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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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/ZDHH-6eda3d6e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZDHH-6eda3d6e/inputs/seq.fa: 1 curr_seq: _GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCUGCAGCUCUCCAGGAGUUCCACACGGGCCCAGUGCUGCCCCUGCUGCUGCAGGAGCCCCCAGGCGAGGUUCGGCCUUCCUCUCGCCCCUGUGCACCCGGAGAUGCCCACAGCACCAGCACCUGAGCUCACCUCCGAACCCGCCUCCUGAACCCGCCUCCUGAACCUGCCUCCUUACCUCCCACUUCCUGAGCCCUGAGUGGAAGCCUUUCUGUGCCUUGCCCUUUGCCCACUCCCCUGGUGGGACUGCCAAGACCCUCAAUGCCCAUUAAAUACUCUUGCCUGCCUCUUA 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 293 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: 1470 n_atoms_counter: 1470 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 293.000000 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: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 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: 1 Temperature: 0.950000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1182.359153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.359153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.359153 (E_RNA) where: Base-Base interactions energy: -42.140 where: short stacking energy: -42.140 Base-Backbone interact. energy: -0.000 local terms energy: -1140.219172 where: bonds (distance) C4'-P energy: -284.672 bonds (distance) P-C4' energy: -263.028 flat angles C4'-P-C4' energy: -215.128 flat angles P-C4'-P energy: -246.083 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1418.975653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.975653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.975653 (E_RNA) where: Base-Base interactions energy: -623.780 where: short stacking energy: -620.498 Base-Backbone interact. energy: -0.276 local terms energy: -794.919048 where: bonds (distance) C4'-P energy: -179.563 bonds (distance) P-C4' energy: -192.736 flat angles C4'-P-C4' energy: -172.803 flat angles P-C4'-P energy: -101.036 tors. eta vs tors. theta energy: -148.781 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1325.549947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.549947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.549947 (E_RNA) where: Base-Base interactions energy: -505.930 where: short stacking energy: -505.151 Base-Backbone interact. energy: -0.011 local terms energy: -819.608638 where: bonds (distance) C4'-P energy: -195.889 bonds (distance) P-C4' energy: -197.817 flat angles C4'-P-C4' energy: -185.838 flat angles P-C4'-P energy: -101.242 tors. eta vs tors. theta energy: -138.823 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1263.451651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.451651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.451651 (E_RNA) where: Base-Base interactions energy: -483.667 where: short stacking energy: -473.305 Base-Backbone interact. energy: -0.170 local terms energy: -779.613725 where: bonds (distance) C4'-P energy: -187.904 bonds (distance) P-C4' energy: -184.534 flat angles C4'-P-C4' energy: -178.023 flat angles P-C4'-P energy: -105.743 tors. eta vs tors. theta energy: -123.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1210.047634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.047634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.047634 (E_RNA) where: Base-Base interactions energy: -490.994 where: short stacking energy: -485.140 Base-Backbone interact. energy: -0.321 local terms energy: -718.732514 where: bonds (distance) C4'-P energy: -163.237 bonds (distance) P-C4' energy: -189.862 flat angles C4'-P-C4' energy: -155.162 flat angles P-C4'-P energy: -92.655 tors. eta vs tors. theta energy: -117.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1196.481345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.481345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.481345 (E_RNA) where: Base-Base interactions energy: -99.333 where: short stacking energy: -99.333 Base-Backbone interact. energy: -0.000 local terms energy: -1097.148180 where: bonds (distance) C4'-P energy: -264.012 bonds (distance) P-C4' energy: -235.637 flat angles C4'-P-C4' energy: -217.723 flat angles P-C4'-P energy: -239.388 tors. eta vs tors. theta energy: -140.389 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1198.297548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.297548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.297548 (E_RNA) where: Base-Base interactions energy: -139.573 where: short stacking energy: -139.573 Base-Backbone interact. energy: -0.000 local terms energy: -1058.723827 where: bonds (distance) C4'-P energy: -235.464 bonds (distance) P-C4' energy: -226.334 flat angles C4'-P-C4' energy: -220.762 flat angles P-C4'-P energy: -232.549 tors. eta vs tors. theta energy: -143.614 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1191.692247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.692247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.692247 (E_RNA) where: Base-Base interactions energy: -101.425 where: short stacking energy: -101.425 Base-Backbone interact. energy: -0.000 local terms energy: -1090.266713 where: bonds (distance) C4'-P energy: -257.313 bonds (distance) P-C4' energy: -234.771 flat angles C4'-P-C4' energy: -219.559 flat angles P-C4'-P energy: -238.007 tors. eta vs tors. theta energy: -140.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1188.124121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.124121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.124121 (E_RNA) where: Base-Base interactions energy: -101.622 where: short stacking energy: -101.622 Base-Backbone interact. energy: -0.000 local terms energy: -1086.501432 where: bonds (distance) C4'-P energy: -256.442 bonds (distance) P-C4' energy: -230.807 flat angles C4'-P-C4' energy: -220.255 flat angles P-C4'-P energy: -236.278 tors. eta vs tors. theta energy: -142.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1184.265507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.265507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.265507 (E_RNA) where: Base-Base interactions energy: -89.195 where: short stacking energy: -89.195 Base-Backbone interact. energy: -0.000 local terms energy: -1095.070664 where: bonds (distance) C4'-P energy: -262.108 bonds (distance) P-C4' energy: -237.072 flat angles C4'-P-C4' energy: -217.490 flat angles P-C4'-P energy: -241.236 tors. eta vs tors. theta energy: -137.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1184.798951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.798951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.798951 (E_RNA) where: Base-Base interactions energy: -46.005 where: short stacking energy: -46.005 Base-Backbone interact. energy: -0.000 local terms energy: -1138.793925 where: bonds (distance) C4'-P energy: -284.031 bonds (distance) P-C4' energy: -263.018 flat angles C4'-P-C4' energy: -214.346 flat angles P-C4'-P energy: -245.605 tors. eta vs tors. theta energy: -131.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1467.880485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.880485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.880485 (E_RNA) where: Base-Base interactions energy: -643.128 where: short stacking energy: -641.098 Base-Backbone interact. energy: -0.365 local terms energy: -824.387042 where: bonds (distance) C4'-P energy: -177.988 bonds (distance) P-C4' energy: -182.186 flat angles C4'-P-C4' energy: -191.888 flat angles P-C4'-P energy: -102.664 tors. eta vs tors. theta energy: -169.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1426.896815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.896815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.896815 (E_RNA) where: Base-Base interactions energy: -621.739 where: short stacking energy: -617.423 Base-Backbone interact. energy: -0.280 local terms energy: -804.878057 where: bonds (distance) C4'-P energy: -179.852 bonds (distance) P-C4' energy: -192.176 flat angles C4'-P-C4' energy: -163.079 flat angles P-C4'-P energy: -119.307 tors. eta vs tors. theta energy: -150.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1305.086926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.086926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.086926 (E_RNA) where: Base-Base interactions energy: -553.637 where: short stacking energy: -551.927 Base-Backbone interact. energy: 1.278 local terms energy: -752.727636 where: bonds (distance) C4'-P energy: -160.812 bonds (distance) P-C4' energy: -164.286 flat angles C4'-P-C4' energy: -183.031 flat angles P-C4'-P energy: -104.977 tors. eta vs tors. theta energy: -139.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1226.594436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.594436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.594436 (E_RNA) where: Base-Base interactions energy: -509.891 where: short stacking energy: -503.106 Base-Backbone interact. energy: 0.021 local terms energy: -716.724798 where: bonds (distance) C4'-P energy: -155.633 bonds (distance) P-C4' energy: -185.274 flat angles C4'-P-C4' energy: -171.980 flat angles P-C4'-P energy: -89.291 tors. eta vs tors. theta energy: -114.547 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1064.309436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.309436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.309436 (E_RNA) where: Base-Base interactions energy: -404.759 where: short stacking energy: -399.921 Base-Backbone interact. energy: 0.677 local terms energy: -660.226695 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -182.680 flat angles C4'-P-C4' energy: -154.839 flat angles P-C4'-P energy: -98.248 tors. eta vs tors. theta energy: -67.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1017.007718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.007718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.007718 (E_RNA) where: Base-Base interactions energy: -421.330 where: short stacking energy: -347.113 Base-Backbone interact. energy: 3.387 local terms energy: -599.063996 where: bonds (distance) C4'-P energy: -154.263 bonds (distance) P-C4' energy: -182.603 flat angles C4'-P-C4' energy: -157.220 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: -28.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -958.952667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.952667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.952667 (E_RNA) where: Base-Base interactions energy: -356.373 where: short stacking energy: -346.668 Base-Backbone interact. energy: 2.439 local terms energy: -605.018777 where: bonds (distance) C4'-P energy: -155.528 bonds (distance) P-C4' energy: -169.834 flat angles C4'-P-C4' energy: -151.092 flat angles P-C4'-P energy: -81.055 tors. eta vs tors. theta energy: -47.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -845.742029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.742029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.742029 (E_RNA) where: Base-Base interactions energy: -313.810 where: short stacking energy: -310.591 Base-Backbone interact. energy: 0.701 local terms energy: -532.633572 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -161.908 flat angles C4'-P-C4' energy: -118.382 flat angles P-C4'-P energy: -72.869 tors. eta vs tors. theta energy: -23.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -767.933055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.933055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.933055 (E_RNA) where: Base-Base interactions energy: -272.544 where: short stacking energy: -252.930 Base-Backbone interact. energy: -3.351 local terms energy: -492.037552 where: bonds (distance) C4'-P energy: -148.122 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -125.686 flat angles P-C4'-P energy: -80.400 tors. eta vs tors. theta energy: -6.596 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: 3 Temperature: 1.350000 Total energy: -713.091433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.091433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.091433 (E_RNA) where: Base-Base interactions energy: -250.492 where: short stacking energy: -233.074 Base-Backbone interact. energy: -0.284 local terms energy: -462.314974 where: bonds (distance) C4'-P energy: -144.485 bonds (distance) P-C4' energy: -157.485 flat angles C4'-P-C4' energy: -119.350 flat angles P-C4'-P energy: -64.813 tors. eta vs tors. theta energy: 23.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1491.487288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.487288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.487288 (E_RNA) where: Base-Base interactions energy: -648.700 where: short stacking energy: -638.564 Base-Backbone interact. energy: -0.398 local terms energy: -842.389097 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -189.162 flat angles C4'-P-C4' energy: -185.402 flat angles P-C4'-P energy: -126.981 tors. eta vs tors. theta energy: -165.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1385.006583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.006583 (E_RNA) where: Base-Base interactions energy: -604.978 where: short stacking energy: -597.995 Base-Backbone interact. energy: -1.014 local terms energy: -779.014596 where: bonds (distance) C4'-P energy: -168.133 bonds (distance) P-C4' energy: -175.166 flat angles C4'-P-C4' energy: -175.529 flat angles P-C4'-P energy: -116.796 tors. eta vs tors. theta energy: -143.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1341.562360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.562360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.562360 (E_RNA) where: Base-Base interactions energy: -588.669 where: short stacking energy: -550.646 Base-Backbone interact. energy: 1.481 local terms energy: -754.374386 where: bonds (distance) C4'-P energy: -169.174 bonds (distance) P-C4' energy: -176.512 flat angles C4'-P-C4' energy: -186.358 flat angles P-C4'-P energy: -108.809 tors. eta vs tors. theta energy: -113.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1230.122115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.122115 (E_RNA) where: Base-Base interactions energy: -535.177 where: short stacking energy: -516.869 Base-Backbone interact. energy: 0.973 local terms energy: -695.918509 where: bonds (distance) C4'-P energy: -176.871 bonds (distance) P-C4' energy: -148.020 flat angles C4'-P-C4' energy: -173.123 flat angles P-C4'-P energy: -97.395 tors. eta vs tors. theta energy: -100.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1118.638863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.638863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.638863 (E_RNA) where: Base-Base interactions energy: -449.050 where: short stacking energy: -442.803 Base-Backbone interact. energy: 0.846 local terms energy: -670.435303 where: bonds (distance) C4'-P energy: -157.462 bonds (distance) P-C4' energy: -176.134 flat angles C4'-P-C4' energy: -153.996 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -88.573 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: 4 Temperature: 1.150000 Total energy: -1019.945925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.945925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.945925 (E_RNA) where: Base-Base interactions energy: -434.224 where: short stacking energy: -367.893 Base-Backbone interact. energy: 2.367 local terms energy: -588.089489 where: bonds (distance) C4'-P energy: -166.362 bonds (distance) P-C4' energy: -176.036 flat angles C4'-P-C4' energy: -147.487 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -37.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -946.484291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.484291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.484291 (E_RNA) where: Base-Base interactions energy: -360.203 where: short stacking energy: -346.877 Base-Backbone interact. energy: 3.210 local terms energy: -589.491076 where: bonds (distance) C4'-P energy: -149.375 bonds (distance) P-C4' energy: -160.553 flat angles C4'-P-C4' energy: -149.026 flat angles P-C4'-P energy: -84.602 tors. eta vs tors. theta energy: -45.935 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -806.360277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.360277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.360277 (E_RNA) where: Base-Base interactions energy: -320.535 where: short stacking energy: -292.802 Base-Backbone interact. energy: 1.418 local terms energy: -487.243169 where: bonds (distance) C4'-P energy: -162.198 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -132.129 flat angles P-C4'-P energy: -65.653 tors. eta vs tors. theta energy: 7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -751.797362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.797362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.797362 (E_RNA) where: Base-Base interactions energy: -239.811 where: short stacking energy: -221.571 Base-Backbone interact. energy: 2.075 local terms energy: -514.061213 where: bonds (distance) C4'-P energy: -155.408 bonds (distance) P-C4' energy: -145.587 flat angles C4'-P-C4' energy: -126.451 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: 9.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -680.180144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.180144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.180144 (E_RNA) where: Base-Base interactions energy: -237.600 where: short stacking energy: -222.225 Base-Backbone interact. energy: 2.443 local terms energy: -445.024056 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -168.597 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: 11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1543.913809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.913809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.913809 (E_RNA) where: Base-Base interactions energy: -690.967 where: short stacking energy: -681.594 Base-Backbone interact. energy: -0.195 local terms energy: -852.751666 where: bonds (distance) C4'-P energy: -180.719 bonds (distance) P-C4' energy: -190.767 flat angles C4'-P-C4' energy: -194.474 flat angles P-C4'-P energy: -105.932 tors. eta vs tors. theta energy: -180.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1480.264317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.264317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.264317 (E_RNA) where: Base-Base interactions energy: -687.479 where: short stacking energy: -610.366 Base-Backbone interact. energy: 1.071 local terms energy: -793.856450 where: bonds (distance) C4'-P energy: -180.651 bonds (distance) P-C4' energy: -190.403 flat angles C4'-P-C4' energy: -163.154 flat angles P-C4'-P energy: -113.223 tors. eta vs tors. theta energy: -146.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1347.663453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.663453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.663453 (E_RNA) where: Base-Base interactions energy: -583.338 where: short stacking energy: -537.851 Base-Backbone interact. energy: -1.554 local terms energy: -762.771650 where: bonds (distance) C4'-P energy: -182.026 bonds (distance) P-C4' energy: -165.478 flat angles C4'-P-C4' energy: -173.566 flat angles P-C4'-P energy: -115.174 tors. eta vs tors. theta energy: -126.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1216.323136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.323136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.323136 (E_RNA) where: Base-Base interactions energy: -486.821 where: short stacking energy: -460.394 Base-Backbone interact. energy: 0.241 local terms energy: -729.743076 where: bonds (distance) C4'-P energy: -156.367 bonds (distance) P-C4' energy: -173.894 flat angles C4'-P-C4' energy: -181.663 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -106.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1094.296670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.296670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.296670 (E_RNA) where: Base-Base interactions energy: -445.504 where: short stacking energy: -426.585 Base-Backbone interact. energy: -0.352 local terms energy: -648.440668 where: bonds (distance) C4'-P energy: -156.877 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -169.856 flat angles P-C4'-P energy: -83.360 tors. eta vs tors. theta energy: -82.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1080.897161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.897161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.897161 (E_RNA) where: Base-Base interactions energy: -443.681 where: short stacking energy: -402.313 Base-Backbone interact. energy: 3.963 local terms energy: -641.179530 where: bonds (distance) C4'-P energy: -164.055 bonds (distance) P-C4' energy: -152.060 flat angles C4'-P-C4' energy: -168.444 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -73.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -928.145052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.145052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.145052 (E_RNA) where: Base-Base interactions energy: -391.673 where: short stacking energy: -334.039 Base-Backbone interact. energy: 2.569 local terms energy: -539.041313 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -160.862 flat angles C4'-P-C4' energy: -139.604 flat angles P-C4'-P energy: -60.009 tors. eta vs tors. theta energy: -23.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -783.321402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.321402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.321402 (E_RNA) where: Base-Base interactions energy: -289.721 where: short stacking energy: -234.759 Base-Backbone interact. energy: 1.320 local terms energy: -494.920432 where: bonds (distance) C4'-P energy: -144.988 bonds (distance) P-C4' energy: -154.219 flat angles C4'-P-C4' energy: -139.241 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: 16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -766.942583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.942583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.942583 (E_RNA) where: Base-Base interactions energy: -309.241 where: short stacking energy: -254.178 Base-Backbone interact. energy: -1.353 local terms energy: -456.348742 where: bonds (distance) C4'-P energy: -125.116 bonds (distance) P-C4' energy: -144.689 flat angles C4'-P-C4' energy: -125.952 flat angles P-C4'-P energy: -72.070 tors. eta vs tors. theta energy: 11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -752.619850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.619850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.619850 (E_RNA) where: Base-Base interactions energy: -280.547 where: short stacking energy: -252.380 Base-Backbone interact. energy: 2.024 local terms energy: -474.096553 where: bonds (distance) C4'-P energy: -161.899 bonds (distance) P-C4' energy: -137.661 flat angles C4'-P-C4' energy: -133.580 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: 6.653 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1537.141236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.141236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.141236 (E_RNA) where: Base-Base interactions energy: -686.096 where: short stacking energy: -669.475 Base-Backbone interact. energy: -2.596 local terms energy: -848.449246 where: bonds (distance) C4'-P energy: -180.007 bonds (distance) P-C4' energy: -193.787 flat angles C4'-P-C4' energy: -188.946 flat angles P-C4'-P energy: -118.280 tors. eta vs tors. theta energy: -167.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1497.668342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.668342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.668342 (E_RNA) where: Base-Base interactions energy: -725.579 where: short stacking energy: -606.433 Base-Backbone interact. energy: 0.905 local terms energy: -772.995068 where: bonds (distance) C4'-P energy: -174.872 bonds (distance) P-C4' energy: -188.724 flat angles C4'-P-C4' energy: -181.808 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: -133.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1380.642603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.642603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.642603 (E_RNA) where: Base-Base interactions energy: -628.529 where: short stacking energy: -532.637 Base-Backbone interact. energy: 0.441 local terms energy: -752.554469 where: bonds (distance) C4'-P energy: -177.249 bonds (distance) P-C4' energy: -177.501 flat angles C4'-P-C4' energy: -179.213 flat angles P-C4'-P energy: -99.399 tors. eta vs tors. theta energy: -119.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1253.367948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.367948 (E_RNA) where: Base-Base interactions energy: -568.932 where: short stacking energy: -479.311 Base-Backbone interact. energy: -0.015 local terms energy: -684.420549 where: bonds (distance) C4'-P energy: -154.154 bonds (distance) P-C4' energy: -167.848 flat angles C4'-P-C4' energy: -163.041 flat angles P-C4'-P energy: -104.023 tors. eta vs tors. theta energy: -95.354 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: 2 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1059.721441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.721441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.721441 (E_RNA) where: Base-Base interactions energy: -432.795 where: short stacking energy: -384.127 Base-Backbone interact. energy: 3.264 local terms energy: -630.190307 where: bonds (distance) C4'-P energy: -165.157 bonds (distance) P-C4' energy: -163.609 flat angles C4'-P-C4' energy: -177.545 flat angles P-C4'-P energy: -76.534 tors. eta vs tors. theta energy: -47.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1065.914782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.914782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.914782 (E_RNA) where: Base-Base interactions energy: -469.828 where: short stacking energy: -347.266 Base-Backbone interact. energy: 4.059 local terms energy: -600.146575 where: bonds (distance) C4'-P energy: -143.663 bonds (distance) P-C4' energy: -165.480 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -82.104 tors. eta vs tors. theta energy: -53.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -958.210775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.210775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.210775 (E_RNA) where: Base-Base interactions energy: -391.788 where: short stacking energy: -293.973 Base-Backbone interact. energy: 1.512 local terms energy: -567.934373 where: bonds (distance) C4'-P energy: -144.363 bonds (distance) P-C4' energy: -168.785 flat angles C4'-P-C4' energy: -143.092 flat angles P-C4'-P energy: -82.552 tors. eta vs tors. theta energy: -29.142 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: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -866.435373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.435373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.435373 (E_RNA) where: Base-Base interactions energy: -354.994 where: short stacking energy: -307.031 Base-Backbone interact. energy: 2.739 local terms energy: -514.180480 where: bonds (distance) C4'-P energy: -125.622 bonds (distance) P-C4' energy: -159.591 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -89.451 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -764.253072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.253072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.253072 (E_RNA) where: Base-Base interactions energy: -269.798 where: short stacking energy: -188.004 Base-Backbone interact. energy: 1.244 local terms energy: -495.699767 where: bonds (distance) C4'-P energy: -157.353 bonds (distance) P-C4' energy: -162.909 flat angles C4'-P-C4' energy: -112.221 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: 14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -655.666343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.666343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.666343 (E_RNA) where: Base-Base interactions energy: -197.483 where: short stacking energy: -161.824 Base-Backbone interact. energy: 9.357 local terms energy: -467.540804 where: bonds (distance) C4'-P energy: -135.533 bonds (distance) P-C4' energy: -143.671 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: 47.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1610.596803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.596803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.596803 (E_RNA) where: Base-Base interactions energy: -729.896 where: short stacking energy: -721.146 Base-Backbone interact. energy: -1.078 local terms energy: -879.622524 where: bonds (distance) C4'-P energy: -165.948 bonds (distance) P-C4' energy: -178.388 flat angles C4'-P-C4' energy: -203.299 flat angles P-C4'-P energy: -137.525 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: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1521.306869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.306869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.306869 (E_RNA) where: Base-Base interactions energy: -789.811 where: short stacking energy: -597.779 Base-Backbone interact. energy: 2.892 local terms energy: -734.387797 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -187.439 flat angles C4'-P-C4' energy: -182.763 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -122.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1474.678544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.678544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.678544 (E_RNA) where: Base-Base interactions energy: -689.751 where: short stacking energy: -567.062 Base-Backbone interact. energy: 3.469 local terms energy: -788.396283 where: bonds (distance) C4'-P energy: -171.044 bonds (distance) P-C4' energy: -170.829 flat angles C4'-P-C4' energy: -187.357 flat angles P-C4'-P energy: -121.833 tors. eta vs tors. theta energy: -137.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1357.808847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.808847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.808847 (E_RNA) where: Base-Base interactions energy: -659.222 where: short stacking energy: -501.151 Base-Backbone interact. energy: -0.408 local terms energy: -698.179025 where: bonds (distance) C4'-P energy: -179.494 bonds (distance) P-C4' energy: -167.806 flat angles C4'-P-C4' energy: -158.958 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -100.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1142.514750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.514750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.514750 (E_RNA) where: Base-Base interactions energy: -502.092 where: short stacking energy: -416.632 Base-Backbone interact. energy: 0.203 local terms energy: -640.625743 where: bonds (distance) C4'-P energy: -142.165 bonds (distance) P-C4' energy: -170.277 flat angles C4'-P-C4' energy: -163.052 flat angles P-C4'-P energy: -98.135 tors. eta vs tors. theta energy: -66.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1062.572910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.572910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.572910 (E_RNA) where: Base-Base interactions energy: -487.207 where: short stacking energy: -369.426 Base-Backbone interact. energy: -0.582 local terms energy: -574.784401 where: bonds (distance) C4'-P energy: -147.972 bonds (distance) P-C4' energy: -158.556 flat angles C4'-P-C4' energy: -157.250 flat angles P-C4'-P energy: -81.098 tors. eta vs tors. theta energy: -29.908 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1014.108261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.108261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.108261 (E_RNA) where: Base-Base interactions energy: -436.978 where: short stacking energy: -344.031 Base-Backbone interact. energy: 2.481 local terms energy: -579.611096 where: bonds (distance) C4'-P energy: -131.027 bonds (distance) P-C4' energy: -175.748 flat angles C4'-P-C4' energy: -142.959 flat angles P-C4'-P energy: -91.362 tors. eta vs tors. theta energy: -38.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -845.833050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.833050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.833050 (E_RNA) where: Base-Base interactions energy: -304.433 where: short stacking energy: -263.829 Base-Backbone interact. energy: 0.748 local terms energy: -542.148079 where: bonds (distance) C4'-P energy: -156.334 bonds (distance) P-C4' energy: -163.742 flat angles C4'-P-C4' energy: -139.976 flat angles P-C4'-P energy: -76.552 tors. eta vs tors. theta energy: -5.545 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: 7 Temperature: 1.300000 Total energy: -820.418434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.418434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.418434 (E_RNA) where: Base-Base interactions energy: -325.772 where: short stacking energy: -271.007 Base-Backbone interact. energy: 10.464 local terms energy: -505.110457 where: bonds (distance) C4'-P energy: -137.163 bonds (distance) P-C4' energy: -155.820 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -84.568 tors. eta vs tors. theta energy: 4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -735.465614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.465614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.465614 (E_RNA) where: Base-Base interactions energy: -287.562 where: short stacking energy: -218.055 Base-Backbone interact. energy: -0.668 local terms energy: -447.235651 where: bonds (distance) C4'-P energy: -131.148 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -123.143 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: 0.761 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1600.863885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.863885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.863885 (E_RNA) where: Base-Base interactions energy: -713.933 where: short stacking energy: -709.785 Base-Backbone interact. energy: -0.665 local terms energy: -886.265929 where: bonds (distance) C4'-P energy: -189.796 bonds (distance) P-C4' energy: -181.734 flat angles C4'-P-C4' energy: -198.349 flat angles P-C4'-P energy: -129.547 tors. eta vs tors. theta energy: -186.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1589.069639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.069639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.069639 (E_RNA) where: Base-Base interactions energy: -789.285 where: short stacking energy: -603.809 Base-Backbone interact. energy: -3.739 local terms energy: -796.044806 where: bonds (distance) C4'-P energy: -159.484 bonds (distance) P-C4' energy: -171.389 flat angles C4'-P-C4' energy: -194.586 flat angles P-C4'-P energy: -111.992 tors. eta vs tors. theta energy: -158.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1552.595182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.595182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.595182 (E_RNA) where: Base-Base interactions energy: -787.325 where: short stacking energy: -588.912 Base-Backbone interact. energy: -1.060 local terms energy: -764.210608 where: bonds (distance) C4'-P energy: -161.424 bonds (distance) P-C4' energy: -177.395 flat angles C4'-P-C4' energy: -181.334 flat angles P-C4'-P energy: -110.126 tors. eta vs tors. theta energy: -133.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1360.685458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.685458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.685458 (E_RNA) where: Base-Base interactions energy: -659.751 where: short stacking energy: -477.655 Base-Backbone interact. energy: -6.998 local terms energy: -693.935961 where: bonds (distance) C4'-P energy: -151.410 bonds (distance) P-C4' energy: -189.913 flat angles C4'-P-C4' energy: -170.922 flat angles P-C4'-P energy: -95.984 tors. eta vs tors. theta energy: -85.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1237.695083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.695083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.695083 (E_RNA) where: Base-Base interactions energy: -549.107 where: short stacking energy: -425.367 Base-Backbone interact. energy: -0.720 local terms energy: -687.868493 where: bonds (distance) C4'-P energy: -164.829 bonds (distance) P-C4' energy: -168.142 flat angles C4'-P-C4' energy: -167.468 flat angles P-C4'-P energy: -106.036 tors. eta vs tors. theta energy: -81.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1149.730180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.730180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.730180 (E_RNA) where: Base-Base interactions energy: -545.777 where: short stacking energy: -349.143 Base-Backbone interact. energy: -1.081 local terms energy: -602.871556 where: bonds (distance) C4'-P energy: -159.913 bonds (distance) P-C4' energy: -145.539 flat angles C4'-P-C4' energy: -157.232 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -42.947 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: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -954.438299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.438299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.438299 (E_RNA) where: Base-Base interactions energy: -402.046 where: short stacking energy: -299.897 Base-Backbone interact. energy: -0.710 local terms energy: -551.682730 where: bonds (distance) C4'-P energy: -164.413 bonds (distance) P-C4' energy: -150.875 flat angles C4'-P-C4' energy: -136.521 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -23.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -817.357367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.357367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.357367 (E_RNA) where: Base-Base interactions energy: -314.018 where: short stacking energy: -255.419 Base-Backbone interact. energy: 2.093 local terms energy: -505.433125 where: bonds (distance) C4'-P energy: -154.708 bonds (distance) P-C4' energy: -144.305 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -60.941 tors. eta vs tors. theta energy: -5.856 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -819.300825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.300825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.300825 (E_RNA) where: Base-Base interactions energy: -303.798 where: short stacking energy: -233.814 Base-Backbone interact. energy: 0.849 local terms energy: -516.351607 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -161.829 flat angles C4'-P-C4' energy: -155.789 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: 6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -714.364047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.364047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.364047 (E_RNA) where: Base-Base interactions energy: -255.126 where: short stacking energy: -217.864 Base-Backbone interact. energy: 2.897 local terms energy: -462.134871 where: bonds (distance) C4'-P energy: -153.574 bonds (distance) P-C4' energy: -145.110 flat angles C4'-P-C4' energy: -125.862 flat angles P-C4'-P energy: -61.847 tors. eta vs tors. theta energy: 24.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1601.810702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.810702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.810702 (E_RNA) where: Base-Base interactions energy: -708.211 where: short stacking energy: -685.251 Base-Backbone interact. energy: -0.134 local terms energy: -893.465939 where: bonds (distance) C4'-P energy: -191.620 bonds (distance) P-C4' energy: -200.176 flat angles C4'-P-C4' energy: -195.546 flat angles P-C4'-P energy: -118.382 tors. eta vs tors. theta energy: -187.741 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: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1586.829951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.829951 (E_RNA) where: Base-Base interactions energy: -827.399 where: short stacking energy: -654.137 Base-Backbone interact. energy: -0.581 local terms energy: -758.849597 where: bonds (distance) C4'-P energy: -183.525 bonds (distance) P-C4' energy: -167.318 flat angles C4'-P-C4' energy: -175.159 flat angles P-C4'-P energy: -98.078 tors. eta vs tors. theta energy: -134.770 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1589.419586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.419586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.419586 (E_RNA) where: Base-Base interactions energy: -819.226 where: short stacking energy: -574.261 Base-Backbone interact. energy: 6.236 local terms energy: -776.429357 where: bonds (distance) C4'-P energy: -169.029 bonds (distance) P-C4' energy: -170.170 flat angles C4'-P-C4' energy: -173.379 flat angles P-C4'-P energy: -138.730 tors. eta vs tors. theta energy: -125.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1367.206608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.206608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.206608 (E_RNA) where: Base-Base interactions energy: -681.580 where: short stacking energy: -477.195 Base-Backbone interact. energy: -2.957 local terms energy: -682.669870 where: bonds (distance) C4'-P energy: -158.248 bonds (distance) P-C4' energy: -190.400 flat angles C4'-P-C4' energy: -152.040 flat angles P-C4'-P energy: -96.773 tors. eta vs tors. theta energy: -85.209 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: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1257.513522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.513522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.513522 (E_RNA) where: Base-Base interactions energy: -645.396 where: short stacking energy: -463.166 Base-Backbone interact. energy: 4.481 local terms energy: -616.598038 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -167.012 flat angles C4'-P-C4' energy: -154.903 flat angles P-C4'-P energy: -89.557 tors. eta vs tors. theta energy: -75.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1240.634473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.634473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.634473 (E_RNA) where: Base-Base interactions energy: -630.910 where: short stacking energy: -358.084 Base-Backbone interact. energy: -0.141 local terms energy: -609.583523 where: bonds (distance) C4'-P energy: -164.347 bonds (distance) P-C4' energy: -149.074 flat angles C4'-P-C4' energy: -156.360 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -47.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1011.420982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.420982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.420982 (E_RNA) where: Base-Base interactions energy: -434.016 where: short stacking energy: -330.701 Base-Backbone interact. energy: 3.040 local terms energy: -580.445727 where: bonds (distance) C4'-P energy: -144.148 bonds (distance) P-C4' energy: -183.513 flat angles C4'-P-C4' energy: -152.624 flat angles P-C4'-P energy: -64.178 tors. eta vs tors. theta energy: -35.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -931.265937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.265937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.265937 (E_RNA) where: Base-Base interactions energy: -413.405 where: short stacking energy: -316.186 Base-Backbone interact. energy: 4.344 local terms energy: -522.204971 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -164.962 flat angles C4'-P-C4' energy: -129.152 flat angles P-C4'-P energy: -78.577 tors. eta vs tors. theta energy: -23.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -777.427176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.427176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.427176 (E_RNA) where: Base-Base interactions energy: -307.388 where: short stacking energy: -257.562 Base-Backbone interact. energy: 1.449 local terms energy: -471.488159 where: bonds (distance) C4'-P energy: -121.119 bonds (distance) P-C4' energy: -159.259 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -81.454 tors. eta vs tors. theta energy: 10.846 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: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -782.359536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.359536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.359536 (E_RNA) where: Base-Base interactions energy: -329.114 where: short stacking energy: -238.076 Base-Backbone interact. energy: 3.073 local terms energy: -456.318792 where: bonds (distance) C4'-P energy: -125.059 bonds (distance) P-C4' energy: -143.670 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -85.502 tors. eta vs tors. theta energy: 14.222 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: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1753.331152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.331152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.331152 (E_RNA) where: Base-Base interactions energy: -905.697 where: short stacking energy: -665.249 Base-Backbone interact. energy: -1.824 local terms energy: -845.810983 where: bonds (distance) C4'-P energy: -178.065 bonds (distance) P-C4' energy: -193.183 flat angles C4'-P-C4' energy: -188.553 flat angles P-C4'-P energy: -113.479 tors. eta vs tors. theta energy: -172.531 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: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1528.206650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.206650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.206650 (E_RNA) where: Base-Base interactions energy: -702.511 where: short stacking energy: -624.507 Base-Backbone interact. energy: -0.620 local terms energy: -825.075315 where: bonds (distance) C4'-P energy: -183.166 bonds (distance) P-C4' energy: -180.457 flat angles C4'-P-C4' energy: -197.458 flat angles P-C4'-P energy: -107.630 tors. eta vs tors. theta energy: -156.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1613.575768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.575768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.575768 (E_RNA) where: Base-Base interactions energy: -848.607 where: short stacking energy: -613.773 Base-Backbone interact. energy: 2.452 local terms energy: -767.419885 where: bonds (distance) C4'-P energy: -179.233 bonds (distance) P-C4' energy: -160.766 flat angles C4'-P-C4' energy: -173.845 flat angles P-C4'-P energy: -112.965 tors. eta vs tors. theta energy: -140.611 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: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1440.286124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.286124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.286124 (E_RNA) where: Base-Base interactions energy: -737.638 where: short stacking energy: -514.073 Base-Backbone interact. energy: -2.704 local terms energy: -699.944044 where: bonds (distance) C4'-P energy: -158.547 bonds (distance) P-C4' energy: -161.776 flat angles C4'-P-C4' energy: -168.104 flat angles P-C4'-P energy: -114.746 tors. eta vs tors. theta energy: -96.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1437.669492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.669492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.669492 (E_RNA) where: Base-Base interactions energy: -761.530 where: short stacking energy: -482.903 Base-Backbone interact. energy: 2.849 local terms energy: -678.988294 where: bonds (distance) C4'-P energy: -152.947 bonds (distance) P-C4' energy: -171.120 flat angles C4'-P-C4' energy: -177.151 flat angles P-C4'-P energy: -101.157 tors. eta vs tors. theta energy: -76.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1121.578033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.578033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.578033 (E_RNA) where: Base-Base interactions energy: -525.875 where: short stacking energy: -368.765 Base-Backbone interact. energy: 3.724 local terms energy: -599.427324 where: bonds (distance) C4'-P energy: -143.741 bonds (distance) P-C4' energy: -172.480 flat angles C4'-P-C4' energy: -144.075 flat angles P-C4'-P energy: -89.018 tors. eta vs tors. theta energy: -50.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1155.720221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.720221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.720221 (E_RNA) where: Base-Base interactions energy: -566.170 where: short stacking energy: -391.954 Base-Backbone interact. energy: -1.642 local terms energy: -587.909032 where: bonds (distance) C4'-P energy: -151.326 bonds (distance) P-C4' energy: -168.529 flat angles C4'-P-C4' energy: -123.043 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -52.001 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: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -973.494149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.494149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.494149 (E_RNA) where: Base-Base interactions energy: -425.931 where: short stacking energy: -300.397 Base-Backbone interact. energy: 2.302 local terms energy: -549.865468 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -152.010 flat angles C4'-P-C4' energy: -146.900 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -12.777 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: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -758.692177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.692177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.692177 (E_RNA) where: Base-Base interactions energy: -280.216 where: short stacking energy: -239.565 Base-Backbone interact. energy: 4.121 local terms energy: -482.597679 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -164.654 flat angles C4'-P-C4' energy: -124.228 flat angles P-C4'-P energy: -76.706 tors. eta vs tors. theta energy: 16.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -776.752578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.752578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.752578 (E_RNA) where: Base-Base interactions energy: -301.460 where: short stacking energy: -228.481 Base-Backbone interact. energy: -1.272 local terms energy: -474.020329 where: bonds (distance) C4'-P energy: -132.745 bonds (distance) P-C4' energy: -141.146 flat angles C4'-P-C4' energy: -129.286 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: 2.092 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: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1820.384055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.384055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.384055 (E_RNA) where: Base-Base interactions energy: -979.202 where: short stacking energy: -715.224 Base-Backbone interact. energy: -1.779 local terms energy: -839.402808 where: bonds (distance) C4'-P energy: -188.729 bonds (distance) P-C4' energy: -173.877 flat angles C4'-P-C4' energy: -187.492 flat angles P-C4'-P energy: -110.234 tors. eta vs tors. theta energy: -179.071 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1753.423149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.423149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.423149 (E_RNA) where: Base-Base interactions energy: -976.527 where: short stacking energy: -651.807 Base-Backbone interact. energy: -1.115 local terms energy: -775.781820 where: bonds (distance) C4'-P energy: -171.993 bonds (distance) P-C4' energy: -176.967 flat angles C4'-P-C4' energy: -175.608 flat angles P-C4'-P energy: -106.305 tors. eta vs tors. theta energy: -144.910 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: 11 Temperature: 1.000000 Total energy: -1509.577927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.577927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.577927 (E_RNA) where: Base-Base interactions energy: -740.894 where: short stacking energy: -616.417 Base-Backbone interact. energy: -1.220 local terms energy: -767.463791 where: bonds (distance) C4'-P energy: -156.475 bonds (distance) P-C4' energy: -178.213 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -113.465 tors. eta vs tors. theta energy: -145.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1614.606815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.606815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.606815 (E_RNA) where: Base-Base interactions energy: -863.928 where: short stacking energy: -575.756 Base-Backbone interact. energy: -1.351 local terms energy: -749.327757 where: bonds (distance) C4'-P energy: -158.454 bonds (distance) P-C4' energy: -180.351 flat angles C4'-P-C4' energy: -172.208 flat angles P-C4'-P energy: -113.467 tors. eta vs tors. theta energy: -124.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1306.909336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.909336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.909336 (E_RNA) where: Base-Base interactions energy: -651.387 where: short stacking energy: -435.245 Base-Backbone interact. energy: 0.056 local terms energy: -655.578381 where: bonds (distance) C4'-P energy: -159.802 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -97.389 tors. eta vs tors. theta energy: -82.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1172.585950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.585950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.585950 (E_RNA) where: Base-Base interactions energy: -544.536 where: short stacking energy: -386.578 Base-Backbone interact. energy: 1.745 local terms energy: -629.795109 where: bonds (distance) C4'-P energy: -157.081 bonds (distance) P-C4' energy: -175.676 flat angles C4'-P-C4' energy: -152.548 flat angles P-C4'-P energy: -84.312 tors. eta vs tors. theta energy: -60.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1117.025000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.025000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.025000 (E_RNA) where: Base-Base interactions energy: -496.262 where: short stacking energy: -326.486 Base-Backbone interact. energy: -1.980 local terms energy: -618.782379 where: bonds (distance) C4'-P energy: -161.300 bonds (distance) P-C4' energy: -163.913 flat angles C4'-P-C4' energy: -155.872 flat angles P-C4'-P energy: -95.425 tors. eta vs tors. theta energy: -42.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -980.175168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.175168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.175168 (E_RNA) where: Base-Base interactions energy: -457.382 where: short stacking energy: -302.800 Base-Backbone interact. energy: -2.418 local terms energy: -520.375204 where: bonds (distance) C4'-P energy: -131.347 bonds (distance) P-C4' energy: -174.227 flat angles C4'-P-C4' energy: -118.715 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -20.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -772.181571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.181571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.181571 (E_RNA) where: Base-Base interactions energy: -294.595 where: short stacking energy: -248.220 Base-Backbone interact. energy: -2.356 local terms energy: -475.230899 where: bonds (distance) C4'-P energy: -131.714 bonds (distance) P-C4' energy: -169.697 flat angles C4'-P-C4' energy: -120.175 flat angles P-C4'-P energy: -56.421 tors. eta vs tors. theta energy: 2.775 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -748.936279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.936279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.936279 (E_RNA) where: Base-Base interactions energy: -283.695 where: short stacking energy: -229.652 Base-Backbone interact. energy: 7.089 local terms energy: -472.330260 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -163.380 flat angles C4'-P-C4' energy: -105.439 flat angles P-C4'-P energy: -63.543 tors. eta vs tors. theta energy: 11.878 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: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1920.970942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.970942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.970942 (E_RNA) where: Base-Base interactions energy: -1061.960 where: short stacking energy: -722.979 Base-Backbone interact. energy: 0.192 local terms energy: -859.202882 where: bonds (distance) C4'-P energy: -177.206 bonds (distance) P-C4' energy: -175.678 flat angles C4'-P-C4' energy: -195.929 flat angles P-C4'-P energy: -120.806 tors. eta vs tors. theta energy: -189.583 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1872.653402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.653402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.653402 (E_RNA) where: Base-Base interactions energy: -1072.222 where: short stacking energy: -681.371 Base-Backbone interact. energy: -2.440 local terms energy: -797.992002 where: bonds (distance) C4'-P energy: -169.470 bonds (distance) P-C4' energy: -182.390 flat angles C4'-P-C4' energy: -194.586 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -150.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1809.654554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.654554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.654554 (E_RNA) where: Base-Base interactions energy: -1030.250 where: short stacking energy: -626.670 Base-Backbone interact. energy: -2.267 local terms energy: -777.137848 where: bonds (distance) C4'-P energy: -181.872 bonds (distance) P-C4' energy: -163.891 flat angles C4'-P-C4' energy: -178.643 flat angles P-C4'-P energy: -103.403 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: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1347.501983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.501983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.501983 (E_RNA) where: Base-Base interactions energy: -623.530 where: short stacking energy: -514.951 Base-Backbone interact. energy: 0.439 local terms energy: -724.411762 where: bonds (distance) C4'-P energy: -169.926 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -174.665 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -119.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1369.436454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.436454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.436454 (E_RNA) where: Base-Base interactions energy: -711.454 where: short stacking energy: -439.289 Base-Backbone interact. energy: 3.745 local terms energy: -661.727105 where: bonds (distance) C4'-P energy: -160.050 bonds (distance) P-C4' energy: -178.877 flat angles C4'-P-C4' energy: -153.969 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -80.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1239.415642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.415642 (E_RNA) where: Base-Base interactions energy: -592.752 where: short stacking energy: -368.115 Base-Backbone interact. energy: -1.286 local terms energy: -645.377198 where: bonds (distance) C4'-P energy: -174.084 bonds (distance) P-C4' energy: -138.796 flat angles C4'-P-C4' energy: -155.337 flat angles P-C4'-P energy: -108.236 tors. eta vs tors. theta energy: -68.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1111.448398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.448398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.448398 (E_RNA) where: Base-Base interactions energy: -508.438 where: short stacking energy: -301.414 Base-Backbone interact. energy: 2.963 local terms energy: -605.973606 where: bonds (distance) C4'-P energy: -154.266 bonds (distance) P-C4' energy: -170.730 flat angles C4'-P-C4' energy: -158.965 flat angles P-C4'-P energy: -95.463 tors. eta vs tors. theta energy: -26.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -967.204094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.204094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.204094 (E_RNA) where: Base-Base interactions energy: -395.231 where: short stacking energy: -271.347 Base-Backbone interact. energy: 1.207 local terms energy: -573.179810 where: bonds (distance) C4'-P energy: -153.324 bonds (distance) P-C4' energy: -169.943 flat angles C4'-P-C4' energy: -144.702 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -19.744 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -799.882574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.882574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.882574 (E_RNA) where: Base-Base interactions energy: -301.890 where: short stacking energy: -258.746 Base-Backbone interact. energy: -0.285 local terms energy: -497.707656 where: bonds (distance) C4'-P energy: -130.409 bonds (distance) P-C4' energy: -170.082 flat angles C4'-P-C4' energy: -138.640 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: 11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -707.619683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.619683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.619683 (E_RNA) where: Base-Base interactions energy: -277.161 where: short stacking energy: -184.014 Base-Backbone interact. energy: 0.996 local terms energy: -431.454223 where: bonds (distance) C4'-P energy: -144.548 bonds (distance) P-C4' energy: -155.735 flat angles C4'-P-C4' energy: -121.816 flat angles P-C4'-P energy: -38.254 tors. eta vs tors. theta energy: 28.899 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1878.428851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.428851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.428851 (E_RNA) where: Base-Base interactions energy: -1045.208 where: short stacking energy: -682.692 Base-Backbone interact. energy: 0.891 local terms energy: -834.112096 where: bonds (distance) C4'-P energy: -172.663 bonds (distance) P-C4' energy: -197.546 flat angles C4'-P-C4' energy: -195.794 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -156.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1869.945780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.945780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.945780 (E_RNA) where: Base-Base interactions energy: -1076.698 where: short stacking energy: -709.273 Base-Backbone interact. energy: 1.931 local terms energy: -795.178531 where: bonds (distance) C4'-P energy: -157.031 bonds (distance) P-C4' energy: -162.315 flat angles C4'-P-C4' energy: -177.256 flat angles P-C4'-P energy: -126.090 tors. eta vs tors. theta energy: -172.486 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: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1765.394112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.394112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.394112 (E_RNA) where: Base-Base interactions energy: -1004.604 where: short stacking energy: -586.188 Base-Backbone interact. energy: -3.624 local terms energy: -757.165742 where: bonds (distance) C4'-P energy: -169.879 bonds (distance) P-C4' energy: -164.013 flat angles C4'-P-C4' energy: -177.636 flat angles P-C4'-P energy: -102.932 tors. eta vs tors. theta energy: -142.706 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: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1521.889931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.889931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.889931 (E_RNA) where: Base-Base interactions energy: -820.978 where: short stacking energy: -523.982 Base-Backbone interact. energy: 6.310 local terms energy: -707.221022 where: bonds (distance) C4'-P energy: -159.891 bonds (distance) P-C4' energy: -172.728 flat angles C4'-P-C4' energy: -167.796 flat angles P-C4'-P energy: -87.218 tors. eta vs tors. theta energy: -119.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1183.249997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.249997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.249997 (E_RNA) where: Base-Base interactions energy: -531.748 where: short stacking energy: -410.419 Base-Backbone interact. energy: 3.198 local terms energy: -654.700422 where: bonds (distance) C4'-P energy: -182.152 bonds (distance) P-C4' energy: -172.177 flat angles C4'-P-C4' energy: -153.993 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -69.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1187.616719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.616719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.616719 (E_RNA) where: Base-Base interactions energy: -602.714 where: short stacking energy: -428.038 Base-Backbone interact. energy: 1.132 local terms energy: -586.035048 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -155.416 flat angles C4'-P-C4' energy: -152.270 flat angles P-C4'-P energy: -81.051 tors. eta vs tors. theta energy: -59.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1121.852730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.852730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.852730 (E_RNA) where: Base-Base interactions energy: -503.239 where: short stacking energy: -302.793 Base-Backbone interact. energy: 0.548 local terms energy: -619.161013 where: bonds (distance) C4'-P energy: -155.439 bonds (distance) P-C4' energy: -171.248 flat angles C4'-P-C4' energy: -149.107 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -49.735 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: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1000.886972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.886972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.886972 (E_RNA) where: Base-Base interactions energy: -469.618 where: short stacking energy: -302.892 Base-Backbone interact. energy: -1.935 local terms energy: -529.333197 where: bonds (distance) C4'-P energy: -121.118 bonds (distance) P-C4' energy: -175.538 flat angles C4'-P-C4' energy: -149.578 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -6.425 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -817.534613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.534613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.534613 (E_RNA) where: Base-Base interactions energy: -370.517 where: short stacking energy: -223.600 Base-Backbone interact. energy: 0.578 local terms energy: -447.595176 where: bonds (distance) C4'-P energy: -145.265 bonds (distance) P-C4' energy: -148.688 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: 11.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -733.313145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.313145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.313145 (E_RNA) where: Base-Base interactions energy: -265.183 where: short stacking energy: -184.633 Base-Backbone interact. energy: -4.034 local terms energy: -464.096259 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -149.598 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: 12.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1979.144809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.144809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.144809 (E_RNA) where: Base-Base interactions energy: -1124.374 where: short stacking energy: -678.633 Base-Backbone interact. energy: -2.543 local terms energy: -852.227099 where: bonds (distance) C4'-P energy: -190.649 bonds (distance) P-C4' energy: -195.715 flat angles C4'-P-C4' energy: -186.780 flat angles P-C4'-P energy: -130.611 tors. eta vs tors. theta energy: -148.472 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: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1798.511092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.511092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.511092 (E_RNA) where: Base-Base interactions energy: -1011.189 where: short stacking energy: -638.436 Base-Backbone interact. energy: 0.771 local terms energy: -788.093367 where: bonds (distance) C4'-P energy: -175.521 bonds (distance) P-C4' energy: -179.694 flat angles C4'-P-C4' energy: -174.989 flat angles P-C4'-P energy: -103.650 tors. eta vs tors. theta energy: -154.239 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: 14 Temperature: 1.000000 Total energy: -1810.545734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.545734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.545734 (E_RNA) where: Base-Base interactions energy: -1057.307 where: short stacking energy: -592.005 Base-Backbone interact. energy: -1.351 local terms energy: -751.887534 where: bonds (distance) C4'-P energy: -166.685 bonds (distance) P-C4' energy: -188.967 flat angles C4'-P-C4' energy: -170.608 flat angles P-C4'-P energy: -109.839 tors. eta vs tors. theta energy: -115.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1549.430084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.430084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.430084 (E_RNA) where: Base-Base interactions energy: -821.675 where: short stacking energy: -558.325 Base-Backbone interact. energy: -1.134 local terms energy: -726.621064 where: bonds (distance) C4'-P energy: -148.759 bonds (distance) P-C4' energy: -174.780 flat angles C4'-P-C4' energy: -173.358 flat angles P-C4'-P energy: -111.566 tors. eta vs tors. theta energy: -118.158 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: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1328.927753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.927753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.927753 (E_RNA) where: Base-Base interactions energy: -701.864 where: short stacking energy: -469.364 Base-Backbone interact. energy: -1.017 local terms energy: -626.047012 where: bonds (distance) C4'-P energy: -147.252 bonds (distance) P-C4' energy: -176.324 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -90.197 tors. eta vs tors. theta energy: -72.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1095.368505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.368505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.368505 (E_RNA) where: Base-Base interactions energy: -517.651 where: short stacking energy: -380.088 Base-Backbone interact. energy: 5.070 local terms energy: -582.787685 where: bonds (distance) C4'-P energy: -128.195 bonds (distance) P-C4' energy: -162.859 flat angles C4'-P-C4' energy: -144.200 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -56.634 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: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1147.529341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.529341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.529341 (E_RNA) where: Base-Base interactions energy: -539.905 where: short stacking energy: -330.449 Base-Backbone interact. energy: 3.799 local terms energy: -611.423169 where: bonds (distance) C4'-P energy: -147.519 bonds (distance) P-C4' energy: -167.717 flat angles C4'-P-C4' energy: -149.726 flat angles P-C4'-P energy: -95.743 tors. eta vs tors. theta energy: -50.718 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: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1061.897411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.897411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.897411 (E_RNA) where: Base-Base interactions energy: -488.305 where: short stacking energy: -303.314 Base-Backbone interact. energy: 1.691 local terms energy: -575.283313 where: bonds (distance) C4'-P energy: -158.830 bonds (distance) P-C4' energy: -154.031 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -79.864 tors. eta vs tors. theta energy: -26.303 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -897.689857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.689857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.689857 (E_RNA) where: Base-Base interactions energy: -445.883 where: short stacking energy: -255.333 Base-Backbone interact. energy: 0.037 local terms energy: -451.844379 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: 33.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -799.387097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.387097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.387097 (E_RNA) where: Base-Base interactions energy: -335.684 where: short stacking energy: -239.115 Base-Backbone interact. energy: -0.725 local terms energy: -462.978487 where: bonds (distance) C4'-P energy: -139.703 bonds (distance) P-C4' energy: -141.505 flat angles C4'-P-C4' energy: -110.940 flat angles P-C4'-P energy: -76.035 tors. eta vs tors. theta energy: 5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2059.472767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.472767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.472767 (E_RNA) where: Base-Base interactions energy: -1216.178 where: short stacking energy: -715.994 Base-Backbone interact. energy: -2.597 local terms energy: -840.697741 where: bonds (distance) C4'-P energy: -182.220 bonds (distance) P-C4' energy: -171.889 flat angles C4'-P-C4' energy: -187.510 flat angles P-C4'-P energy: -126.028 tors. eta vs tors. theta energy: -173.050 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: 15 Temperature: 0.950000 Total energy: -1990.692728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.692728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.692728 (E_RNA) where: Base-Base interactions energy: -1157.856 where: short stacking energy: -629.146 Base-Backbone interact. energy: -2.734 local terms energy: -830.102303 where: bonds (distance) C4'-P energy: -185.163 bonds (distance) P-C4' energy: -175.822 flat angles C4'-P-C4' energy: -184.441 flat angles P-C4'-P energy: -112.374 tors. eta vs tors. theta energy: -172.302 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: 3, replica: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1666.307050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.307050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.307050 (E_RNA) where: Base-Base interactions energy: -915.505 where: short stacking energy: -550.613 Base-Backbone interact. energy: 5.857 local terms energy: -756.659468 where: bonds (distance) C4'-P energy: -168.606 bonds (distance) P-C4' energy: -181.220 flat angles C4'-P-C4' energy: -182.053 flat angles P-C4'-P energy: -114.432 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1642.763515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.763515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.763515 (E_RNA) where: Base-Base interactions energy: -938.908 where: short stacking energy: -569.959 Base-Backbone interact. energy: 3.677 local terms energy: -707.532608 where: bonds (distance) C4'-P energy: -148.861 bonds (distance) P-C4' energy: -163.865 flat angles C4'-P-C4' energy: -176.019 flat angles P-C4'-P energy: -91.404 tors. eta vs tors. theta energy: -127.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1394.227200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.227200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.227200 (E_RNA) where: Base-Base interactions energy: -756.805 where: short stacking energy: -455.248 Base-Backbone interact. energy: -2.712 local terms energy: -634.710722 where: bonds (distance) C4'-P energy: -160.301 bonds (distance) P-C4' energy: -166.982 flat angles C4'-P-C4' energy: -157.059 flat angles P-C4'-P energy: -90.793 tors. eta vs tors. theta energy: -59.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1166.672218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.672218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.672218 (E_RNA) where: Base-Base interactions energy: -573.457 where: short stacking energy: -416.281 Base-Backbone interact. energy: 4.159 local terms energy: -597.373985 where: bonds (distance) C4'-P energy: -133.565 bonds (distance) P-C4' energy: -163.758 flat angles C4'-P-C4' energy: -134.510 flat angles P-C4'-P energy: -95.338 tors. eta vs tors. theta energy: -70.203 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: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1173.909595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.909595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.909595 (E_RNA) where: Base-Base interactions energy: -594.152 where: short stacking energy: -368.002 Base-Backbone interact. energy: 2.880 local terms energy: -582.637756 where: bonds (distance) C4'-P energy: -150.231 bonds (distance) P-C4' energy: -154.504 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -76.843 tors. eta vs tors. theta energy: -46.733 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: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1072.117191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.117191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.117191 (E_RNA) where: Base-Base interactions energy: -536.175 where: short stacking energy: -334.543 Base-Backbone interact. energy: -1.963 local terms energy: -533.979125 where: bonds (distance) C4'-P energy: -150.620 bonds (distance) P-C4' energy: -144.938 flat angles C4'-P-C4' energy: -138.180 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -31.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1008.716469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.716469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.716469 (E_RNA) where: Base-Base interactions energy: -479.325 where: short stacking energy: -294.096 Base-Backbone interact. energy: 1.128 local terms energy: -530.519204 where: bonds (distance) C4'-P energy: -131.058 bonds (distance) P-C4' energy: -153.906 flat angles C4'-P-C4' energy: -148.283 flat angles P-C4'-P energy: -74.993 tors. eta vs tors. theta energy: -22.279 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -905.341697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.341697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.341697 (E_RNA) where: Base-Base interactions energy: -433.338 where: short stacking energy: -271.049 Base-Backbone interact. energy: 3.780 local terms energy: -475.784060 where: bonds (distance) C4'-P energy: -149.050 bonds (distance) P-C4' energy: -171.558 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -55.887 tors. eta vs tors. theta energy: 23.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2076.392997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.392997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.392997 (E_RNA) where: Base-Base interactions energy: -1220.555 where: short stacking energy: -739.569 Base-Backbone interact. energy: -0.422 local terms energy: -855.416378 where: bonds (distance) C4'-P energy: -186.550 bonds (distance) P-C4' energy: -178.219 flat angles C4'-P-C4' energy: -196.794 flat angles P-C4'-P energy: -116.547 tors. eta vs tors. theta energy: -177.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2067.186469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.186469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.186469 (E_RNA) where: Base-Base interactions energy: -1250.680 where: short stacking energy: -680.961 Base-Backbone interact. energy: -7.621 local terms energy: -808.885296 where: bonds (distance) C4'-P energy: -175.344 bonds (distance) P-C4' energy: -183.553 flat angles C4'-P-C4' energy: -164.597 flat angles P-C4'-P energy: -117.094 tors. eta vs tors. theta energy: -168.298 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: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1708.050495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.050495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.050495 (E_RNA) where: Base-Base interactions energy: -947.336 where: short stacking energy: -588.013 Base-Backbone interact. energy: -3.302 local terms energy: -757.412491 where: bonds (distance) C4'-P energy: -174.058 bonds (distance) P-C4' energy: -189.583 flat angles C4'-P-C4' energy: -165.165 flat angles P-C4'-P energy: -101.910 tors. eta vs tors. theta energy: -126.696 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: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1605.427562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.427562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.427562 (E_RNA) where: Base-Base interactions energy: -884.937 where: short stacking energy: -535.022 Base-Backbone interact. energy: -0.686 local terms energy: -719.803660 where: bonds (distance) C4'-P energy: -150.906 bonds (distance) P-C4' energy: -180.199 flat angles C4'-P-C4' energy: -178.110 flat angles P-C4'-P energy: -101.196 tors. eta vs tors. theta energy: -109.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1520.766445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.766445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.766445 (E_RNA) where: Base-Base interactions energy: -849.616 where: short stacking energy: -514.216 Base-Backbone interact. energy: -0.652 local terms energy: -670.498472 where: bonds (distance) C4'-P energy: -155.015 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -167.127 flat angles P-C4'-P energy: -89.539 tors. eta vs tors. theta energy: -106.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1149.152948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.152948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.152948 (E_RNA) where: Base-Base interactions energy: -578.065 where: short stacking energy: -381.309 Base-Backbone interact. energy: -0.339 local terms energy: -570.748597 where: bonds (distance) C4'-P energy: -153.574 bonds (distance) P-C4' energy: -136.263 flat angles C4'-P-C4' energy: -147.689 flat angles P-C4'-P energy: -84.681 tors. eta vs tors. theta energy: -48.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1235.952840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.952840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.952840 (E_RNA) where: Base-Base interactions energy: -649.158 where: short stacking energy: -396.693 Base-Backbone interact. energy: -1.247 local terms energy: -585.547547 where: bonds (distance) C4'-P energy: -145.524 bonds (distance) P-C4' energy: -152.076 flat angles C4'-P-C4' energy: -155.324 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -49.345 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1150.960291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.960291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.960291 (E_RNA) where: Base-Base interactions energy: -621.205 where: short stacking energy: -365.843 Base-Backbone interact. energy: 0.273 local terms energy: -530.028194 where: bonds (distance) C4'-P energy: -155.654 bonds (distance) P-C4' energy: -127.811 flat angles C4'-P-C4' energy: -140.472 flat angles P-C4'-P energy: -73.878 tors. eta vs tors. theta energy: -32.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1036.283636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.283636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.283636 (E_RNA) where: Base-Base interactions energy: -535.028 where: short stacking energy: -322.652 Base-Backbone interact. energy: 8.630 local terms energy: -509.886160 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -136.232 flat angles C4'-P-C4' energy: -143.592 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -913.847516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.847516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.847516 (E_RNA) where: Base-Base interactions energy: -444.688 where: short stacking energy: -229.301 Base-Backbone interact. energy: 7.426 local terms energy: -476.585185 where: bonds (distance) C4'-P energy: -134.867 bonds (distance) P-C4' energy: -150.543 flat angles C4'-P-C4' energy: -130.697 flat angles P-C4'-P energy: -74.323 tors. eta vs tors. theta energy: 13.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2121.818640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.818640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.818640 (E_RNA) where: Base-Base interactions energy: -1229.346 where: short stacking energy: -756.246 Base-Backbone interact. energy: -0.916 local terms energy: -891.556497 where: bonds (distance) C4'-P energy: -179.323 bonds (distance) P-C4' energy: -183.968 flat angles C4'-P-C4' energy: -198.628 flat angles P-C4'-P energy: -134.963 tors. eta vs tors. theta energy: -194.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2036.960643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.960643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.960643 (E_RNA) where: Base-Base interactions energy: -1229.738 where: short stacking energy: -683.679 Base-Backbone interact. energy: -0.217 local terms energy: -807.005198 where: bonds (distance) C4'-P energy: -179.247 bonds (distance) P-C4' energy: -173.375 flat angles C4'-P-C4' energy: -174.002 flat angles P-C4'-P energy: -108.903 tors. eta vs tors. theta energy: -171.479 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1759.640520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.640520 (E_RNA) where: Base-Base interactions energy: -984.500 where: short stacking energy: -649.065 Base-Backbone interact. energy: -0.666 local terms energy: -774.474634 where: bonds (distance) C4'-P energy: -158.022 bonds (distance) P-C4' energy: -177.567 flat angles C4'-P-C4' energy: -186.636 flat angles P-C4'-P energy: -101.853 tors. eta vs tors. theta energy: -150.398 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: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1555.119817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.119817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.119817 (E_RNA) where: Base-Base interactions energy: -844.347 where: short stacking energy: -506.490 Base-Backbone interact. energy: 5.924 local terms energy: -716.697088 where: bonds (distance) C4'-P energy: -172.043 bonds (distance) P-C4' energy: -173.002 flat angles C4'-P-C4' energy: -167.324 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -117.893 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: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1483.780036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.780036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.780036 (E_RNA) where: Base-Base interactions energy: -825.692 where: short stacking energy: -445.712 Base-Backbone interact. energy: 1.713 local terms energy: -659.801146 where: bonds (distance) C4'-P energy: -151.872 bonds (distance) P-C4' energy: -165.843 flat angles C4'-P-C4' energy: -168.230 flat angles P-C4'-P energy: -96.825 tors. eta vs tors. theta energy: -77.032 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: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1286.762199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.762199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.762199 (E_RNA) where: Base-Base interactions energy: -673.121 where: short stacking energy: -387.109 Base-Backbone interact. energy: 2.160 local terms energy: -615.801016 where: bonds (distance) C4'-P energy: -160.036 bonds (distance) P-C4' energy: -159.016 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -55.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1098.497770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.497770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.497770 (E_RNA) where: Base-Base interactions energy: -527.944 where: short stacking energy: -325.913 Base-Backbone interact. energy: -2.536 local terms energy: -568.018013 where: bonds (distance) C4'-P energy: -128.661 bonds (distance) P-C4' energy: -170.328 flat angles C4'-P-C4' energy: -148.048 flat angles P-C4'-P energy: -99.015 tors. eta vs tors. theta energy: -21.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1208.501814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.501814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.501814 (E_RNA) where: Base-Base interactions energy: -627.259 where: short stacking energy: -371.563 Base-Backbone interact. energy: -0.732 local terms energy: -580.510634 where: bonds (distance) C4'-P energy: -142.912 bonds (distance) P-C4' energy: -168.035 flat angles C4'-P-C4' energy: -124.680 flat angles P-C4'-P energy: -100.269 tors. eta vs tors. theta energy: -44.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1056.794665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.794665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.794665 (E_RNA) where: Base-Base interactions energy: -498.254 where: short stacking energy: -286.410 Base-Backbone interact. energy: -1.020 local terms energy: -557.520831 where: bonds (distance) C4'-P energy: -149.232 bonds (distance) P-C4' energy: -150.563 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -100.418 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -888.150560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.150560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.150560 (E_RNA) where: Base-Base interactions energy: -412.728 where: short stacking energy: -252.343 Base-Backbone interact. energy: -1.844 local terms energy: -473.578708 where: bonds (distance) C4'-P energy: -130.021 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -152.719 flat angles P-C4'-P energy: -63.400 tors. eta vs tors. theta energy: 16.316 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: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2124.035760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.035760 (E_RNA) where: Base-Base interactions energy: -1283.666 where: short stacking energy: -751.077 Base-Backbone interact. energy: -2.224 local terms energy: -838.145490 where: bonds (distance) C4'-P energy: -177.334 bonds (distance) P-C4' energy: -160.685 flat angles C4'-P-C4' energy: -207.459 flat angles P-C4'-P energy: -114.905 tors. eta vs tors. theta energy: -177.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2096.002973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.002973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.002973 (E_RNA) where: Base-Base interactions energy: -1272.933 where: short stacking energy: -652.982 Base-Backbone interact. energy: -5.835 local terms energy: -817.235322 where: bonds (distance) C4'-P energy: -170.940 bonds (distance) P-C4' energy: -192.711 flat angles C4'-P-C4' energy: -192.376 flat angles P-C4'-P energy: -115.663 tors. eta vs tors. theta energy: -145.545 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: 18 Temperature: 1.000000 Total energy: -1807.190142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.190142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.190142 (E_RNA) where: Base-Base interactions energy: -1032.994 where: short stacking energy: -643.930 Base-Backbone interact. energy: 1.860 local terms energy: -776.056838 where: bonds (distance) C4'-P energy: -144.085 bonds (distance) P-C4' energy: -175.879 flat angles C4'-P-C4' energy: -180.095 flat angles P-C4'-P energy: -118.097 tors. eta vs tors. theta energy: -157.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1600.911762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.911762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.911762 (E_RNA) where: Base-Base interactions energy: -860.990 where: short stacking energy: -506.776 Base-Backbone interact. energy: -2.571 local terms energy: -737.351199 where: bonds (distance) C4'-P energy: -166.710 bonds (distance) P-C4' energy: -170.477 flat angles C4'-P-C4' energy: -166.470 flat angles P-C4'-P energy: -117.907 tors. eta vs tors. theta energy: -115.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1511.645899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.645899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.645899 (E_RNA) where: Base-Base interactions energy: -853.917 where: short stacking energy: -492.253 Base-Backbone interact. energy: 5.355 local terms energy: -663.083904 where: bonds (distance) C4'-P energy: -154.546 bonds (distance) P-C4' energy: -166.682 flat angles C4'-P-C4' energy: -174.284 flat angles P-C4'-P energy: -68.125 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1347.432803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.432803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.432803 (E_RNA) where: Base-Base interactions energy: -695.414 where: short stacking energy: -421.939 Base-Backbone interact. energy: 2.579 local terms energy: -654.597753 where: bonds (distance) C4'-P energy: -153.991 bonds (distance) P-C4' energy: -167.821 flat angles C4'-P-C4' energy: -170.830 flat angles P-C4'-P energy: -75.715 tors. eta vs tors. theta energy: -86.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1291.083132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.083132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.083132 (E_RNA) where: Base-Base interactions energy: -705.368 where: short stacking energy: -431.577 Base-Backbone interact. energy: 8.207 local terms energy: -593.922101 where: bonds (distance) C4'-P energy: -128.742 bonds (distance) P-C4' energy: -142.946 flat angles C4'-P-C4' energy: -163.825 flat angles P-C4'-P energy: -92.068 tors. eta vs tors. theta energy: -66.341 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: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1023.637331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.637331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.637331 (E_RNA) where: Base-Base interactions energy: -529.833 where: short stacking energy: -315.240 Base-Backbone interact. energy: 1.920 local terms energy: -495.724095 where: bonds (distance) C4'-P energy: -112.328 bonds (distance) P-C4' energy: -165.287 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1059.504838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.504838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.504838 (E_RNA) where: Base-Base interactions energy: -552.226 where: short stacking energy: -291.629 Base-Backbone interact. energy: -0.555 local terms energy: -506.724535 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -159.359 flat angles C4'-P-C4' energy: -133.303 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -1.746 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -900.274319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.274319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.274319 (E_RNA) where: Base-Base interactions energy: -473.228 where: short stacking energy: -253.789 Base-Backbone interact. energy: 0.805 local terms energy: -427.851634 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -139.617 flat angles C4'-P-C4' energy: -104.315 flat angles P-C4'-P energy: -85.337 tors. eta vs tors. theta energy: 23.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2137.249849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.249849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.249849 (E_RNA) where: Base-Base interactions energy: -1281.288 where: short stacking energy: -766.430 Base-Backbone interact. energy: -2.420 local terms energy: -853.541671 where: bonds (distance) C4'-P energy: -175.769 bonds (distance) P-C4' energy: -174.470 flat angles C4'-P-C4' energy: -187.682 flat angles P-C4'-P energy: -128.054 tors. eta vs tors. theta energy: -187.567 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: 19 Temperature: 0.950000 Total energy: -2098.681060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.681060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.681060 (E_RNA) where: Base-Base interactions energy: -1278.807 where: short stacking energy: -658.955 Base-Backbone interact. energy: -1.774 local terms energy: -818.100415 where: bonds (distance) C4'-P energy: -162.210 bonds (distance) P-C4' energy: -189.546 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -118.017 tors. eta vs tors. theta energy: -177.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1740.441546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.441546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.441546 (E_RNA) where: Base-Base interactions energy: -975.018 where: short stacking energy: -590.097 Base-Backbone interact. energy: 0.146 local terms energy: -765.569274 where: bonds (distance) C4'-P energy: -146.793 bonds (distance) P-C4' energy: -187.140 flat angles C4'-P-C4' energy: -174.775 flat angles P-C4'-P energy: -113.672 tors. eta vs tors. theta energy: -143.189 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: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1604.422746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.422746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.422746 (E_RNA) where: Base-Base interactions energy: -857.005 where: short stacking energy: -550.198 Base-Backbone interact. energy: 0.419 local terms energy: -747.836802 where: bonds (distance) C4'-P energy: -177.099 bonds (distance) P-C4' energy: -159.105 flat angles C4'-P-C4' energy: -167.865 flat angles P-C4'-P energy: -113.146 tors. eta vs tors. theta energy: -130.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1502.899495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.899495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.899495 (E_RNA) where: Base-Base interactions energy: -824.849 where: short stacking energy: -468.208 Base-Backbone interact. energy: 3.209 local terms energy: -681.259447 where: bonds (distance) C4'-P energy: -162.735 bonds (distance) P-C4' energy: -183.892 flat angles C4'-P-C4' energy: -162.551 flat angles P-C4'-P energy: -95.930 tors. eta vs tors. theta energy: -76.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1390.974959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.974959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.974959 (E_RNA) where: Base-Base interactions energy: -730.814 where: short stacking energy: -426.619 Base-Backbone interact. energy: -1.808 local terms energy: -658.353121 where: bonds (distance) C4'-P energy: -156.148 bonds (distance) P-C4' energy: -179.845 flat angles C4'-P-C4' energy: -158.151 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -74.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1313.648340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.648340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.648340 (E_RNA) where: Base-Base interactions energy: -726.168 where: short stacking energy: -394.098 Base-Backbone interact. energy: 0.399 local terms energy: -587.879985 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -165.599 flat angles C4'-P-C4' energy: -126.245 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -62.857 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1160.276472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.276472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.276472 (E_RNA) where: Base-Base interactions energy: -604.907 where: short stacking energy: -332.615 Base-Backbone interact. energy: 1.672 local terms energy: -557.041528 where: bonds (distance) C4'-P energy: -144.392 bonds (distance) P-C4' energy: -151.578 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -27.274 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: 9, replica: 1 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -893.254714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.254714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.254714 (E_RNA) where: Base-Base interactions energy: -382.427 where: short stacking energy: -273.216 Base-Backbone interact. energy: 1.406 local terms energy: -512.233110 where: bonds (distance) C4'-P energy: -144.448 bonds (distance) P-C4' energy: -157.497 flat angles C4'-P-C4' energy: -141.937 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: -11.824 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: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -849.226406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.226406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.226406 (E_RNA) where: Base-Base interactions energy: -439.731 where: short stacking energy: -231.680 Base-Backbone interact. energy: 1.252 local terms energy: -410.746920 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -99.182 flat angles P-C4'-P energy: -77.704 tors. eta vs tors. theta energy: 20.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2253.529967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.529967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.529967 (E_RNA) where: Base-Base interactions energy: -1412.977 where: short stacking energy: -754.675 Base-Backbone interact. energy: -1.757 local terms energy: -838.796496 where: bonds (distance) C4'-P energy: -182.304 bonds (distance) P-C4' energy: -164.055 flat angles C4'-P-C4' energy: -180.495 flat angles P-C4'-P energy: -116.590 tors. eta vs tors. theta energy: -195.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2059.725184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.725184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.725184 (E_RNA) where: Base-Base interactions energy: -1233.622 where: short stacking energy: -704.157 Base-Backbone interact. energy: -3.157 local terms energy: -822.946686 where: bonds (distance) C4'-P energy: -169.480 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -200.165 flat angles P-C4'-P energy: -122.717 tors. eta vs tors. theta energy: -174.184 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: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1812.871266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.871266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.871266 (E_RNA) where: Base-Base interactions energy: -1043.841 where: short stacking energy: -580.490 Base-Backbone interact. energy: -2.374 local terms energy: -766.656283 where: bonds (distance) C4'-P energy: -167.768 bonds (distance) P-C4' energy: -184.976 flat angles C4'-P-C4' energy: -177.643 flat angles P-C4'-P energy: -102.783 tors. eta vs tors. theta energy: -133.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1625.715954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.715954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.715954 (E_RNA) where: Base-Base interactions energy: -899.683 where: short stacking energy: -533.976 Base-Backbone interact. energy: -2.313 local terms energy: -723.720137 where: bonds (distance) C4'-P energy: -160.759 bonds (distance) P-C4' energy: -170.558 flat angles C4'-P-C4' energy: -164.423 flat angles P-C4'-P energy: -117.973 tors. eta vs tors. theta energy: -110.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1509.454977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.454977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.454977 (E_RNA) where: Base-Base interactions energy: -853.370 where: short stacking energy: -466.144 Base-Backbone interact. energy: -2.406 local terms energy: -653.678312 where: bonds (distance) C4'-P energy: -159.982 bonds (distance) P-C4' energy: -153.806 flat angles C4'-P-C4' energy: -172.655 flat angles P-C4'-P energy: -100.008 tors. eta vs tors. theta energy: -67.228 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: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1451.998469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.998469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.998469 (E_RNA) where: Base-Base interactions energy: -809.443 where: short stacking energy: -475.357 Base-Backbone interact. energy: -2.115 local terms energy: -640.441008 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -162.798 flat angles C4'-P-C4' energy: -156.141 flat angles P-C4'-P energy: -87.128 tors. eta vs tors. theta energy: -83.878 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: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1291.180947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.180947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.180947 (E_RNA) where: Base-Base interactions energy: -713.274 where: short stacking energy: -405.018 Base-Backbone interact. energy: 2.451 local terms energy: -580.358103 where: bonds (distance) C4'-P energy: -129.767 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -144.692 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -51.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1166.895415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.895415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.895415 (E_RNA) where: Base-Base interactions energy: -628.879 where: short stacking energy: -351.733 Base-Backbone interact. energy: 6.661 local terms energy: -544.677809 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -156.815 flat angles C4'-P-C4' energy: -135.170 flat angles P-C4'-P energy: -89.467 tors. eta vs tors. theta energy: -19.698 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1014.254249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.254249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.254249 (E_RNA) where: Base-Base interactions energy: -494.732 where: short stacking energy: -328.816 Base-Backbone interact. energy: -1.564 local terms energy: -517.957788 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -146.247 flat angles C4'-P-C4' energy: -128.742 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -22.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -797.496338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.496338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.496338 (E_RNA) where: Base-Base interactions energy: -322.178 where: short stacking energy: -233.825 Base-Backbone interact. energy: 4.472 local terms energy: -479.790551 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -164.539 flat angles C4'-P-C4' energy: -127.723 flat angles P-C4'-P energy: -73.121 tors. eta vs tors. theta energy: 18.005 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: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2245.020782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.020782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.020782 (E_RNA) where: Base-Base interactions energy: -1397.336 where: short stacking energy: -764.632 Base-Backbone interact. energy: 0.105 local terms energy: -847.789383 where: bonds (distance) C4'-P energy: -178.870 bonds (distance) P-C4' energy: -175.482 flat angles C4'-P-C4' energy: -188.251 flat angles P-C4'-P energy: -109.290 tors. eta vs tors. theta energy: -195.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2020.938724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.938724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.938724 (E_RNA) where: Base-Base interactions energy: -1203.663 where: short stacking energy: -686.308 Base-Backbone interact. energy: -1.147 local terms energy: -816.128296 where: bonds (distance) C4'-P energy: -160.307 bonds (distance) P-C4' energy: -191.592 flat angles C4'-P-C4' energy: -193.154 flat angles P-C4'-P energy: -111.114 tors. eta vs tors. theta energy: -159.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1789.784647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.784647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.784647 (E_RNA) where: Base-Base interactions energy: -1049.353 where: short stacking energy: -583.470 Base-Backbone interact. energy: -2.742 local terms energy: -737.688875 where: bonds (distance) C4'-P energy: -157.431 bonds (distance) P-C4' energy: -169.950 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -101.078 tors. eta vs tors. theta energy: -128.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1638.637010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.637010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.637010 (E_RNA) where: Base-Base interactions energy: -907.137 where: short stacking energy: -511.391 Base-Backbone interact. energy: 0.184 local terms energy: -731.684265 where: bonds (distance) C4'-P energy: -171.514 bonds (distance) P-C4' energy: -172.422 flat angles C4'-P-C4' energy: -168.149 flat angles P-C4'-P energy: -123.226 tors. eta vs tors. theta energy: -96.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1524.243082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.243082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.243082 (E_RNA) where: Base-Base interactions energy: -845.800 where: short stacking energy: -505.099 Base-Backbone interact. energy: -1.579 local terms energy: -676.863204 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -169.910 flat angles C4'-P-C4' energy: -167.668 flat angles P-C4'-P energy: -86.493 tors. eta vs tors. theta energy: -99.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1406.489591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.489591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.489591 (E_RNA) where: Base-Base interactions energy: -797.163 where: short stacking energy: -462.080 Base-Backbone interact. energy: -2.551 local terms energy: -606.775479 where: bonds (distance) C4'-P energy: -143.794 bonds (distance) P-C4' energy: -172.619 flat angles C4'-P-C4' energy: -152.499 flat angles P-C4'-P energy: -70.379 tors. eta vs tors. theta energy: -67.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1365.248533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.248533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.248533 (E_RNA) where: Base-Base interactions energy: -747.337 where: short stacking energy: -394.661 Base-Backbone interact. energy: 2.795 local terms energy: -620.706567 where: bonds (distance) C4'-P energy: -139.648 bonds (distance) P-C4' energy: -160.180 flat angles C4'-P-C4' energy: -151.144 flat angles P-C4'-P energy: -96.279 tors. eta vs tors. theta energy: -73.455 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: 21 Temperature: 1.250000 Total energy: -1040.799655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.799655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.799655 (E_RNA) where: Base-Base interactions energy: -540.137 where: short stacking energy: -285.985 Base-Backbone interact. energy: 1.227 local terms energy: -501.889743 where: bonds (distance) C4'-P energy: -147.740 bonds (distance) P-C4' energy: -145.794 flat angles C4'-P-C4' energy: -139.596 flat angles P-C4'-P energy: -76.889 tors. eta vs tors. theta energy: 8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1101.768672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.768672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.768672 (E_RNA) where: Base-Base interactions energy: -603.011 where: short stacking energy: -302.517 Base-Backbone interact. energy: -2.707 local terms energy: -496.051079 where: bonds (distance) C4'-P energy: -134.203 bonds (distance) P-C4' energy: -147.122 flat angles C4'-P-C4' energy: -123.902 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -7.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -804.549243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.549243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.549243 (E_RNA) where: Base-Base interactions energy: -323.422 where: short stacking energy: -211.603 Base-Backbone interact. energy: 0.598 local terms energy: -481.724587 where: bonds (distance) C4'-P energy: -157.969 bonds (distance) P-C4' energy: -113.126 flat angles C4'-P-C4' energy: -142.427 flat angles P-C4'-P energy: -79.730 tors. eta vs tors. theta energy: 11.527 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: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2283.582013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.582013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.582013 (E_RNA) where: Base-Base interactions energy: -1435.984 where: short stacking energy: -748.435 Base-Backbone interact. energy: 0.114 local terms energy: -847.712070 where: bonds (distance) C4'-P energy: -179.858 bonds (distance) P-C4' energy: -180.202 flat angles C4'-P-C4' energy: -177.246 flat angles P-C4'-P energy: -120.362 tors. eta vs tors. theta energy: -190.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2055.648132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.648132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.648132 (E_RNA) where: Base-Base interactions energy: -1227.264 where: short stacking energy: -684.726 Base-Backbone interact. energy: -1.067 local terms energy: -827.316466 where: bonds (distance) C4'-P energy: -172.549 bonds (distance) P-C4' energy: -166.366 flat angles C4'-P-C4' energy: -189.196 flat angles P-C4'-P energy: -131.204 tors. eta vs tors. theta energy: -168.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1808.444903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.444903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.444903 (E_RNA) where: Base-Base interactions energy: -1060.424 where: short stacking energy: -622.505 Base-Backbone interact. energy: -1.033 local terms energy: -746.988755 where: bonds (distance) C4'-P energy: -142.113 bonds (distance) P-C4' energy: -177.580 flat angles C4'-P-C4' energy: -188.897 flat angles P-C4'-P energy: -115.488 tors. eta vs tors. theta energy: -122.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1715.707327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.707327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.707327 (E_RNA) where: Base-Base interactions energy: -991.715 where: short stacking energy: -520.110 Base-Backbone interact. energy: 1.982 local terms energy: -725.974636 where: bonds (distance) C4'-P energy: -173.503 bonds (distance) P-C4' energy: -176.306 flat angles C4'-P-C4' energy: -180.998 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: -121.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1590.809894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.809894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.809894 (E_RNA) where: Base-Base interactions energy: -874.603 where: short stacking energy: -502.165 Base-Backbone interact. energy: 0.202 local terms energy: -716.408270 where: bonds (distance) C4'-P energy: -183.731 bonds (distance) P-C4' energy: -178.610 flat angles C4'-P-C4' energy: -161.712 flat angles P-C4'-P energy: -95.813 tors. eta vs tors. theta energy: -96.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1489.207261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.207261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.207261 (E_RNA) where: Base-Base interactions energy: -827.451 where: short stacking energy: -453.547 Base-Backbone interact. energy: -1.655 local terms energy: -660.101065 where: bonds (distance) C4'-P energy: -158.163 bonds (distance) P-C4' energy: -166.452 flat angles C4'-P-C4' energy: -150.573 flat angles P-C4'-P energy: -106.785 tors. eta vs tors. theta energy: -78.129 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: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1408.715881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.715881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.715881 (E_RNA) where: Base-Base interactions energy: -780.496 where: short stacking energy: -446.179 Base-Backbone interact. energy: 1.472 local terms energy: -629.692644 where: bonds (distance) C4'-P energy: -150.079 bonds (distance) P-C4' energy: -164.979 flat angles C4'-P-C4' energy: -159.076 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -74.265 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: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1029.250919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.250919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.250919 (E_RNA) where: Base-Base interactions energy: -473.948 where: short stacking energy: -255.377 Base-Backbone interact. energy: -0.115 local terms energy: -555.188068 where: bonds (distance) C4'-P energy: -168.708 bonds (distance) P-C4' energy: -168.779 flat angles C4'-P-C4' energy: -128.528 flat angles P-C4'-P energy: -93.748 tors. eta vs tors. theta energy: 4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1098.597806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.597806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.597806 (E_RNA) where: Base-Base interactions energy: -603.479 where: short stacking energy: -349.340 Base-Backbone interact. energy: 1.025 local terms energy: -496.143473 where: bonds (distance) C4'-P energy: -140.536 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -137.320 flat angles P-C4'-P energy: -78.129 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -821.470356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.470356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.470356 (E_RNA) where: Base-Base interactions energy: -306.920 where: short stacking energy: -237.289 Base-Backbone interact. energy: -1.056 local terms energy: -513.494896 where: bonds (distance) C4'-P energy: -152.550 bonds (distance) P-C4' energy: -147.313 flat angles C4'-P-C4' energy: -135.633 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2286.654782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.654782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.654782 (E_RNA) where: Base-Base interactions energy: -1437.877 where: short stacking energy: -743.108 Base-Backbone interact. energy: -0.263 local terms energy: -848.515322 where: bonds (distance) C4'-P energy: -173.981 bonds (distance) P-C4' energy: -186.473 flat angles C4'-P-C4' energy: -185.737 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -191.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2045.305853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.305853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.305853 (E_RNA) where: Base-Base interactions energy: -1270.915 where: short stacking energy: -684.081 Base-Backbone interact. energy: -2.509 local terms energy: -771.881995 where: bonds (distance) C4'-P energy: -157.659 bonds (distance) P-C4' energy: -181.806 flat angles C4'-P-C4' energy: -185.117 flat angles P-C4'-P energy: -110.156 tors. eta vs tors. theta energy: -137.145 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1870.015471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.015471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.015471 (E_RNA) where: Base-Base interactions energy: -1103.417 where: short stacking energy: -642.377 Base-Backbone interact. energy: 0.391 local terms energy: -766.989551 where: bonds (distance) C4'-P energy: -172.486 bonds (distance) P-C4' energy: -179.921 flat angles C4'-P-C4' energy: -156.886 flat angles P-C4'-P energy: -105.105 tors. eta vs tors. theta energy: -152.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1754.421303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.421303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.421303 (E_RNA) where: Base-Base interactions energy: -1038.707 where: short stacking energy: -591.609 Base-Backbone interact. energy: -3.642 local terms energy: -712.072057 where: bonds (distance) C4'-P energy: -153.101 bonds (distance) P-C4' energy: -172.335 flat angles C4'-P-C4' energy: -185.601 flat angles P-C4'-P energy: -74.471 tors. eta vs tors. theta energy: -126.563 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: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1712.963222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.963222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.963222 (E_RNA) where: Base-Base interactions energy: -999.018 where: short stacking energy: -522.713 Base-Backbone interact. energy: 1.672 local terms energy: -715.617768 where: bonds (distance) C4'-P energy: -165.579 bonds (distance) P-C4' energy: -169.944 flat angles C4'-P-C4' energy: -170.389 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -112.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1664.990464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.990464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.990464 (E_RNA) where: Base-Base interactions energy: -992.513 where: short stacking energy: -495.619 Base-Backbone interact. energy: -1.805 local terms energy: -670.672581 where: bonds (distance) C4'-P energy: -161.583 bonds (distance) P-C4' energy: -169.966 flat angles C4'-P-C4' energy: -152.008 flat angles P-C4'-P energy: -84.050 tors. eta vs tors. theta energy: -103.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1405.447790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.447790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.447790 (E_RNA) where: Base-Base interactions energy: -776.715 where: short stacking energy: -455.467 Base-Backbone interact. energy: -0.844 local terms energy: -627.888671 where: bonds (distance) C4'-P energy: -137.859 bonds (distance) P-C4' energy: -159.546 flat angles C4'-P-C4' energy: -145.480 flat angles P-C4'-P energy: -94.977 tors. eta vs tors. theta energy: -90.027 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: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1222.264283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.264283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.264283 (E_RNA) where: Base-Base interactions energy: -654.444 where: short stacking energy: -361.263 Base-Backbone interact. energy: -2.716 local terms energy: -565.104813 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -155.894 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -95.099 tors. eta vs tors. theta energy: -29.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1017.946810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.946810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.946810 (E_RNA) where: Base-Base interactions energy: -507.951 where: short stacking energy: -300.920 Base-Backbone interact. energy: -0.001 local terms energy: -509.995400 where: bonds (distance) C4'-P energy: -138.632 bonds (distance) P-C4' energy: -161.809 flat angles C4'-P-C4' energy: -138.804 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -682.442428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.442428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.442428 (E_RNA) where: Base-Base interactions energy: -248.431 where: short stacking energy: -228.023 Base-Backbone interact. energy: 6.700 local terms energy: -440.711533 where: bonds (distance) C4'-P energy: -163.468 bonds (distance) P-C4' energy: -152.158 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: 29.491 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: 24 Temperature: 0.900000 Total energy: -2271.831743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.831743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.831743 (E_RNA) where: Base-Base interactions energy: -1420.869 where: short stacking energy: -785.420 Base-Backbone interact. energy: -1.642 local terms energy: -849.320540 where: bonds (distance) C4'-P energy: -173.008 bonds (distance) P-C4' energy: -174.768 flat angles C4'-P-C4' energy: -194.536 flat angles P-C4'-P energy: -106.701 tors. eta vs tors. theta energy: -200.307 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: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2079.180037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.180037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.180037 (E_RNA) where: Base-Base interactions energy: -1284.744 where: short stacking energy: -693.782 Base-Backbone interact. energy: -2.507 local terms energy: -791.928477 where: bonds (distance) C4'-P energy: -174.311 bonds (distance) P-C4' energy: -184.269 flat angles C4'-P-C4' energy: -167.930 flat angles P-C4'-P energy: -101.931 tors. eta vs tors. theta energy: -163.487 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: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1890.945535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.945535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.945535 (E_RNA) where: Base-Base interactions energy: -1098.303 where: short stacking energy: -628.423 Base-Backbone interact. energy: 0.448 local terms energy: -793.090765 where: bonds (distance) C4'-P energy: -162.466 bonds (distance) P-C4' energy: -186.304 flat angles C4'-P-C4' energy: -191.622 flat angles P-C4'-P energy: -91.675 tors. eta vs tors. theta energy: -161.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1776.691294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.691294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.691294 (E_RNA) where: Base-Base interactions energy: -1047.590 where: short stacking energy: -542.124 Base-Backbone interact. energy: -2.397 local terms energy: -726.703578 where: bonds (distance) C4'-P energy: -154.989 bonds (distance) P-C4' energy: -169.012 flat angles C4'-P-C4' energy: -169.765 flat angles P-C4'-P energy: -121.949 tors. eta vs tors. theta energy: -110.989 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: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1612.502669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.502669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.502669 (E_RNA) where: Base-Base interactions energy: -969.884 where: short stacking energy: -489.184 Base-Backbone interact. energy: 1.183 local terms energy: -643.802100 where: bonds (distance) C4'-P energy: -156.603 bonds (distance) P-C4' energy: -159.134 flat angles C4'-P-C4' energy: -152.089 flat angles P-C4'-P energy: -86.121 tors. eta vs tors. theta energy: -89.855 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: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1692.553954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.553954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.553954 (E_RNA) where: Base-Base interactions energy: -1018.614 where: short stacking energy: -531.432 Base-Backbone interact. energy: 2.147 local terms energy: -676.086695 where: bonds (distance) C4'-P energy: -160.688 bonds (distance) P-C4' energy: -151.239 flat angles C4'-P-C4' energy: -168.969 flat angles P-C4'-P energy: -83.017 tors. eta vs tors. theta energy: -112.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1342.125780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.125780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.125780 (E_RNA) where: Base-Base interactions energy: -729.685 where: short stacking energy: -411.196 Base-Backbone interact. energy: 0.558 local terms energy: -612.998516 where: bonds (distance) C4'-P energy: -150.245 bonds (distance) P-C4' energy: -157.785 flat angles C4'-P-C4' energy: -149.912 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -66.493 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: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1314.711125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.711125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.711125 (E_RNA) where: Base-Base interactions energy: -721.316 where: short stacking energy: -392.938 Base-Backbone interact. energy: 0.918 local terms energy: -594.313067 where: bonds (distance) C4'-P energy: -154.148 bonds (distance) P-C4' energy: -168.569 flat angles C4'-P-C4' energy: -161.149 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -47.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -983.013498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.013498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.013498 (E_RNA) where: Base-Base interactions energy: -480.310 where: short stacking energy: -284.691 Base-Backbone interact. energy: 2.140 local terms energy: -504.843515 where: bonds (distance) C4'-P energy: -144.921 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -135.700 flat angles P-C4'-P energy: -60.064 tors. eta vs tors. theta energy: -9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -679.498123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.498123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.498123 (E_RNA) where: Base-Base interactions energy: -229.446 where: short stacking energy: -192.374 Base-Backbone interact. energy: 2.515 local terms energy: -452.566896 where: bonds (distance) C4'-P energy: -139.869 bonds (distance) P-C4' energy: -172.738 flat angles C4'-P-C4' energy: -88.413 flat angles P-C4'-P energy: -69.373 tors. eta vs tors. theta energy: 17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2262.722321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.722321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.722321 (E_RNA) where: Base-Base interactions energy: -1388.937 where: short stacking energy: -747.046 Base-Backbone interact. energy: -3.870 local terms energy: -869.914678 where: bonds (distance) C4'-P energy: -166.145 bonds (distance) P-C4' energy: -189.705 flat angles C4'-P-C4' energy: -208.577 flat angles P-C4'-P energy: -132.871 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: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2071.812550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.812550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.812550 (E_RNA) where: Base-Base interactions energy: -1226.078 where: short stacking energy: -686.142 Base-Backbone interact. energy: 0.294 local terms energy: -846.028420 where: bonds (distance) C4'-P energy: -185.109 bonds (distance) P-C4' energy: -182.858 flat angles C4'-P-C4' energy: -187.757 flat angles P-C4'-P energy: -130.502 tors. eta vs tors. theta energy: -159.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1837.562602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.562602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.562602 (E_RNA) where: Base-Base interactions energy: -1095.303 where: short stacking energy: -578.127 Base-Backbone interact. energy: -0.703 local terms energy: -741.556772 where: bonds (distance) C4'-P energy: -163.441 bonds (distance) P-C4' energy: -182.248 flat angles C4'-P-C4' energy: -165.311 flat angles P-C4'-P energy: -93.927 tors. eta vs tors. theta energy: -136.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1841.906390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.906390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.906390 (E_RNA) where: Base-Base interactions energy: -1081.292 where: short stacking energy: -597.925 Base-Backbone interact. energy: -2.195 local terms energy: -758.420121 where: bonds (distance) C4'-P energy: -164.628 bonds (distance) P-C4' energy: -172.859 flat angles C4'-P-C4' energy: -173.581 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -142.034 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: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1705.490242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.490242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.490242 (E_RNA) where: Base-Base interactions energy: -1029.612 where: short stacking energy: -490.289 Base-Backbone interact. energy: -4.929 local terms energy: -670.948815 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -165.669 flat angles C4'-P-C4' energy: -171.877 flat angles P-C4'-P energy: -96.700 tors. eta vs tors. theta energy: -72.133 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: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1731.990698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.990698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.990698 (E_RNA) where: Base-Base interactions energy: -1062.241 where: short stacking energy: -548.079 Base-Backbone interact. energy: -0.666 local terms energy: -669.083199 where: bonds (distance) C4'-P energy: -159.480 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -161.500 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -105.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1364.823548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.823548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.823548 (E_RNA) where: Base-Base interactions energy: -709.861 where: short stacking energy: -426.847 Base-Backbone interact. energy: 0.631 local terms energy: -655.593039 where: bonds (distance) C4'-P energy: -149.904 bonds (distance) P-C4' energy: -156.892 flat angles C4'-P-C4' energy: -163.088 flat angles P-C4'-P energy: -107.941 tors. eta vs tors. theta energy: -77.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1276.661211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.661211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.661211 (E_RNA) where: Base-Base interactions energy: -716.916 where: short stacking energy: -363.907 Base-Backbone interact. energy: 1.534 local terms energy: -561.280060 where: bonds (distance) C4'-P energy: -151.961 bonds (distance) P-C4' energy: -156.114 flat angles C4'-P-C4' energy: -134.063 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -34.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -957.444958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.444958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.444958 (E_RNA) where: Base-Base interactions energy: -477.729 where: short stacking energy: -280.862 Base-Backbone interact. energy: 0.860 local terms energy: -480.575490 where: bonds (distance) C4'-P energy: -126.138 bonds (distance) P-C4' energy: -140.482 flat angles C4'-P-C4' energy: -115.373 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -726.542166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.542166 (E_RNA) where: Base-Base interactions energy: -247.307 where: short stacking energy: -183.155 Base-Backbone interact. energy: -0.817 local terms energy: -478.419009 where: bonds (distance) C4'-P energy: -153.580 bonds (distance) P-C4' energy: -156.613 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: 29.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2268.342643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.342643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.342643 (E_RNA) where: Base-Base interactions energy: -1419.306 where: short stacking energy: -729.356 Base-Backbone interact. energy: -3.467 local terms energy: -845.569572 where: bonds (distance) C4'-P energy: -176.231 bonds (distance) P-C4' energy: -181.898 flat angles C4'-P-C4' energy: -183.714 flat angles P-C4'-P energy: -121.471 tors. eta vs tors. theta energy: -182.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2056.294276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.294276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.294276 (E_RNA) where: Base-Base interactions energy: -1263.883 where: short stacking energy: -698.125 Base-Backbone interact. energy: -4.383 local terms energy: -788.027962 where: bonds (distance) C4'-P energy: -165.395 bonds (distance) P-C4' energy: -182.112 flat angles C4'-P-C4' energy: -169.008 flat angles P-C4'-P energy: -109.837 tors. eta vs tors. theta energy: -161.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1826.099474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.099474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.099474 (E_RNA) where: Base-Base interactions energy: -1071.971 where: short stacking energy: -620.098 Base-Backbone interact. energy: 2.298 local terms energy: -756.425820 where: bonds (distance) C4'-P energy: -169.077 bonds (distance) P-C4' energy: -189.806 flat angles C4'-P-C4' energy: -162.542 flat angles P-C4'-P energy: -101.800 tors. eta vs tors. theta energy: -133.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1903.022336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.022336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.022336 (E_RNA) where: Base-Base interactions energy: -1115.979 where: short stacking energy: -609.755 Base-Backbone interact. energy: -1.412 local terms energy: -785.631247 where: bonds (distance) C4'-P energy: -166.591 bonds (distance) P-C4' energy: -171.819 flat angles C4'-P-C4' energy: -181.303 flat angles P-C4'-P energy: -113.527 tors. eta vs tors. theta energy: -152.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1849.509190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.509190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.509190 (E_RNA) where: Base-Base interactions energy: -1124.140 where: short stacking energy: -564.442 Base-Backbone interact. energy: 0.146 local terms energy: -725.514640 where: bonds (distance) C4'-P energy: -146.929 bonds (distance) P-C4' energy: -173.765 flat angles C4'-P-C4' energy: -165.874 flat angles P-C4'-P energy: -115.453 tors. eta vs tors. theta energy: -123.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1572.577626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.577626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.577626 (E_RNA) where: Base-Base interactions energy: -935.548 where: short stacking energy: -474.055 Base-Backbone interact. energy: -0.534 local terms energy: -636.495874 where: bonds (distance) C4'-P energy: -144.897 bonds (distance) P-C4' energy: -176.545 flat angles C4'-P-C4' energy: -148.312 flat angles P-C4'-P energy: -87.839 tors. eta vs tors. theta energy: -78.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1386.725041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.725041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.725041 (E_RNA) where: Base-Base interactions energy: -761.153 where: short stacking energy: -435.656 Base-Backbone interact. energy: 1.283 local terms energy: -626.854523 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -152.028 flat angles C4'-P-C4' energy: -142.295 flat angles P-C4'-P energy: -111.089 tors. eta vs tors. theta energy: -78.188 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: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1317.986736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.986736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.986736 (E_RNA) where: Base-Base interactions energy: -742.627 where: short stacking energy: -373.453 Base-Backbone interact. energy: 1.944 local terms energy: -577.302953 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -163.362 flat angles P-C4'-P energy: -102.247 tors. eta vs tors. theta energy: -39.236 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -968.985049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.985049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.985049 (E_RNA) where: Base-Base interactions energy: -483.065 where: short stacking energy: -255.231 Base-Backbone interact. energy: 3.845 local terms energy: -489.765229 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -151.278 flat angles C4'-P-C4' energy: -118.083 flat angles P-C4'-P energy: -92.329 tors. eta vs tors. theta energy: 8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -717.099190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.099190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.099190 (E_RNA) where: Base-Base interactions energy: -266.001 where: short stacking energy: -234.227 Base-Backbone interact. energy: 5.477 local terms energy: -456.575630 where: bonds (distance) C4'-P energy: -164.155 bonds (distance) P-C4' energy: -131.021 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -44.114 tors. eta vs tors. theta energy: 15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2337.232645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.232645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.232645 (E_RNA) where: Base-Base interactions energy: -1485.119 where: short stacking energy: -761.724 Base-Backbone interact. energy: -2.286 local terms energy: -849.827762 where: bonds (distance) C4'-P energy: -172.256 bonds (distance) P-C4' energy: -186.676 flat angles C4'-P-C4' energy: -190.530 flat angles P-C4'-P energy: -113.784 tors. eta vs tors. theta energy: -186.580 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: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2035.142670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.142670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.142670 (E_RNA) where: Base-Base interactions energy: -1236.042 where: short stacking energy: -678.471 Base-Backbone interact. energy: -1.271 local terms energy: -797.829909 where: bonds (distance) C4'-P energy: -161.520 bonds (distance) P-C4' energy: -170.779 flat angles C4'-P-C4' energy: -187.373 flat angles P-C4'-P energy: -126.923 tors. eta vs tors. theta energy: -151.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1809.766068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.766068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.766068 (E_RNA) where: Base-Base interactions energy: -1047.841 where: short stacking energy: -599.064 Base-Backbone interact. energy: -0.090 local terms energy: -761.834836 where: bonds (distance) C4'-P energy: -157.283 bonds (distance) P-C4' energy: -175.037 flat angles C4'-P-C4' energy: -182.939 flat angles P-C4'-P energy: -112.107 tors. eta vs tors. theta energy: -134.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1933.187398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.187398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.187398 (E_RNA) where: Base-Base interactions energy: -1201.365 where: short stacking energy: -583.171 Base-Backbone interact. energy: 0.879 local terms energy: -732.701680 where: bonds (distance) C4'-P energy: -161.858 bonds (distance) P-C4' energy: -170.253 flat angles C4'-P-C4' energy: -170.338 flat angles P-C4'-P energy: -102.883 tors. eta vs tors. theta energy: -127.370 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: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1790.807358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.807358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.807358 (E_RNA) where: Base-Base interactions energy: -1084.751 where: short stacking energy: -582.087 Base-Backbone interact. energy: -4.240 local terms energy: -701.816537 where: bonds (distance) C4'-P energy: -151.647 bonds (distance) P-C4' energy: -130.098 flat angles C4'-P-C4' energy: -184.776 flat angles P-C4'-P energy: -91.862 tors. eta vs tors. theta energy: -143.433 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1631.864255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.864255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.864255 (E_RNA) where: Base-Base interactions energy: -966.768 where: short stacking energy: -518.236 Base-Backbone interact. energy: 0.349 local terms energy: -665.444867 where: bonds (distance) C4'-P energy: -159.258 bonds (distance) P-C4' energy: -154.655 flat angles C4'-P-C4' energy: -166.192 flat angles P-C4'-P energy: -93.673 tors. eta vs tors. theta energy: -91.666 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1407.934934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.934934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.934934 (E_RNA) where: Base-Base interactions energy: -791.376 where: short stacking energy: -422.069 Base-Backbone interact. energy: 0.807 local terms energy: -617.365986 where: bonds (distance) C4'-P energy: -142.432 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -145.148 flat angles P-C4'-P energy: -104.298 tors. eta vs tors. theta energy: -70.618 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: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1326.764748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.764748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.764748 (E_RNA) where: Base-Base interactions energy: -772.284 where: short stacking energy: -400.160 Base-Backbone interact. energy: 4.900 local terms energy: -559.381336 where: bonds (distance) C4'-P energy: -139.705 bonds (distance) P-C4' energy: -153.224 flat angles C4'-P-C4' energy: -129.051 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -56.266 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: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -977.384301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.384301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.384301 (E_RNA) where: Base-Base interactions energy: -502.899 where: short stacking energy: -286.321 Base-Backbone interact. energy: 7.862 local terms energy: -482.347263 where: bonds (distance) C4'-P energy: -127.773 bonds (distance) P-C4' energy: -130.698 flat angles C4'-P-C4' energy: -153.861 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: 9.108 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: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -776.125124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.125124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.125124 (E_RNA) where: Base-Base interactions energy: -324.422 where: short stacking energy: -230.965 Base-Backbone interact. energy: 0.482 local terms energy: -452.185665 where: bonds (distance) C4'-P energy: -126.155 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -121.832 flat angles P-C4'-P energy: -75.540 tors. eta vs tors. theta energy: 25.099 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: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2401.050633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.050633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.050633 (E_RNA) where: Base-Base interactions energy: -1500.216 where: short stacking energy: -780.707 Base-Backbone interact. energy: -2.139 local terms energy: -898.695905 where: bonds (distance) C4'-P energy: -184.267 bonds (distance) P-C4' energy: -177.003 flat angles C4'-P-C4' energy: -193.481 flat angles P-C4'-P energy: -136.539 tors. eta vs tors. theta energy: -207.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2097.275160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.275160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.275160 (E_RNA) where: Base-Base interactions energy: -1259.399 where: short stacking energy: -701.450 Base-Backbone interact. energy: -2.732 local terms energy: -835.144079 where: bonds (distance) C4'-P energy: -175.568 bonds (distance) P-C4' energy: -191.963 flat angles C4'-P-C4' energy: -182.692 flat angles P-C4'-P energy: -110.654 tors. eta vs tors. theta energy: -174.267 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: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2152.782092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.782092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.782092 (E_RNA) where: Base-Base interactions energy: -1387.135 where: short stacking energy: -674.900 Base-Backbone interact. energy: -5.789 local terms energy: -759.858665 where: bonds (distance) C4'-P energy: -154.914 bonds (distance) P-C4' energy: -165.104 flat angles C4'-P-C4' energy: -189.752 flat angles P-C4'-P energy: -88.610 tors. eta vs tors. theta energy: -161.479 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: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1721.975853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.975853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.975853 (E_RNA) where: Base-Base interactions energy: -1006.898 where: short stacking energy: -586.559 Base-Backbone interact. energy: -4.470 local terms energy: -710.608181 where: bonds (distance) C4'-P energy: -160.097 bonds (distance) P-C4' energy: -157.570 flat angles C4'-P-C4' energy: -173.426 flat angles P-C4'-P energy: -104.015 tors. eta vs tors. theta energy: -115.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1668.090366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.090366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.090366 (E_RNA) where: Base-Base interactions energy: -998.190 where: short stacking energy: -541.862 Base-Backbone interact. energy: -0.270 local terms energy: -669.630369 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -151.863 flat angles C4'-P-C4' energy: -155.835 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -117.331 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: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1623.662877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.662877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.662877 (E_RNA) where: Base-Base interactions energy: -965.647 where: short stacking energy: -519.017 Base-Backbone interact. energy: -4.466 local terms energy: -653.549775 where: bonds (distance) C4'-P energy: -137.152 bonds (distance) P-C4' energy: -168.286 flat angles C4'-P-C4' energy: -149.512 flat angles P-C4'-P energy: -111.739 tors. eta vs tors. theta energy: -86.861 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1463.628423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.628423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.628423 (E_RNA) where: Base-Base interactions energy: -851.780 where: short stacking energy: -407.751 Base-Backbone interact. energy: 0.364 local terms energy: -612.212254 where: bonds (distance) C4'-P energy: -139.204 bonds (distance) P-C4' energy: -170.769 flat angles C4'-P-C4' energy: -155.880 flat angles P-C4'-P energy: -92.285 tors. eta vs tors. theta energy: -54.074 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: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1313.917407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.917407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.917407 (E_RNA) where: Base-Base interactions energy: -716.797 where: short stacking energy: -348.876 Base-Backbone interact. energy: 6.533 local terms energy: -603.653206 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -149.365 flat angles P-C4'-P energy: -109.139 tors. eta vs tors. theta energy: -33.327 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: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1053.902278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.902278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.902278 (E_RNA) where: Base-Base interactions energy: -605.179 where: short stacking energy: -341.689 Base-Backbone interact. energy: 5.325 local terms energy: -454.048230 where: bonds (distance) C4'-P energy: -130.280 bonds (distance) P-C4' energy: -131.575 flat angles C4'-P-C4' energy: -119.079 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -0.302 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: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -690.894834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.894834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.894834 (E_RNA) where: Base-Base interactions energy: -254.373 where: short stacking energy: -181.493 Base-Backbone interact. energy: -0.634 local terms energy: -435.887456 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -145.094 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: 28.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2356.561599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.561599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.561599 (E_RNA) where: Base-Base interactions energy: -1468.858 where: short stacking energy: -778.721 Base-Backbone interact. energy: -0.699 local terms energy: -887.004795 where: bonds (distance) C4'-P energy: -166.262 bonds (distance) P-C4' energy: -188.326 flat angles C4'-P-C4' energy: -201.719 flat angles P-C4'-P energy: -132.104 tors. eta vs tors. theta energy: -198.594 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: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2287.768301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.768301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.768301 (E_RNA) where: Base-Base interactions energy: -1441.669 where: short stacking energy: -699.695 Base-Backbone interact. energy: -5.260 local terms energy: -840.839547 where: bonds (distance) C4'-P energy: -180.605 bonds (distance) P-C4' energy: -170.836 flat angles C4'-P-C4' energy: -192.567 flat angles P-C4'-P energy: -116.431 tors. eta vs tors. theta energy: -180.400 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: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2015.832503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.832503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.832503 (E_RNA) where: Base-Base interactions energy: -1240.623 where: short stacking energy: -672.825 Base-Backbone interact. energy: -1.720 local terms energy: -773.489373 where: bonds (distance) C4'-P energy: -171.074 bonds (distance) P-C4' energy: -174.052 flat angles C4'-P-C4' energy: -167.685 flat angles P-C4'-P energy: -103.302 tors. eta vs tors. theta energy: -157.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1650.237595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.237595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.237595 (E_RNA) where: Base-Base interactions energy: -935.319 where: short stacking energy: -508.718 Base-Backbone interact. energy: -0.330 local terms energy: -714.587915 where: bonds (distance) C4'-P energy: -161.951 bonds (distance) P-C4' energy: -172.695 flat angles C4'-P-C4' energy: -176.628 flat angles P-C4'-P energy: -92.149 tors. eta vs tors. theta energy: -111.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1661.434020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.434020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.434020 (E_RNA) where: Base-Base interactions energy: -988.640 where: short stacking energy: -525.607 Base-Backbone interact. energy: -0.318 local terms energy: -672.475892 where: bonds (distance) C4'-P energy: -147.430 bonds (distance) P-C4' energy: -166.686 flat angles C4'-P-C4' energy: -157.002 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -117.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1621.562942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.562942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.562942 (E_RNA) where: Base-Base interactions energy: -953.514 where: short stacking energy: -511.811 Base-Backbone interact. energy: 2.333 local terms energy: -670.382250 where: bonds (distance) C4'-P energy: -143.052 bonds (distance) P-C4' energy: -173.009 flat angles C4'-P-C4' energy: -175.298 flat angles P-C4'-P energy: -94.414 tors. eta vs tors. theta energy: -84.610 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: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1501.608805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.608805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.608805 (E_RNA) where: Base-Base interactions energy: -881.266 where: short stacking energy: -439.178 Base-Backbone interact. energy: -1.733 local terms energy: -618.608949 where: bonds (distance) C4'-P energy: -138.313 bonds (distance) P-C4' energy: -160.838 flat angles C4'-P-C4' energy: -146.460 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -71.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1324.169996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.169996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.169996 (E_RNA) where: Base-Base interactions energy: -722.660 where: short stacking energy: -377.389 Base-Backbone interact. energy: 0.035 local terms energy: -601.544617 where: bonds (distance) C4'-P energy: -142.647 bonds (distance) P-C4' energy: -170.076 flat angles C4'-P-C4' energy: -146.554 flat angles P-C4'-P energy: -90.125 tors. eta vs tors. theta energy: -52.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1010.975266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.975266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.975266 (E_RNA) where: Base-Base interactions energy: -514.214 where: short stacking energy: -287.807 Base-Backbone interact. energy: 6.259 local terms energy: -503.021046 where: bonds (distance) C4'-P energy: -158.391 bonds (distance) P-C4' energy: -127.254 flat angles C4'-P-C4' energy: -144.887 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -9.094 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: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -738.622530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.622530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.622530 (E_RNA) where: Base-Base interactions energy: -315.646 where: short stacking energy: -207.470 Base-Backbone interact. energy: 1.490 local terms energy: -424.467077 where: bonds (distance) C4'-P energy: -142.927 bonds (distance) P-C4' energy: -146.610 flat angles C4'-P-C4' energy: -118.377 flat angles P-C4'-P energy: -57.599 tors. eta vs tors. theta energy: 41.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2472.173964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.173964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.173964 (E_RNA) where: Base-Base interactions energy: -1603.252 where: short stacking energy: -771.425 Base-Backbone interact. energy: -3.484 local terms energy: -865.437772 where: bonds (distance) C4'-P energy: -170.733 bonds (distance) P-C4' energy: -187.489 flat angles C4'-P-C4' energy: -190.382 flat angles P-C4'-P energy: -110.615 tors. eta vs tors. theta energy: -206.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2321.470483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.470483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.470483 (E_RNA) where: Base-Base interactions energy: -1460.876 where: short stacking energy: -740.644 Base-Backbone interact. energy: 2.934 local terms energy: -863.528488 where: bonds (distance) C4'-P energy: -182.492 bonds (distance) P-C4' energy: -189.607 flat angles C4'-P-C4' energy: -185.547 flat angles P-C4'-P energy: -122.903 tors. eta vs tors. theta energy: -182.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1973.734484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.734484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.734484 (E_RNA) where: Base-Base interactions energy: -1246.420 where: short stacking energy: -622.418 Base-Backbone interact. energy: -1.970 local terms energy: -725.344910 where: bonds (distance) C4'-P energy: -150.242 bonds (distance) P-C4' energy: -174.756 flat angles C4'-P-C4' energy: -178.217 flat angles P-C4'-P energy: -104.047 tors. eta vs tors. theta energy: -118.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1718.038197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.038197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.038197 (E_RNA) where: Base-Base interactions energy: -998.580 where: short stacking energy: -532.446 Base-Backbone interact. energy: -0.012 local terms energy: -719.446246 where: bonds (distance) C4'-P energy: -151.113 bonds (distance) P-C4' energy: -167.078 flat angles C4'-P-C4' energy: -173.192 flat angles P-C4'-P energy: -104.938 tors. eta vs tors. theta energy: -123.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1774.251268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.251268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.251268 (E_RNA) where: Base-Base interactions energy: -1065.179 where: short stacking energy: -525.187 Base-Backbone interact. energy: -0.224 local terms energy: -708.848286 where: bonds (distance) C4'-P energy: -159.865 bonds (distance) P-C4' energy: -177.614 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -117.035 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: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1535.315956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.315956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.315956 (E_RNA) where: Base-Base interactions energy: -898.966 where: short stacking energy: -482.596 Base-Backbone interact. energy: -3.550 local terms energy: -632.800234 where: bonds (distance) C4'-P energy: -134.250 bonds (distance) P-C4' energy: -163.639 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -93.505 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: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1657.939580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.939580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.939580 (E_RNA) where: Base-Base interactions energy: -1015.391 where: short stacking energy: -483.045 Base-Backbone interact. energy: -1.719 local terms energy: -640.829573 where: bonds (distance) C4'-P energy: -127.359 bonds (distance) P-C4' energy: -152.559 flat angles C4'-P-C4' energy: -152.679 flat angles P-C4'-P energy: -112.929 tors. eta vs tors. theta energy: -95.304 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: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1360.700969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.700969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.700969 (E_RNA) where: Base-Base interactions energy: -792.547 where: short stacking energy: -447.780 Base-Backbone interact. energy: -0.634 local terms energy: -567.519781 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -140.373 flat angles C4'-P-C4' energy: -111.013 flat angles P-C4'-P energy: -100.723 tors. eta vs tors. theta energy: -80.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -996.576264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.576264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.576264 (E_RNA) where: Base-Base interactions energy: -490.537 where: short stacking energy: -283.969 Base-Backbone interact. energy: -1.571 local terms energy: -504.467534 where: bonds (distance) C4'-P energy: -126.988 bonds (distance) P-C4' energy: -131.030 flat angles C4'-P-C4' energy: -154.385 flat angles P-C4'-P energy: -67.352 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: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -735.704129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.704129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.704129 (E_RNA) where: Base-Base interactions energy: -297.182 where: short stacking energy: -237.290 Base-Backbone interact. energy: 3.982 local terms energy: -442.504029 where: bonds (distance) C4'-P energy: -103.093 bonds (distance) P-C4' energy: -169.672 flat angles C4'-P-C4' energy: -108.786 flat angles P-C4'-P energy: -83.946 tors. eta vs tors. theta energy: 22.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2438.049487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.049487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.049487 (E_RNA) where: Base-Base interactions energy: -1575.862 where: short stacking energy: -782.536 Base-Backbone interact. energy: -2.902 local terms energy: -859.285465 where: bonds (distance) C4'-P energy: -180.141 bonds (distance) P-C4' energy: -182.385 flat angles C4'-P-C4' energy: -183.845 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -194.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2280.807544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.807544 (E_RNA) where: Base-Base interactions energy: -1452.342 where: short stacking energy: -745.169 Base-Backbone interact. energy: -3.333 local terms energy: -825.132794 where: bonds (distance) C4'-P energy: -140.083 bonds (distance) P-C4' energy: -184.920 flat angles C4'-P-C4' energy: -195.234 flat angles P-C4'-P energy: -117.469 tors. eta vs tors. theta energy: -187.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2004.641150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.641150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.641150 (E_RNA) where: Base-Base interactions energy: -1231.307 where: short stacking energy: -615.027 Base-Backbone interact. energy: -3.023 local terms energy: -770.311305 where: bonds (distance) C4'-P energy: -161.852 bonds (distance) P-C4' energy: -167.021 flat angles C4'-P-C4' energy: -184.677 flat angles P-C4'-P energy: -125.538 tors. eta vs tors. theta energy: -131.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1888.165417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.165417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.165417 (E_RNA) where: Base-Base interactions energy: -1152.166 where: short stacking energy: -589.078 Base-Backbone interact. energy: -1.699 local terms energy: -734.300437 where: bonds (distance) C4'-P energy: -159.103 bonds (distance) P-C4' energy: -188.502 flat angles C4'-P-C4' energy: -163.427 flat angles P-C4'-P energy: -107.167 tors. eta vs tors. theta energy: -116.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1765.375615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.375615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.375615 (E_RNA) where: Base-Base interactions energy: -1079.342 where: short stacking energy: -498.766 Base-Backbone interact. energy: 1.009 local terms energy: -687.042682 where: bonds (distance) C4'-P energy: -154.261 bonds (distance) P-C4' energy: -157.246 flat angles C4'-P-C4' energy: -162.302 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -119.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1749.655870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.655870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.655870 (E_RNA) where: Base-Base interactions energy: -1094.628 where: short stacking energy: -514.495 Base-Backbone interact. energy: 3.128 local terms energy: -658.155850 where: bonds (distance) C4'-P energy: -154.037 bonds (distance) P-C4' energy: -147.353 flat angles C4'-P-C4' energy: -174.873 flat angles P-C4'-P energy: -94.917 tors. eta vs tors. theta energy: -86.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1418.619040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.619040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.619040 (E_RNA) where: Base-Base interactions energy: -812.221 where: short stacking energy: -424.239 Base-Backbone interact. energy: 3.350 local terms energy: -609.747720 where: bonds (distance) C4'-P energy: -148.817 bonds (distance) P-C4' energy: -164.970 flat angles C4'-P-C4' energy: -165.422 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -58.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1365.868245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.868245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.868245 (E_RNA) where: Base-Base interactions energy: -771.628 where: short stacking energy: -418.009 Base-Backbone interact. energy: -0.241 local terms energy: -593.999117 where: bonds (distance) C4'-P energy: -134.371 bonds (distance) P-C4' energy: -155.549 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -86.605 tors. eta vs tors. theta energy: -76.317 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -989.625717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.625717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.625717 (E_RNA) where: Base-Base interactions energy: -511.001 where: short stacking energy: -273.586 Base-Backbone interact. energy: 2.482 local terms energy: -481.106425 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -144.557 flat angles C4'-P-C4' energy: -113.061 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -856.560936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.560936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.560936 (E_RNA) where: Base-Base interactions energy: -367.751 where: short stacking energy: -223.695 Base-Backbone interact. energy: -2.033 local terms energy: -486.777065 where: bonds (distance) C4'-P energy: -135.048 bonds (distance) P-C4' energy: -147.246 flat angles C4'-P-C4' energy: -140.063 flat angles P-C4'-P energy: -71.373 tors. eta vs tors. theta energy: 6.954 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: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2488.260991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.260991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.260991 (E_RNA) where: Base-Base interactions energy: -1595.833 where: short stacking energy: -739.647 Base-Backbone interact. energy: -4.821 local terms energy: -887.606666 where: bonds (distance) C4'-P energy: -196.059 bonds (distance) P-C4' energy: -180.141 flat angles C4'-P-C4' energy: -191.612 flat angles P-C4'-P energy: -130.626 tors. eta vs tors. theta energy: -189.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2230.564413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.564413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.564413 (E_RNA) where: Base-Base interactions energy: -1419.572 where: short stacking energy: -711.605 Base-Backbone interact. energy: -2.126 local terms energy: -808.866517 where: bonds (distance) C4'-P energy: -170.393 bonds (distance) P-C4' energy: -187.078 flat angles C4'-P-C4' energy: -185.261 flat angles P-C4'-P energy: -115.217 tors. eta vs tors. theta energy: -150.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2026.499558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.499558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.499558 (E_RNA) where: Base-Base interactions energy: -1298.944 where: short stacking energy: -653.379 Base-Backbone interact. energy: -3.994 local terms energy: -723.561315 where: bonds (distance) C4'-P energy: -165.249 bonds (distance) P-C4' energy: -173.325 flat angles C4'-P-C4' energy: -155.359 flat angles P-C4'-P energy: -88.918 tors. eta vs tors. theta energy: -140.711 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: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1940.275305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.275305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.275305 (E_RNA) where: Base-Base interactions energy: -1209.006 where: short stacking energy: -608.016 Base-Backbone interact. energy: 0.149 local terms energy: -731.417463 where: bonds (distance) C4'-P energy: -155.757 bonds (distance) P-C4' energy: -172.327 flat angles C4'-P-C4' energy: -174.128 flat angles P-C4'-P energy: -110.313 tors. eta vs tors. theta energy: -118.891 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: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1910.274041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.274041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.274041 (E_RNA) where: Base-Base interactions energy: -1215.714 where: short stacking energy: -571.504 Base-Backbone interact. energy: 0.192 local terms energy: -694.752933 where: bonds (distance) C4'-P energy: -170.951 bonds (distance) P-C4' energy: -153.390 flat angles C4'-P-C4' energy: -156.501 flat angles P-C4'-P energy: -97.629 tors. eta vs tors. theta energy: -116.283 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: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1674.094507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.094507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.094507 (E_RNA) where: Base-Base interactions energy: -979.531 where: short stacking energy: -458.528 Base-Backbone interact. energy: 2.852 local terms energy: -697.415513 where: bonds (distance) C4'-P energy: -174.048 bonds (distance) P-C4' energy: -163.479 flat angles C4'-P-C4' energy: -156.540 flat angles P-C4'-P energy: -118.054 tors. eta vs tors. theta energy: -85.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1476.502600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.502600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.502600 (E_RNA) where: Base-Base interactions energy: -887.083 where: short stacking energy: -458.688 Base-Backbone interact. energy: -1.793 local terms energy: -587.625958 where: bonds (distance) C4'-P energy: -136.731 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -120.265 flat angles P-C4'-P energy: -85.164 tors. eta vs tors. theta energy: -86.601 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: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1325.047256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.047256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.047256 (E_RNA) where: Base-Base interactions energy: -805.576 where: short stacking energy: -375.246 Base-Backbone interact. energy: 5.336 local terms energy: -524.807676 where: bonds (distance) C4'-P energy: -121.570 bonds (distance) P-C4' energy: -162.790 flat angles C4'-P-C4' energy: -144.846 flat angles P-C4'-P energy: -67.780 tors. eta vs tors. theta energy: -27.822 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: 32 Temperature: 1.300000 Total energy: -1144.834153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.834153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.834153 (E_RNA) where: Base-Base interactions energy: -632.637 where: short stacking energy: -314.813 Base-Backbone interact. energy: 13.712 local terms energy: -525.909285 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -153.847 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -858.873523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.873523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.873523 (E_RNA) where: Base-Base interactions energy: -427.921 where: short stacking energy: -260.449 Base-Backbone interact. energy: 0.908 local terms energy: -431.860401 where: bonds (distance) C4'-P energy: -119.584 bonds (distance) P-C4' energy: -120.357 flat angles C4'-P-C4' energy: -129.782 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -14.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2574.434249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.434249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.434249 (E_RNA) where: Base-Base interactions energy: -1685.055 where: short stacking energy: -803.185 Base-Backbone interact. energy: -4.360 local terms energy: -885.018766 where: bonds (distance) C4'-P energy: -166.805 bonds (distance) P-C4' energy: -185.039 flat angles C4'-P-C4' energy: -198.887 flat angles P-C4'-P energy: -124.985 tors. eta vs tors. theta energy: -209.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2270.445193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.445193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.445193 (E_RNA) where: Base-Base interactions energy: -1444.623 where: short stacking energy: -703.399 Base-Backbone interact. energy: -3.685 local terms energy: -822.137102 where: bonds (distance) C4'-P energy: -169.339 bonds (distance) P-C4' energy: -192.076 flat angles C4'-P-C4' energy: -176.787 flat angles P-C4'-P energy: -119.978 tors. eta vs tors. theta energy: -163.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2045.021091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.021091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.021091 (E_RNA) where: Base-Base interactions energy: -1287.514 where: short stacking energy: -640.154 Base-Backbone interact. energy: 0.315 local terms energy: -757.821683 where: bonds (distance) C4'-P energy: -162.428 bonds (distance) P-C4' energy: -159.924 flat angles C4'-P-C4' energy: -181.947 flat angles P-C4'-P energy: -116.163 tors. eta vs tors. theta energy: -137.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2009.161147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.161147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.161147 (E_RNA) where: Base-Base interactions energy: -1226.516 where: short stacking energy: -601.007 Base-Backbone interact. energy: -2.158 local terms energy: -780.486766 where: bonds (distance) C4'-P energy: -174.756 bonds (distance) P-C4' energy: -187.473 flat angles C4'-P-C4' energy: -169.715 flat angles P-C4'-P energy: -102.627 tors. eta vs tors. theta energy: -145.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2043.950424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.950424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.950424 (E_RNA) where: Base-Base interactions energy: -1294.762 where: short stacking energy: -605.406 Base-Backbone interact. energy: 0.206 local terms energy: -749.393902 where: bonds (distance) C4'-P energy: -166.900 bonds (distance) P-C4' energy: -173.798 flat angles C4'-P-C4' energy: -162.762 flat angles P-C4'-P energy: -116.641 tors. eta vs tors. theta energy: -129.293 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: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1617.884511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.884511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.884511 (E_RNA) where: Base-Base interactions energy: -982.362 where: short stacking energy: -549.904 Base-Backbone interact. energy: 1.598 local terms energy: -637.121124 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -148.108 flat angles P-C4'-P energy: -99.427 tors. eta vs tors. theta energy: -94.733 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1519.371524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.371524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.371524 (E_RNA) where: Base-Base interactions energy: -896.873 where: short stacking energy: -431.613 Base-Backbone interact. energy: -4.805 local terms energy: -617.694142 where: bonds (distance) C4'-P energy: -146.083 bonds (distance) P-C4' energy: -152.318 flat angles C4'-P-C4' energy: -167.156 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -62.211 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: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1325.898703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.898703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.898703 (E_RNA) where: Base-Base interactions energy: -748.066 where: short stacking energy: -375.812 Base-Backbone interact. energy: 0.094 local terms energy: -577.926553 where: bonds (distance) C4'-P energy: -154.994 bonds (distance) P-C4' energy: -162.313 flat angles C4'-P-C4' energy: -155.228 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: -38.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1130.938805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.938805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.938805 (E_RNA) where: Base-Base interactions energy: -605.822 where: short stacking energy: -324.963 Base-Backbone interact. energy: -2.762 local terms energy: -522.354890 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -152.986 flat angles C4'-P-C4' energy: -121.444 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -20.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -760.074936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.074936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.074936 (E_RNA) where: Base-Base interactions energy: -334.749 where: short stacking energy: -201.707 Base-Backbone interact. energy: 7.696 local terms energy: -433.021292 where: bonds (distance) C4'-P energy: -146.767 bonds (distance) P-C4' energy: -162.616 flat angles C4'-P-C4' energy: -126.805 flat angles P-C4'-P energy: -30.520 tors. eta vs tors. theta energy: 33.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2625.914776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.914776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.914776 (E_RNA) where: Base-Base interactions energy: -1722.336 where: short stacking energy: -818.763 Base-Backbone interact. energy: -7.408 local terms energy: -896.171706 where: bonds (distance) C4'-P energy: -166.141 bonds (distance) P-C4' energy: -183.122 flat angles C4'-P-C4' energy: -206.065 flat angles P-C4'-P energy: -118.698 tors. eta vs tors. theta energy: -222.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2281.970610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.970610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.970610 (E_RNA) where: Base-Base interactions energy: -1442.972 where: short stacking energy: -719.409 Base-Backbone interact. energy: -0.286 local terms energy: -838.712900 where: bonds (distance) C4'-P energy: -169.102 bonds (distance) P-C4' energy: -179.144 flat angles C4'-P-C4' energy: -200.524 flat angles P-C4'-P energy: -123.662 tors. eta vs tors. theta energy: -166.281 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: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2152.893378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.893378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.893378 (E_RNA) where: Base-Base interactions energy: -1340.522 where: short stacking energy: -659.277 Base-Backbone interact. energy: 3.453 local terms energy: -815.824064 where: bonds (distance) C4'-P energy: -176.062 bonds (distance) P-C4' energy: -187.530 flat angles C4'-P-C4' energy: -182.531 flat angles P-C4'-P energy: -113.501 tors. eta vs tors. theta energy: -156.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2033.096943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.096943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.096943 (E_RNA) where: Base-Base interactions energy: -1304.670 where: short stacking energy: -642.235 Base-Backbone interact. energy: 8.511 local terms energy: -736.937312 where: bonds (distance) C4'-P energy: -164.128 bonds (distance) P-C4' energy: -166.804 flat angles C4'-P-C4' energy: -165.594 flat angles P-C4'-P energy: -95.209 tors. eta vs tors. theta energy: -145.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2003.800178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.800178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.800178 (E_RNA) where: Base-Base interactions energy: -1262.815 where: short stacking energy: -599.936 Base-Backbone interact. energy: -0.964 local terms energy: -740.021978 where: bonds (distance) C4'-P energy: -162.035 bonds (distance) P-C4' energy: -155.847 flat angles C4'-P-C4' energy: -181.328 flat angles P-C4'-P energy: -105.875 tors. eta vs tors. theta energy: -134.937 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: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1745.792827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.792827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.792827 (E_RNA) where: Base-Base interactions energy: -1072.342 where: short stacking energy: -540.542 Base-Backbone interact. energy: -3.493 local terms energy: -669.957521 where: bonds (distance) C4'-P energy: -139.782 bonds (distance) P-C4' energy: -147.946 flat angles C4'-P-C4' energy: -173.808 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -93.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1405.644911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.644911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.644911 (E_RNA) where: Base-Base interactions energy: -810.798 where: short stacking energy: -431.708 Base-Backbone interact. energy: -0.510 local terms energy: -594.337304 where: bonds (distance) C4'-P energy: -133.527 bonds (distance) P-C4' energy: -150.753 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -88.885 tors. eta vs tors. theta energy: -70.046 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: 34 Temperature: 1.250000 Total energy: -1283.282579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.282579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.282579 (E_RNA) where: Base-Base interactions energy: -714.582 where: short stacking energy: -391.928 Base-Backbone interact. energy: 1.388 local terms energy: -570.087995 where: bonds (distance) C4'-P energy: -131.370 bonds (distance) P-C4' energy: -162.703 flat angles C4'-P-C4' energy: -161.934 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -47.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1099.828671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.828671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.828671 (E_RNA) where: Base-Base interactions energy: -574.338 where: short stacking energy: -303.538 Base-Backbone interact. energy: -3.997 local terms energy: -521.494174 where: bonds (distance) C4'-P energy: -141.072 bonds (distance) P-C4' energy: -150.480 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -83.975 tors. eta vs tors. theta energy: -21.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -814.317694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.317694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.317694 (E_RNA) where: Base-Base interactions energy: -370.247 where: short stacking energy: -241.574 Base-Backbone interact. energy: 4.498 local terms energy: -448.568809 where: bonds (distance) C4'-P energy: -141.599 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -127.215 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: 27.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2610.406889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.406889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.406889 (E_RNA) where: Base-Base interactions energy: -1717.793 where: short stacking energy: -815.339 Base-Backbone interact. energy: -7.371 local terms energy: -885.242177 where: bonds (distance) C4'-P energy: -163.097 bonds (distance) P-C4' energy: -172.786 flat angles C4'-P-C4' energy: -201.152 flat angles P-C4'-P energy: -133.287 tors. eta vs tors. theta energy: -214.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2290.460103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.460103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.460103 (E_RNA) where: Base-Base interactions energy: -1447.279 where: short stacking energy: -714.424 Base-Backbone interact. energy: -3.834 local terms energy: -839.346938 where: bonds (distance) C4'-P energy: -184.617 bonds (distance) P-C4' energy: -166.701 flat angles C4'-P-C4' energy: -191.760 flat angles P-C4'-P energy: -114.363 tors. eta vs tors. theta energy: -181.907 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: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2139.303213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.303213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.303213 (E_RNA) where: Base-Base interactions energy: -1349.332 where: short stacking energy: -685.294 Base-Backbone interact. energy: 0.911 local terms energy: -790.882306 where: bonds (distance) C4'-P energy: -170.538 bonds (distance) P-C4' energy: -170.835 flat angles C4'-P-C4' energy: -181.534 flat angles P-C4'-P energy: -94.343 tors. eta vs tors. theta energy: -173.632 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: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2122.246983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.246983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.246983 (E_RNA) where: Base-Base interactions energy: -1341.025 where: short stacking energy: -637.703 Base-Backbone interact. energy: -0.531 local terms energy: -780.690787 where: bonds (distance) C4'-P energy: -160.208 bonds (distance) P-C4' energy: -173.537 flat angles C4'-P-C4' energy: -178.137 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -162.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1825.603149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.603149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.603149 (E_RNA) where: Base-Base interactions energy: -1143.985 where: short stacking energy: -569.682 Base-Backbone interact. energy: 0.907 local terms energy: -682.525090 where: bonds (distance) C4'-P energy: -150.733 bonds (distance) P-C4' energy: -176.254 flat angles C4'-P-C4' energy: -164.685 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -98.428 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: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1721.550379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.550379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.550379 (E_RNA) where: Base-Base interactions energy: -1051.407 where: short stacking energy: -524.451 Base-Backbone interact. energy: -3.291 local terms energy: -666.852695 where: bonds (distance) C4'-P energy: -150.397 bonds (distance) P-C4' energy: -163.695 flat angles C4'-P-C4' energy: -158.859 flat angles P-C4'-P energy: -81.550 tors. eta vs tors. theta energy: -112.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1410.531754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.531754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.531754 (E_RNA) where: Base-Base interactions energy: -835.625 where: short stacking energy: -403.171 Base-Backbone interact. energy: 2.475 local terms energy: -577.381597 where: bonds (distance) C4'-P energy: -156.509 bonds (distance) P-C4' energy: -149.681 flat angles C4'-P-C4' energy: -144.570 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -55.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1234.148315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.148315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.148315 (E_RNA) where: Base-Base interactions energy: -650.474 where: short stacking energy: -351.067 Base-Backbone interact. energy: -0.735 local terms energy: -582.938900 where: bonds (distance) C4'-P energy: -161.928 bonds (distance) P-C4' energy: -169.225 flat angles C4'-P-C4' energy: -144.651 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: -39.465 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: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1128.636359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.636359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.636359 (E_RNA) where: Base-Base interactions energy: -607.726 where: short stacking energy: -331.877 Base-Backbone interact. energy: 0.667 local terms energy: -521.577586 where: bonds (distance) C4'-P energy: -146.229 bonds (distance) P-C4' energy: -132.565 flat angles C4'-P-C4' energy: -126.841 flat angles P-C4'-P energy: -65.992 tors. eta vs tors. theta energy: -49.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -901.763441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.763441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.763441 (E_RNA) where: Base-Base interactions energy: -456.646 where: short stacking energy: -252.674 Base-Backbone interact. energy: 10.624 local terms energy: -455.741405 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -149.490 flat angles C4'-P-C4' energy: -130.908 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: 33.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2627.578003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.578003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.578003 (E_RNA) where: Base-Base interactions energy: -1713.054 where: short stacking energy: -828.373 Base-Backbone interact. energy: -2.846 local terms energy: -911.678459 where: bonds (distance) C4'-P energy: -176.197 bonds (distance) P-C4' energy: -195.794 flat angles C4'-P-C4' energy: -198.519 flat angles P-C4'-P energy: -113.740 tors. eta vs tors. theta energy: -227.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2250.120266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.120266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.120266 (E_RNA) where: Base-Base interactions energy: -1428.808 where: short stacking energy: -685.338 Base-Backbone interact. energy: -3.125 local terms energy: -818.186643 where: bonds (distance) C4'-P energy: -180.957 bonds (distance) P-C4' energy: -171.948 flat angles C4'-P-C4' energy: -189.188 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -155.419 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: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2283.894846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.894846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.894846 (E_RNA) where: Base-Base interactions energy: -1469.245 where: short stacking energy: -699.632 Base-Backbone interact. energy: 6.671 local terms energy: -821.321419 where: bonds (distance) C4'-P energy: -176.978 bonds (distance) P-C4' energy: -150.493 flat angles C4'-P-C4' energy: -171.566 flat angles P-C4'-P energy: -132.901 tors. eta vs tors. theta energy: -189.384 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: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2044.653745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.653745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.653745 (E_RNA) where: Base-Base interactions energy: -1282.195 where: short stacking energy: -627.044 Base-Backbone interact. energy: -3.185 local terms energy: -759.273278 where: bonds (distance) C4'-P energy: -167.929 bonds (distance) P-C4' energy: -166.428 flat angles C4'-P-C4' energy: -180.027 flat angles P-C4'-P energy: -105.124 tors. eta vs tors. theta energy: -139.765 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: 36 Temperature: 1.100000 Total energy: -1836.068618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.068618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.068618 (E_RNA) where: Base-Base interactions energy: -1133.966 where: short stacking energy: -565.607 Base-Backbone interact. energy: -2.005 local terms energy: -700.097416 where: bonds (distance) C4'-P energy: -178.760 bonds (distance) P-C4' energy: -159.005 flat angles C4'-P-C4' energy: -163.554 flat angles P-C4'-P energy: -99.327 tors. eta vs tors. theta energy: -99.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1724.312346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.312346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.312346 (E_RNA) where: Base-Base interactions energy: -1013.393 where: short stacking energy: -497.823 Base-Backbone interact. energy: 0.142 local terms energy: -711.061634 where: bonds (distance) C4'-P energy: -162.972 bonds (distance) P-C4' energy: -157.577 flat angles C4'-P-C4' energy: -166.536 flat angles P-C4'-P energy: -111.837 tors. eta vs tors. theta energy: -112.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1309.720203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.720203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.720203 (E_RNA) where: Base-Base interactions energy: -713.520 where: short stacking energy: -390.938 Base-Backbone interact. energy: -1.605 local terms energy: -594.595675 where: bonds (distance) C4'-P energy: -165.603 bonds (distance) P-C4' energy: -165.832 flat angles C4'-P-C4' energy: -129.790 flat angles P-C4'-P energy: -88.466 tors. eta vs tors. theta energy: -44.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1157.773325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.773325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.773325 (E_RNA) where: Base-Base interactions energy: -645.935 where: short stacking energy: -343.979 Base-Backbone interact. energy: 3.270 local terms energy: -515.108398 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -166.166 flat angles C4'-P-C4' energy: -129.124 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -16.754 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: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1147.511720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.511720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.511720 (E_RNA) where: Base-Base interactions energy: -610.968 where: short stacking energy: -331.583 Base-Backbone interact. energy: 9.005 local terms energy: -545.548916 where: bonds (distance) C4'-P energy: -128.840 bonds (distance) P-C4' energy: -168.603 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -62.449 tors. eta vs tors. theta energy: -32.444 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: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -884.358339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.358339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.358339 (E_RNA) where: Base-Base interactions energy: -435.050 where: short stacking energy: -259.093 Base-Backbone interact. energy: 6.469 local terms energy: -455.777455 where: bonds (distance) C4'-P energy: -116.446 bonds (distance) P-C4' energy: -153.270 flat angles C4'-P-C4' energy: -125.237 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2613.375089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.375089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.375089 (E_RNA) where: Base-Base interactions energy: -1699.557 where: short stacking energy: -810.532 Base-Backbone interact. energy: -1.055 local terms energy: -912.763588 where: bonds (distance) C4'-P energy: -184.555 bonds (distance) P-C4' energy: -193.484 flat angles C4'-P-C4' energy: -202.844 flat angles P-C4'-P energy: -119.928 tors. eta vs tors. theta energy: -211.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2383.880527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.880527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.880527 (E_RNA) where: Base-Base interactions energy: -1517.804 where: short stacking energy: -760.101 Base-Backbone interact. energy: -0.664 local terms energy: -865.413449 where: bonds (distance) C4'-P energy: -165.260 bonds (distance) P-C4' energy: -182.200 flat angles C4'-P-C4' energy: -199.080 flat angles P-C4'-P energy: -135.032 tors. eta vs tors. theta energy: -183.842 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: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2235.913430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.913430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.913430 (E_RNA) where: Base-Base interactions energy: -1445.927 where: short stacking energy: -692.455 Base-Backbone interact. energy: 0.532 local terms energy: -790.517915 where: bonds (distance) C4'-P energy: -158.497 bonds (distance) P-C4' energy: -168.435 flat angles C4'-P-C4' energy: -185.897 flat angles P-C4'-P energy: -118.405 tors. eta vs tors. theta energy: -159.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2039.235044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.235044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.235044 (E_RNA) where: Base-Base interactions energy: -1300.556 where: short stacking energy: -640.015 Base-Backbone interact. energy: 1.313 local terms energy: -739.992362 where: bonds (distance) C4'-P energy: -131.851 bonds (distance) P-C4' energy: -180.362 flat angles C4'-P-C4' energy: -171.696 flat angles P-C4'-P energy: -98.380 tors. eta vs tors. theta energy: -157.704 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: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1852.957362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.957362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.957362 (E_RNA) where: Base-Base interactions energy: -1170.263 where: short stacking energy: -529.573 Base-Backbone interact. energy: -2.744 local terms energy: -679.950646 where: bonds (distance) C4'-P energy: -157.609 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -155.312 flat angles P-C4'-P energy: -96.603 tors. eta vs tors. theta energy: -110.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1738.483563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.483563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.483563 (E_RNA) where: Base-Base interactions energy: -1070.255 where: short stacking energy: -507.968 Base-Backbone interact. energy: 1.247 local terms energy: -669.475347 where: bonds (distance) C4'-P energy: -150.434 bonds (distance) P-C4' energy: -152.160 flat angles C4'-P-C4' energy: -154.435 flat angles P-C4'-P energy: -115.056 tors. eta vs tors. theta energy: -97.392 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: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1273.076937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.076937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.076937 (E_RNA) where: Base-Base interactions energy: -703.615 where: short stacking energy: -416.384 Base-Backbone interact. energy: 2.125 local terms energy: -571.586978 where: bonds (distance) C4'-P energy: -145.571 bonds (distance) P-C4' energy: -168.971 flat angles C4'-P-C4' energy: -134.961 flat angles P-C4'-P energy: -70.273 tors. eta vs tors. theta energy: -51.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1241.958790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.958790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.958790 (E_RNA) where: Base-Base interactions energy: -679.089 where: short stacking energy: -361.815 Base-Backbone interact. energy: 2.000 local terms energy: -564.869833 where: bonds (distance) C4'-P energy: -141.551 bonds (distance) P-C4' energy: -159.402 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -28.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1191.443234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.443234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.443234 (E_RNA) where: Base-Base interactions energy: -667.426 where: short stacking energy: -344.819 Base-Backbone interact. energy: 4.866 local terms energy: -528.883058 where: bonds (distance) C4'-P energy: -160.168 bonds (distance) P-C4' energy: -149.658 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -81.103 tors. eta vs tors. theta energy: -25.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -908.889537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.889537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.889537 (E_RNA) where: Base-Base interactions energy: -474.096 where: short stacking energy: -260.385 Base-Backbone interact. energy: 9.097 local terms energy: -443.890420 where: bonds (distance) C4'-P energy: -133.380 bonds (distance) P-C4' energy: -152.554 flat angles C4'-P-C4' energy: -110.777 flat angles P-C4'-P energy: -67.102 tors. eta vs tors. theta energy: 19.923 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: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2595.174052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.174052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.174052 (E_RNA) where: Base-Base interactions energy: -1729.107 where: short stacking energy: -834.751 Base-Backbone interact. energy: 5.305 local terms energy: -871.372782 where: bonds (distance) C4'-P energy: -162.618 bonds (distance) P-C4' energy: -167.729 flat angles C4'-P-C4' energy: -205.616 flat angles P-C4'-P energy: -122.725 tors. eta vs tors. theta energy: -212.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2439.441845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.441845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.441845 (E_RNA) where: Base-Base interactions energy: -1590.321 where: short stacking energy: -750.911 Base-Backbone interact. energy: -1.573 local terms energy: -847.547833 where: bonds (distance) C4'-P energy: -163.700 bonds (distance) P-C4' energy: -176.734 flat angles C4'-P-C4' energy: -196.421 flat angles P-C4'-P energy: -115.829 tors. eta vs tors. theta energy: -194.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2252.732512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.732512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.732512 (E_RNA) where: Base-Base interactions energy: -1465.519 where: short stacking energy: -669.613 Base-Backbone interact. energy: -4.735 local terms energy: -782.478521 where: bonds (distance) C4'-P energy: -173.230 bonds (distance) P-C4' energy: -182.694 flat angles C4'-P-C4' energy: -177.312 flat angles P-C4'-P energy: -96.094 tors. eta vs tors. theta energy: -153.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2067.337914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.337914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.337914 (E_RNA) where: Base-Base interactions energy: -1318.282 where: short stacking energy: -620.889 Base-Backbone interact. energy: 0.517 local terms energy: -749.573078 where: bonds (distance) C4'-P energy: -155.829 bonds (distance) P-C4' energy: -179.373 flat angles C4'-P-C4' energy: -169.827 flat angles P-C4'-P energy: -89.302 tors. eta vs tors. theta energy: -155.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1980.185707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.185707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.185707 (E_RNA) where: Base-Base interactions energy: -1233.004 where: short stacking energy: -627.477 Base-Backbone interact. energy: 2.500 local terms energy: -749.681601 where: bonds (distance) C4'-P energy: -158.514 bonds (distance) P-C4' energy: -156.219 flat angles C4'-P-C4' energy: -163.571 flat angles P-C4'-P energy: -120.347 tors. eta vs tors. theta energy: -151.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1773.224625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.224625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.224625 (E_RNA) where: Base-Base interactions energy: -1099.937 where: short stacking energy: -530.273 Base-Backbone interact. energy: 2.004 local terms energy: -675.291394 where: bonds (distance) C4'-P energy: -151.968 bonds (distance) P-C4' energy: -156.531 flat angles C4'-P-C4' energy: -156.661 flat angles P-C4'-P energy: -102.014 tors. eta vs tors. theta energy: -108.117 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: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1353.218438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.218438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.218438 (E_RNA) where: Base-Base interactions energy: -778.066 where: short stacking energy: -417.135 Base-Backbone interact. energy: 4.518 local terms energy: -579.670010 where: bonds (distance) C4'-P energy: -149.834 bonds (distance) P-C4' energy: -162.825 flat angles C4'-P-C4' energy: -138.176 flat angles P-C4'-P energy: -84.246 tors. eta vs tors. theta energy: -44.589 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: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1277.796561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.796561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.796561 (E_RNA) where: Base-Base interactions energy: -692.340 where: short stacking energy: -365.914 Base-Backbone interact. energy: -0.149 local terms energy: -585.307712 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -168.415 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -85.944 tors. eta vs tors. theta energy: -36.670 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: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1182.600029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.600029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.600029 (E_RNA) where: Base-Base interactions energy: -658.791 where: short stacking energy: -327.606 Base-Backbone interact. energy: 1.172 local terms energy: -524.981444 where: bonds (distance) C4'-P energy: -122.251 bonds (distance) P-C4' energy: -159.962 flat angles C4'-P-C4' energy: -138.666 flat angles P-C4'-P energy: -79.912 tors. eta vs tors. theta energy: -24.190 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: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -966.204530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.204530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.204530 (E_RNA) where: Base-Base interactions energy: -481.257 where: short stacking energy: -299.275 Base-Backbone interact. energy: 3.351 local terms energy: -488.298441 where: bonds (distance) C4'-P energy: -148.008 bonds (distance) P-C4' energy: -155.869 flat angles C4'-P-C4' energy: -118.367 flat angles P-C4'-P energy: -60.200 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2683.171491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.171491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.171491 (E_RNA) where: Base-Base interactions energy: -1737.205 where: short stacking energy: -805.166 Base-Backbone interact. energy: -2.211 local terms energy: -943.755430 where: bonds (distance) C4'-P energy: -191.699 bonds (distance) P-C4' energy: -184.346 flat angles C4'-P-C4' energy: -208.928 flat angles P-C4'-P energy: -130.315 tors. eta vs tors. theta energy: -228.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2425.142515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.142515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.142515 (E_RNA) where: Base-Base interactions energy: -1588.241 where: short stacking energy: -740.820 Base-Backbone interact. energy: -1.615 local terms energy: -835.287189 where: bonds (distance) C4'-P energy: -162.060 bonds (distance) P-C4' energy: -187.875 flat angles C4'-P-C4' energy: -182.574 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -185.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2171.407419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.407419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.407419 (E_RNA) where: Base-Base interactions energy: -1373.670 where: short stacking energy: -640.097 Base-Backbone interact. energy: -3.590 local terms energy: -794.147195 where: bonds (distance) C4'-P energy: -174.750 bonds (distance) P-C4' energy: -175.232 flat angles C4'-P-C4' energy: -184.048 flat angles P-C4'-P energy: -116.508 tors. eta vs tors. theta energy: -143.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2072.741194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.741194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.741194 (E_RNA) where: Base-Base interactions energy: -1321.401 where: short stacking energy: -639.584 Base-Backbone interact. energy: -2.621 local terms energy: -748.718962 where: bonds (distance) C4'-P energy: -158.403 bonds (distance) P-C4' energy: -147.717 flat angles C4'-P-C4' energy: -182.244 flat angles P-C4'-P energy: -108.088 tors. eta vs tors. theta energy: -152.267 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: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2037.869313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.869313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.869313 (E_RNA) where: Base-Base interactions energy: -1291.626 where: short stacking energy: -602.480 Base-Backbone interact. energy: 0.760 local terms energy: -747.003319 where: bonds (distance) C4'-P energy: -168.469 bonds (distance) P-C4' energy: -162.532 flat angles C4'-P-C4' energy: -189.002 flat angles P-C4'-P energy: -83.535 tors. eta vs tors. theta energy: -143.466 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: 39 Temperature: 1.150000 Total energy: -1738.708734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.708734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.708734 (E_RNA) where: Base-Base interactions energy: -1088.172 where: short stacking energy: -532.360 Base-Backbone interact. energy: -3.397 local terms energy: -647.140340 where: bonds (distance) C4'-P energy: -158.447 bonds (distance) P-C4' energy: -160.182 flat angles C4'-P-C4' energy: -150.805 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -100.814 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: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1479.933646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.933646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.933646 (E_RNA) where: Base-Base interactions energy: -878.705 where: short stacking energy: -445.737 Base-Backbone interact. energy: 1.452 local terms energy: -602.680630 where: bonds (distance) C4'-P energy: -131.166 bonds (distance) P-C4' energy: -154.810 flat angles C4'-P-C4' energy: -147.923 flat angles P-C4'-P energy: -99.718 tors. eta vs tors. theta energy: -69.064 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: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1257.654493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.654493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.654493 (E_RNA) where: Base-Base interactions energy: -689.303 where: short stacking energy: -355.279 Base-Backbone interact. energy: 1.631 local terms energy: -569.982636 where: bonds (distance) C4'-P energy: -133.927 bonds (distance) P-C4' energy: -160.688 flat angles C4'-P-C4' energy: -137.619 flat angles P-C4'-P energy: -97.929 tors. eta vs tors. theta energy: -39.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1177.571711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.571711 (E_RNA) where: Base-Base interactions energy: -647.818 where: short stacking energy: -330.112 Base-Backbone interact. energy: -0.024 local terms energy: -529.729418 where: bonds (distance) C4'-P energy: -132.662 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -134.952 flat angles P-C4'-P energy: -89.132 tors. eta vs tors. theta energy: -22.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -937.719114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.719114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.719114 (E_RNA) where: Base-Base interactions energy: -450.098 where: short stacking energy: -267.941 Base-Backbone interact. energy: 6.211 local terms energy: -493.832609 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -134.682 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -5.936 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: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2677.057285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.057285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.057285 (E_RNA) where: Base-Base interactions energy: -1765.442 where: short stacking energy: -854.160 Base-Backbone interact. energy: -5.699 local terms energy: -905.916289 where: bonds (distance) C4'-P energy: -174.140 bonds (distance) P-C4' energy: -172.491 flat angles C4'-P-C4' energy: -194.860 flat angles P-C4'-P energy: -119.464 tors. eta vs tors. theta energy: -244.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2467.418847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.418847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.418847 (E_RNA) where: Base-Base interactions energy: -1605.403 where: short stacking energy: -751.775 Base-Backbone interact. energy: 0.413 local terms energy: -862.428437 where: bonds (distance) C4'-P energy: -170.369 bonds (distance) P-C4' energy: -170.579 flat angles C4'-P-C4' energy: -188.088 flat angles P-C4'-P energy: -143.201 tors. eta vs tors. theta energy: -190.191 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: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2163.925289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.925289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.925289 (E_RNA) where: Base-Base interactions energy: -1411.983 where: short stacking energy: -631.826 Base-Backbone interact. energy: -2.921 local terms energy: -749.021538 where: bonds (distance) C4'-P energy: -156.473 bonds (distance) P-C4' energy: -161.510 flat angles C4'-P-C4' energy: -169.573 flat angles P-C4'-P energy: -125.448 tors. eta vs tors. theta energy: -136.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2086.293979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.293979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.293979 (E_RNA) where: Base-Base interactions energy: -1312.266 where: short stacking energy: -646.365 Base-Backbone interact. energy: 1.542 local terms energy: -775.569569 where: bonds (distance) C4'-P energy: -167.398 bonds (distance) P-C4' energy: -160.656 flat angles C4'-P-C4' energy: -183.363 flat angles P-C4'-P energy: -105.315 tors. eta vs tors. theta energy: -158.838 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: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2080.304265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.304265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.304265 (E_RNA) where: Base-Base interactions energy: -1312.038 where: short stacking energy: -637.661 Base-Backbone interact. energy: -3.399 local terms energy: -764.868046 where: bonds (distance) C4'-P energy: -150.676 bonds (distance) P-C4' energy: -160.936 flat angles C4'-P-C4' energy: -171.435 flat angles P-C4'-P energy: -104.763 tors. eta vs tors. theta energy: -177.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1728.376130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.376130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.376130 (E_RNA) where: Base-Base interactions energy: -1076.764 where: short stacking energy: -509.909 Base-Backbone interact. energy: 0.131 local terms energy: -651.743453 where: bonds (distance) C4'-P energy: -149.021 bonds (distance) P-C4' energy: -163.855 flat angles C4'-P-C4' energy: -162.693 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -90.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1501.558790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.558790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.558790 (E_RNA) where: Base-Base interactions energy: -911.650 where: short stacking energy: -417.368 Base-Backbone interact. energy: 2.461 local terms energy: -592.369835 where: bonds (distance) C4'-P energy: -136.194 bonds (distance) P-C4' energy: -158.368 flat angles C4'-P-C4' energy: -166.959 flat angles P-C4'-P energy: -75.008 tors. eta vs tors. theta energy: -55.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1217.578393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.578393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.578393 (E_RNA) where: Base-Base interactions energy: -654.243 where: short stacking energy: -344.726 Base-Backbone interact. energy: -1.995 local terms energy: -561.340140 where: bonds (distance) C4'-P energy: -139.790 bonds (distance) P-C4' energy: -164.636 flat angles C4'-P-C4' energy: -131.095 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -37.414 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: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1194.795255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.795255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.795255 (E_RNA) where: Base-Base interactions energy: -668.982 where: short stacking energy: -338.949 Base-Backbone interact. energy: 3.587 local terms energy: -529.400352 where: bonds (distance) C4'-P energy: -130.934 bonds (distance) P-C4' energy: -149.647 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -42.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -932.295890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.295890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.295890 (E_RNA) where: Base-Base interactions energy: -466.241 where: short stacking energy: -259.824 Base-Backbone interact. energy: 1.432 local terms energy: -467.487044 where: bonds (distance) C4'-P energy: -146.605 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -116.402 flat angles P-C4'-P energy: -72.018 tors. eta vs tors. theta energy: 14.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2667.962715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.962715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.962715 (E_RNA) where: Base-Base interactions energy: -1745.939 where: short stacking energy: -837.063 Base-Backbone interact. energy: -2.200 local terms energy: -919.824497 where: bonds (distance) C4'-P energy: -177.667 bonds (distance) P-C4' energy: -191.014 flat angles C4'-P-C4' energy: -197.249 flat angles P-C4'-P energy: -125.633 tors. eta vs tors. theta energy: -228.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2524.920738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.920738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.920738 (E_RNA) where: Base-Base interactions energy: -1682.393 where: short stacking energy: -794.663 Base-Backbone interact. energy: 2.702 local terms energy: -845.229052 where: bonds (distance) C4'-P energy: -164.459 bonds (distance) P-C4' energy: -172.172 flat angles C4'-P-C4' energy: -183.171 flat angles P-C4'-P energy: -129.606 tors. eta vs tors. theta energy: -195.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2259.871599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.871599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.871599 (E_RNA) where: Base-Base interactions energy: -1480.933 where: short stacking energy: -663.124 Base-Backbone interact. energy: -1.992 local terms energy: -776.946389 where: bonds (distance) C4'-P energy: -167.735 bonds (distance) P-C4' energy: -179.439 flat angles C4'-P-C4' energy: -174.699 flat angles P-C4'-P energy: -91.794 tors. eta vs tors. theta energy: -163.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2136.367834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.367834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.367834 (E_RNA) where: Base-Base interactions energy: -1400.783 where: short stacking energy: -679.264 Base-Backbone interact. energy: -2.033 local terms energy: -733.552171 where: bonds (distance) C4'-P energy: -175.784 bonds (distance) P-C4' energy: -165.866 flat angles C4'-P-C4' energy: -152.524 flat angles P-C4'-P energy: -87.208 tors. eta vs tors. theta energy: -152.170 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: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2099.113070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.113070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.113070 (E_RNA) where: Base-Base interactions energy: -1345.818 where: short stacking energy: -642.210 Base-Backbone interact. energy: -1.300 local terms energy: -751.994701 where: bonds (distance) C4'-P energy: -152.249 bonds (distance) P-C4' energy: -161.969 flat angles C4'-P-C4' energy: -176.295 flat angles P-C4'-P energy: -109.871 tors. eta vs tors. theta energy: -151.610 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: 41 Temperature: 1.150000 Total energy: -1778.958424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.958424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.958424 (E_RNA) where: Base-Base interactions energy: -1115.003 where: short stacking energy: -519.582 Base-Backbone interact. energy: 3.982 local terms energy: -667.937423 where: bonds (distance) C4'-P energy: -162.148 bonds (distance) P-C4' energy: -157.353 flat angles C4'-P-C4' energy: -149.624 flat angles P-C4'-P energy: -106.828 tors. eta vs tors. theta energy: -91.985 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: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1429.015298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.015298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.015298 (E_RNA) where: Base-Base interactions energy: -836.375 where: short stacking energy: -445.858 Base-Backbone interact. energy: -1.609 local terms energy: -591.032148 where: bonds (distance) C4'-P energy: -146.028 bonds (distance) P-C4' energy: -143.406 flat angles C4'-P-C4' energy: -145.164 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -70.414 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: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1229.291574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.291574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.291574 (E_RNA) where: Base-Base interactions energy: -668.914 where: short stacking energy: -368.428 Base-Backbone interact. energy: -4.327 local terms energy: -556.051169 where: bonds (distance) C4'-P energy: -152.559 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -124.536 flat angles P-C4'-P energy: -91.124 tors. eta vs tors. theta energy: -51.100 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: 41 Temperature: 1.300000 Total energy: -1156.766646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.766646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.766646 (E_RNA) where: Base-Base interactions energy: -626.644 where: short stacking energy: -366.851 Base-Backbone interact. energy: -0.708 local terms energy: -529.413765 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -137.160 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -19.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -949.669418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.669418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.669418 (E_RNA) where: Base-Base interactions energy: -450.524 where: short stacking energy: -277.853 Base-Backbone interact. energy: 8.453 local terms energy: -507.598614 where: bonds (distance) C4'-P energy: -120.489 bonds (distance) P-C4' energy: -132.885 flat angles C4'-P-C4' energy: -143.210 flat angles P-C4'-P energy: -90.691 tors. eta vs tors. theta energy: -20.324 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: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2682.877753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.877753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.877753 (E_RNA) where: Base-Base interactions energy: -1781.603 where: short stacking energy: -836.728 Base-Backbone interact. energy: -3.090 local terms energy: -898.184429 where: bonds (distance) C4'-P energy: -166.896 bonds (distance) P-C4' energy: -187.713 flat angles C4'-P-C4' energy: -188.671 flat angles P-C4'-P energy: -127.549 tors. eta vs tors. theta energy: -227.356 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: 42 Temperature: 0.950000 Total energy: -2571.478614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.478614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.478614 (E_RNA) where: Base-Base interactions energy: -1692.976 where: short stacking energy: -778.521 Base-Backbone interact. energy: 0.249 local terms energy: -878.751144 where: bonds (distance) C4'-P energy: -168.732 bonds (distance) P-C4' energy: -185.261 flat angles C4'-P-C4' energy: -207.279 flat angles P-C4'-P energy: -122.469 tors. eta vs tors. theta energy: -195.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2251.729599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.729599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.729599 (E_RNA) where: Base-Base interactions energy: -1474.002 where: short stacking energy: -670.722 Base-Backbone interact. energy: 0.073 local terms energy: -777.801021 where: bonds (distance) C4'-P energy: -158.447 bonds (distance) P-C4' energy: -172.717 flat angles C4'-P-C4' energy: -178.906 flat angles P-C4'-P energy: -105.890 tors. eta vs tors. theta energy: -161.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2145.277615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.277615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.277615 (E_RNA) where: Base-Base interactions energy: -1393.150 where: short stacking energy: -678.864 Base-Backbone interact. energy: 2.373 local terms energy: -754.500390 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -159.501 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -163.693 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: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2172.535440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.535440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.535440 (E_RNA) where: Base-Base interactions energy: -1367.264 where: short stacking energy: -636.741 Base-Backbone interact. energy: -4.483 local terms energy: -800.788527 where: bonds (distance) C4'-P energy: -177.665 bonds (distance) P-C4' energy: -177.187 flat angles C4'-P-C4' energy: -179.323 flat angles P-C4'-P energy: -108.707 tors. eta vs tors. theta energy: -157.907 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: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1709.127573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.127573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.127573 (E_RNA) where: Base-Base interactions energy: -1052.908 where: short stacking energy: -469.554 Base-Backbone interact. energy: 1.339 local terms energy: -657.558349 where: bonds (distance) C4'-P energy: -146.900 bonds (distance) P-C4' energy: -168.896 flat angles C4'-P-C4' energy: -169.045 flat angles P-C4'-P energy: -88.124 tors. eta vs tors. theta energy: -84.593 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1416.123877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.123877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.123877 (E_RNA) where: Base-Base interactions energy: -830.837 where: short stacking energy: -410.737 Base-Backbone interact. energy: 0.162 local terms energy: -585.449023 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -153.511 flat angles C4'-P-C4' energy: -138.995 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -60.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1310.720094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.720094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.720094 (E_RNA) where: Base-Base interactions energy: -737.610 where: short stacking energy: -373.105 Base-Backbone interact. energy: 2.203 local terms energy: -575.313518 where: bonds (distance) C4'-P energy: -123.829 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -144.366 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -73.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1164.938215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.938215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.938215 (E_RNA) where: Base-Base interactions energy: -629.528 where: short stacking energy: -343.947 Base-Backbone interact. energy: -1.401 local terms energy: -534.009144 where: bonds (distance) C4'-P energy: -144.972 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -109.375 flat angles P-C4'-P energy: -79.529 tors. eta vs tors. theta energy: -40.307 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: 10, replica: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -915.668103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.668103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.668103 (E_RNA) where: Base-Base interactions energy: -426.921 where: short stacking energy: -261.280 Base-Backbone interact. energy: 6.673 local terms energy: -495.419959 where: bonds (distance) C4'-P energy: -144.771 bonds (distance) P-C4' energy: -136.347 flat angles C4'-P-C4' energy: -135.639 flat angles P-C4'-P energy: -69.541 tors. eta vs tors. theta energy: -9.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2648.089260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.089260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.089260 (E_RNA) where: Base-Base interactions energy: -1750.836 where: short stacking energy: -820.449 Base-Backbone interact. energy: -5.014 local terms energy: -892.239637 where: bonds (distance) C4'-P energy: -174.805 bonds (distance) P-C4' energy: -170.562 flat angles C4'-P-C4' energy: -204.068 flat angles P-C4'-P energy: -121.478 tors. eta vs tors. theta energy: -221.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2582.848495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.848495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.848495 (E_RNA) where: Base-Base interactions energy: -1696.027 where: short stacking energy: -800.216 Base-Backbone interact. energy: -4.980 local terms energy: -881.841774 where: bonds (distance) C4'-P energy: -172.507 bonds (distance) P-C4' energy: -175.728 flat angles C4'-P-C4' energy: -200.111 flat angles P-C4'-P energy: -122.873 tors. eta vs tors. theta energy: -210.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2280.209308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.209308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.209308 (E_RNA) where: Base-Base interactions energy: -1473.116 where: short stacking energy: -678.658 Base-Backbone interact. energy: -0.473 local terms energy: -806.620684 where: bonds (distance) C4'-P energy: -173.903 bonds (distance) P-C4' energy: -165.509 flat angles C4'-P-C4' energy: -189.854 flat angles P-C4'-P energy: -118.334 tors. eta vs tors. theta energy: -159.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2157.219565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.219565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.219565 (E_RNA) where: Base-Base interactions energy: -1330.509 where: short stacking energy: -653.890 Base-Backbone interact. energy: -2.455 local terms energy: -824.255407 where: bonds (distance) C4'-P energy: -168.152 bonds (distance) P-C4' energy: -182.675 flat angles C4'-P-C4' energy: -191.734 flat angles P-C4'-P energy: -119.261 tors. eta vs tors. theta energy: -162.433 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: 7 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2095.901748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.901748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.901748 (E_RNA) where: Base-Base interactions energy: -1372.927 where: short stacking energy: -655.538 Base-Backbone interact. energy: 0.326 local terms energy: -723.301550 where: bonds (distance) C4'-P energy: -138.354 bonds (distance) P-C4' energy: -171.234 flat angles C4'-P-C4' energy: -174.020 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: -153.831 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: 6, replica: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1702.956394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.956394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.956394 (E_RNA) where: Base-Base interactions energy: -1040.262 where: short stacking energy: -499.924 Base-Backbone interact. energy: -1.610 local terms energy: -661.085161 where: bonds (distance) C4'-P energy: -159.160 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -149.569 flat angles P-C4'-P energy: -103.346 tors. eta vs tors. theta energy: -97.526 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: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1550.366999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.366999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.366999 (E_RNA) where: Base-Base interactions energy: -892.640 where: short stacking energy: -482.520 Base-Backbone interact. energy: 1.528 local terms energy: -659.255303 where: bonds (distance) C4'-P energy: -157.777 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -159.280 flat angles P-C4'-P energy: -97.235 tors. eta vs tors. theta energy: -91.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1307.403799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.403799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.403799 (E_RNA) where: Base-Base interactions energy: -742.850 where: short stacking energy: -374.521 Base-Backbone interact. energy: 0.681 local terms energy: -565.235309 where: bonds (distance) C4'-P energy: -139.413 bonds (distance) P-C4' energy: -155.608 flat angles C4'-P-C4' energy: -148.596 flat angles P-C4'-P energy: -86.239 tors. eta vs tors. theta energy: -35.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1159.542622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.542622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.542622 (E_RNA) where: Base-Base interactions energy: -641.500 where: short stacking energy: -342.783 Base-Backbone interact. energy: 6.617 local terms energy: -524.659294 where: bonds (distance) C4'-P energy: -137.240 bonds (distance) P-C4' energy: -153.408 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -31.557 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: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1019.037096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.037096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.037096 (E_RNA) where: Base-Base interactions energy: -520.244 where: short stacking energy: -311.926 Base-Backbone interact. energy: 3.151 local terms energy: -501.944140 where: bonds (distance) C4'-P energy: -151.373 bonds (distance) P-C4' energy: -131.793 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: -32.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2681.600045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.600045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.600045 (E_RNA) where: Base-Base interactions energy: -1767.643 where: short stacking energy: -851.192 Base-Backbone interact. energy: -4.259 local terms energy: -909.697955 where: bonds (distance) C4'-P energy: -162.843 bonds (distance) P-C4' energy: -185.190 flat angles C4'-P-C4' energy: -206.372 flat angles P-C4'-P energy: -126.627 tors. eta vs tors. theta energy: -228.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2618.429822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.429822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.429822 (E_RNA) where: Base-Base interactions energy: -1742.181 where: short stacking energy: -797.821 Base-Backbone interact. energy: -3.587 local terms energy: -872.662187 where: bonds (distance) C4'-P energy: -170.120 bonds (distance) P-C4' energy: -172.372 flat angles C4'-P-C4' energy: -196.247 flat angles P-C4'-P energy: -127.684 tors. eta vs tors. theta energy: -206.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2289.075947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.075947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.075947 (E_RNA) where: Base-Base interactions energy: -1511.072 where: short stacking energy: -675.723 Base-Backbone interact. energy: -0.274 local terms energy: -777.730358 where: bonds (distance) C4'-P energy: -165.907 bonds (distance) P-C4' energy: -164.277 flat angles C4'-P-C4' energy: -188.217 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -152.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2149.725417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.725417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.725417 (E_RNA) where: Base-Base interactions energy: -1354.501 where: short stacking energy: -656.296 Base-Backbone interact. energy: -2.564 local terms energy: -792.660125 where: bonds (distance) C4'-P energy: -163.966 bonds (distance) P-C4' energy: -176.609 flat angles C4'-P-C4' energy: -170.634 flat angles P-C4'-P energy: -116.103 tors. eta vs tors. theta energy: -165.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2161.837198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.837198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.837198 (E_RNA) where: Base-Base interactions energy: -1434.105 where: short stacking energy: -642.931 Base-Backbone interact. energy: -3.430 local terms energy: -724.302738 where: bonds (distance) C4'-P energy: -151.423 bonds (distance) P-C4' energy: -155.918 flat angles C4'-P-C4' energy: -172.705 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -153.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1741.187726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.187726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.187726 (E_RNA) where: Base-Base interactions energy: -1081.585 where: short stacking energy: -499.105 Base-Backbone interact. energy: 4.893 local terms energy: -664.495738 where: bonds (distance) C4'-P energy: -163.091 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -88.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1434.066618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.066618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.066618 (E_RNA) where: Base-Base interactions energy: -824.250 where: short stacking energy: -447.647 Base-Backbone interact. energy: 0.146 local terms energy: -609.962501 where: bonds (distance) C4'-P energy: -130.078 bonds (distance) P-C4' energy: -168.239 flat angles C4'-P-C4' energy: -165.893 flat angles P-C4'-P energy: -85.653 tors. eta vs tors. theta energy: -60.099 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: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1265.859035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.859035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.859035 (E_RNA) where: Base-Base interactions energy: -730.922 where: short stacking energy: -387.955 Base-Backbone interact. energy: 3.078 local terms energy: -538.015358 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -156.834 flat angles C4'-P-C4' energy: -142.309 flat angles P-C4'-P energy: -73.284 tors. eta vs tors. theta energy: -31.629 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: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1177.936016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.936016 (E_RNA) where: Base-Base interactions energy: -635.786 where: short stacking energy: -353.698 Base-Backbone interact. energy: 1.652 local terms energy: -543.802027 where: bonds (distance) C4'-P energy: -140.040 bonds (distance) P-C4' energy: -165.302 flat angles C4'-P-C4' energy: -138.927 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -30.713 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: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -980.516624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.516624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.516624 (E_RNA) where: Base-Base interactions energy: -512.157 where: short stacking energy: -296.876 Base-Backbone interact. energy: 1.490 local terms energy: -469.849546 where: bonds (distance) C4'-P energy: -146.592 bonds (distance) P-C4' energy: -137.502 flat angles C4'-P-C4' energy: -123.216 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2727.486048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.486048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.486048 (E_RNA) where: Base-Base interactions energy: -1807.203 where: short stacking energy: -828.390 Base-Backbone interact. energy: -5.264 local terms energy: -915.019284 where: bonds (distance) C4'-P energy: -173.413 bonds (distance) P-C4' energy: -184.220 flat angles C4'-P-C4' energy: -196.292 flat angles P-C4'-P energy: -120.446 tors. eta vs tors. theta energy: -240.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2606.784887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.784887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.784887 (E_RNA) where: Base-Base interactions energy: -1709.469 where: short stacking energy: -787.673 Base-Backbone interact. energy: -3.659 local terms energy: -893.656878 where: bonds (distance) C4'-P energy: -189.471 bonds (distance) P-C4' energy: -188.633 flat angles C4'-P-C4' energy: -199.779 flat angles P-C4'-P energy: -114.098 tors. eta vs tors. theta energy: -201.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2356.052891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.052891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.052891 (E_RNA) where: Base-Base interactions energy: -1533.808 where: short stacking energy: -680.534 Base-Backbone interact. energy: -4.003 local terms energy: -818.242108 where: bonds (distance) C4'-P energy: -177.708 bonds (distance) P-C4' energy: -178.995 flat angles C4'-P-C4' energy: -183.349 flat angles P-C4'-P energy: -115.045 tors. eta vs tors. theta energy: -163.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2271.410131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.410131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.410131 (E_RNA) where: Base-Base interactions energy: -1507.581 where: short stacking energy: -711.121 Base-Backbone interact. energy: 3.177 local terms energy: -767.005795 where: bonds (distance) C4'-P energy: -155.531 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -177.565 flat angles P-C4'-P energy: -118.942 tors. eta vs tors. theta energy: -162.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1996.184703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.184703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.184703 (E_RNA) where: Base-Base interactions energy: -1282.098 where: short stacking energy: -627.575 Base-Backbone interact. energy: -2.708 local terms energy: -711.378517 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -135.905 flat angles C4'-P-C4' energy: -192.413 flat angles P-C4'-P energy: -105.381 tors. eta vs tors. theta energy: -130.382 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: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1839.243596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.243596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.243596 (E_RNA) where: Base-Base interactions energy: -1136.043 where: short stacking energy: -532.432 Base-Backbone interact. energy: 0.987 local terms energy: -704.187431 where: bonds (distance) C4'-P energy: -148.136 bonds (distance) P-C4' energy: -173.181 flat angles C4'-P-C4' energy: -172.365 flat angles P-C4'-P energy: -115.797 tors. eta vs tors. theta energy: -94.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1491.810881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.810881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.810881 (E_RNA) where: Base-Base interactions energy: -863.000 where: short stacking energy: -449.958 Base-Backbone interact. energy: -2.840 local terms energy: -625.970908 where: bonds (distance) C4'-P energy: -148.412 bonds (distance) P-C4' energy: -157.438 flat angles C4'-P-C4' energy: -154.131 flat angles P-C4'-P energy: -104.194 tors. eta vs tors. theta energy: -61.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1248.262712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.262712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.262712 (E_RNA) where: Base-Base interactions energy: -685.649 where: short stacking energy: -376.036 Base-Backbone interact. energy: -2.249 local terms energy: -560.365028 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -132.805 flat angles C4'-P-C4' energy: -150.049 flat angles P-C4'-P energy: -80.498 tors. eta vs tors. theta energy: -50.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1120.486002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.486002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.486002 (E_RNA) where: Base-Base interactions energy: -568.115 where: short stacking energy: -308.405 Base-Backbone interact. energy: 0.403 local terms energy: -552.773321 where: bonds (distance) C4'-P energy: -151.309 bonds (distance) P-C4' energy: -180.013 flat angles C4'-P-C4' energy: -137.237 flat angles P-C4'-P energy: -73.142 tors. eta vs tors. theta energy: -11.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -988.410125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.410125 (E_RNA) where: Base-Base interactions energy: -484.950 where: short stacking energy: -297.374 Base-Backbone interact. energy: -2.861 local terms energy: -500.598998 where: bonds (distance) C4'-P energy: -145.354 bonds (distance) P-C4' energy: -121.335 flat angles C4'-P-C4' energy: -125.426 flat angles P-C4'-P energy: -78.252 tors. eta vs tors. theta energy: -30.232 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: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2718.202640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.202640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.202640 (E_RNA) where: Base-Base interactions energy: -1823.846 where: short stacking energy: -838.118 Base-Backbone interact. energy: -2.737 local terms energy: -891.619595 where: bonds (distance) C4'-P energy: -177.454 bonds (distance) P-C4' energy: -178.360 flat angles C4'-P-C4' energy: -201.181 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -223.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2594.015901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.015901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.015901 (E_RNA) where: Base-Base interactions energy: -1734.444 where: short stacking energy: -765.603 Base-Backbone interact. energy: -1.777 local terms energy: -857.794333 where: bonds (distance) C4'-P energy: -162.622 bonds (distance) P-C4' energy: -173.130 flat angles C4'-P-C4' energy: -195.614 flat angles P-C4'-P energy: -134.537 tors. eta vs tors. theta energy: -191.891 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: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2447.575552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.575552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.575552 (E_RNA) where: Base-Base interactions energy: -1585.458 where: short stacking energy: -765.371 Base-Backbone interact. energy: -0.631 local terms energy: -861.486053 where: bonds (distance) C4'-P energy: -160.530 bonds (distance) P-C4' energy: -177.293 flat angles C4'-P-C4' energy: -189.618 flat angles P-C4'-P energy: -130.170 tors. eta vs tors. theta energy: -203.875 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2203.120943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.120943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.120943 (E_RNA) where: Base-Base interactions energy: -1425.127 where: short stacking energy: -667.376 Base-Backbone interact. energy: -0.164 local terms energy: -777.829345 where: bonds (distance) C4'-P energy: -171.786 bonds (distance) P-C4' energy: -152.529 flat angles C4'-P-C4' energy: -177.555 flat angles P-C4'-P energy: -108.086 tors. eta vs tors. theta energy: -167.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2003.984373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.984373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.984373 (E_RNA) where: Base-Base interactions energy: -1283.534 where: short stacking energy: -611.038 Base-Backbone interact. energy: -1.768 local terms energy: -718.681864 where: bonds (distance) C4'-P energy: -137.778 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -173.300 flat angles P-C4'-P energy: -106.561 tors. eta vs tors. theta energy: -140.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1797.066358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.066358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.066358 (E_RNA) where: Base-Base interactions energy: -1111.096 where: short stacking energy: -517.441 Base-Backbone interact. energy: 0.838 local terms energy: -686.808314 where: bonds (distance) C4'-P energy: -149.259 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -164.337 flat angles P-C4'-P energy: -113.629 tors. eta vs tors. theta energy: -102.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1539.277489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.277489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.277489 (E_RNA) where: Base-Base interactions energy: -912.864 where: short stacking energy: -468.312 Base-Backbone interact. energy: 1.084 local terms energy: -627.497503 where: bonds (distance) C4'-P energy: -143.585 bonds (distance) P-C4' energy: -170.506 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -89.928 tors. eta vs tors. theta energy: -75.618 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: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1349.016788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.016788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.016788 (E_RNA) where: Base-Base interactions energy: -753.348 where: short stacking energy: -417.744 Base-Backbone interact. energy: -2.319 local terms energy: -593.349542 where: bonds (distance) C4'-P energy: -140.433 bonds (distance) P-C4' energy: -168.564 flat angles C4'-P-C4' energy: -133.117 flat angles P-C4'-P energy: -77.158 tors. eta vs tors. theta energy: -74.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1060.942505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.942505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.942505 (E_RNA) where: Base-Base interactions energy: -553.620 where: short stacking energy: -306.523 Base-Backbone interact. energy: 4.171 local terms energy: -511.493312 where: bonds (distance) C4'-P energy: -134.999 bonds (distance) P-C4' energy: -136.678 flat angles C4'-P-C4' energy: -137.624 flat angles P-C4'-P energy: -89.833 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -831.249947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.249947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.249947 (E_RNA) where: Base-Base interactions energy: -372.735 where: short stacking energy: -232.962 Base-Backbone interact. energy: -2.789 local terms energy: -455.725184 where: bonds (distance) C4'-P energy: -139.955 bonds (distance) P-C4' energy: -162.668 flat angles C4'-P-C4' energy: -108.500 flat angles P-C4'-P energy: -74.858 tors. eta vs tors. theta energy: 30.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2710.266632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.266632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.266632 (E_RNA) where: Base-Base interactions energy: -1779.046 where: short stacking energy: -821.182 Base-Backbone interact. energy: -7.478 local terms energy: -923.742131 where: bonds (distance) C4'-P energy: -171.658 bonds (distance) P-C4' energy: -199.430 flat angles C4'-P-C4' energy: -191.399 flat angles P-C4'-P energy: -130.129 tors. eta vs tors. theta energy: -231.125 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: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2585.363782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.363782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.363782 (E_RNA) where: Base-Base interactions energy: -1706.202 where: short stacking energy: -802.098 Base-Backbone interact. energy: -1.647 local terms energy: -877.515004 where: bonds (distance) C4'-P energy: -175.383 bonds (distance) P-C4' energy: -186.925 flat angles C4'-P-C4' energy: -191.906 flat angles P-C4'-P energy: -108.945 tors. eta vs tors. theta energy: -214.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2458.495259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.495259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.495259 (E_RNA) where: Base-Base interactions energy: -1618.601 where: short stacking energy: -766.450 Base-Backbone interact. energy: -3.595 local terms energy: -836.299496 where: bonds (distance) C4'-P energy: -155.843 bonds (distance) P-C4' energy: -185.777 flat angles C4'-P-C4' energy: -178.780 flat angles P-C4'-P energy: -119.961 tors. eta vs tors. theta energy: -195.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2159.565400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.565400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.565400 (E_RNA) where: Base-Base interactions energy: -1384.288 where: short stacking energy: -673.465 Base-Backbone interact. energy: -2.751 local terms energy: -772.525485 where: bonds (distance) C4'-P energy: -160.365 bonds (distance) P-C4' energy: -162.388 flat angles C4'-P-C4' energy: -172.607 flat angles P-C4'-P energy: -114.825 tors. eta vs tors. theta energy: -162.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2001.918696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.918696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.918696 (E_RNA) where: Base-Base interactions energy: -1244.164 where: short stacking energy: -612.538 Base-Backbone interact. energy: -0.407 local terms energy: -757.347733 where: bonds (distance) C4'-P energy: -161.020 bonds (distance) P-C4' energy: -176.041 flat angles C4'-P-C4' energy: -182.145 flat angles P-C4'-P energy: -103.886 tors. eta vs tors. theta energy: -134.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1799.837974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.837974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.837974 (E_RNA) where: Base-Base interactions energy: -1122.728 where: short stacking energy: -530.359 Base-Backbone interact. energy: 4.136 local terms energy: -681.246064 where: bonds (distance) C4'-P energy: -148.694 bonds (distance) P-C4' energy: -163.582 flat angles C4'-P-C4' energy: -165.729 flat angles P-C4'-P energy: -94.256 tors. eta vs tors. theta energy: -108.985 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: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1545.584065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.584065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.584065 (E_RNA) where: Base-Base interactions energy: -913.519 where: short stacking energy: -435.969 Base-Backbone interact. energy: 7.084 local terms energy: -639.148793 where: bonds (distance) C4'-P energy: -147.500 bonds (distance) P-C4' energy: -168.654 flat angles C4'-P-C4' energy: -158.222 flat angles P-C4'-P energy: -106.415 tors. eta vs tors. theta energy: -58.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1379.216056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.216056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.216056 (E_RNA) where: Base-Base interactions energy: -775.260 where: short stacking energy: -433.527 Base-Backbone interact. energy: 9.054 local terms energy: -613.010443 where: bonds (distance) C4'-P energy: -162.288 bonds (distance) P-C4' energy: -156.719 flat angles C4'-P-C4' energy: -144.156 flat angles P-C4'-P energy: -66.417 tors. eta vs tors. theta energy: -83.431 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1086.514337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.514337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.514337 (E_RNA) where: Base-Base interactions energy: -594.331 where: short stacking energy: -311.008 Base-Backbone interact. energy: -2.497 local terms energy: -489.686314 where: bonds (distance) C4'-P energy: -144.203 bonds (distance) P-C4' energy: -136.596 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: 4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -922.015605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.015605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.015605 (E_RNA) where: Base-Base interactions energy: -465.042 where: short stacking energy: -274.552 Base-Backbone interact. energy: 3.394 local terms energy: -460.367141 where: bonds (distance) C4'-P energy: -146.166 bonds (distance) P-C4' energy: -146.199 flat angles C4'-P-C4' energy: -120.203 flat angles P-C4'-P energy: -68.709 tors. eta vs tors. theta energy: 20.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2700.300004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.300004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.300004 (E_RNA) where: Base-Base interactions energy: -1806.737 where: short stacking energy: -824.501 Base-Backbone interact. energy: -4.995 local terms energy: -888.567336 where: bonds (distance) C4'-P energy: -181.028 bonds (distance) P-C4' energy: -178.152 flat angles C4'-P-C4' energy: -196.550 flat angles P-C4'-P energy: -123.606 tors. eta vs tors. theta energy: -209.232 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: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2597.594267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.594267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.594267 (E_RNA) where: Base-Base interactions energy: -1732.498 where: short stacking energy: -772.979 Base-Backbone interact. energy: 1.029 local terms energy: -866.125165 where: bonds (distance) C4'-P energy: -163.440 bonds (distance) P-C4' energy: -176.028 flat angles C4'-P-C4' energy: -194.129 flat angles P-C4'-P energy: -127.305 tors. eta vs tors. theta energy: -205.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2512.044811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.044811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.044811 (E_RNA) where: Base-Base interactions energy: -1707.466 where: short stacking energy: -775.574 Base-Backbone interact. energy: -0.309 local terms energy: -804.270294 where: bonds (distance) C4'-P energy: -141.935 bonds (distance) P-C4' energy: -161.803 flat angles C4'-P-C4' energy: -184.801 flat angles P-C4'-P energy: -117.247 tors. eta vs tors. theta energy: -198.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2110.290921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.290921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.290921 (E_RNA) where: Base-Base interactions energy: -1330.729 where: short stacking energy: -651.001 Base-Backbone interact. energy: -3.910 local terms energy: -775.651892 where: bonds (distance) C4'-P energy: -171.831 bonds (distance) P-C4' energy: -175.810 flat angles C4'-P-C4' energy: -169.558 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -160.214 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: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2008.655504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.655504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.655504 (E_RNA) where: Base-Base interactions energy: -1286.947 where: short stacking energy: -588.824 Base-Backbone interact. energy: -0.385 local terms energy: -721.322875 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -157.296 flat angles C4'-P-C4' energy: -174.001 flat angles P-C4'-P energy: -114.471 tors. eta vs tors. theta energy: -143.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1732.417617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.417617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.417617 (E_RNA) where: Base-Base interactions energy: -1049.879 where: short stacking energy: -550.202 Base-Backbone interact. energy: 0.127 local terms energy: -682.666011 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -166.464 flat angles C4'-P-C4' energy: -159.210 flat angles P-C4'-P energy: -94.647 tors. eta vs tors. theta energy: -125.361 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: 48 Temperature: 1.200000 Total energy: -1579.876513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.876513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.876513 (E_RNA) where: Base-Base interactions energy: -940.166 where: short stacking energy: -477.723 Base-Backbone interact. energy: 5.988 local terms energy: -645.698324 where: bonds (distance) C4'-P energy: -149.905 bonds (distance) P-C4' energy: -180.343 flat angles C4'-P-C4' energy: -140.639 flat angles P-C4'-P energy: -100.432 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: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1297.097738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.097738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.097738 (E_RNA) where: Base-Base interactions energy: -738.642 where: short stacking energy: -390.433 Base-Backbone interact. energy: 5.000 local terms energy: -563.456512 where: bonds (distance) C4'-P energy: -129.263 bonds (distance) P-C4' energy: -142.569 flat angles C4'-P-C4' energy: -150.401 flat angles P-C4'-P energy: -96.130 tors. eta vs tors. theta energy: -45.094 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1115.582747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.582747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.582747 (E_RNA) where: Base-Base interactions energy: -613.273 where: short stacking energy: -339.863 Base-Backbone interact. energy: -0.786 local terms energy: -501.524122 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -150.725 flat angles C4'-P-C4' energy: -140.580 flat angles P-C4'-P energy: -63.556 tors. eta vs tors. theta energy: -13.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -900.038521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.038521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.038521 (E_RNA) where: Base-Base interactions energy: -436.010 where: short stacking energy: -266.503 Base-Backbone interact. energy: 1.969 local terms energy: -465.998192 where: bonds (distance) C4'-P energy: -134.243 bonds (distance) P-C4' energy: -166.223 flat angles C4'-P-C4' energy: -113.362 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: 3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2705.449822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.449822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.449822 (E_RNA) where: Base-Base interactions energy: -1798.932 where: short stacking energy: -835.471 Base-Backbone interact. energy: -4.903 local terms energy: -901.614574 where: bonds (distance) C4'-P energy: -181.640 bonds (distance) P-C4' energy: -184.206 flat angles C4'-P-C4' energy: -192.175 flat angles P-C4'-P energy: -135.980 tors. eta vs tors. theta energy: -207.614 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: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2632.482682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.482682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.482682 (E_RNA) where: Base-Base interactions energy: -1772.251 where: short stacking energy: -810.130 Base-Backbone interact. energy: -1.151 local terms energy: -859.081149 where: bonds (distance) C4'-P energy: -166.506 bonds (distance) P-C4' energy: -181.221 flat angles C4'-P-C4' energy: -181.224 flat angles P-C4'-P energy: -126.519 tors. eta vs tors. theta energy: -203.611 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: 49 Temperature: 1.000000 Total energy: -2490.987666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.987666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.987666 (E_RNA) where: Base-Base interactions energy: -1654.267 where: short stacking energy: -778.109 Base-Backbone interact. energy: -1.869 local terms energy: -834.852039 where: bonds (distance) C4'-P energy: -170.912 bonds (distance) P-C4' energy: -165.841 flat angles C4'-P-C4' energy: -184.671 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -199.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2109.248383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.248383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.248383 (E_RNA) where: Base-Base interactions energy: -1384.483 where: short stacking energy: -639.853 Base-Backbone interact. energy: -3.756 local terms energy: -721.009976 where: bonds (distance) C4'-P energy: -167.481 bonds (distance) P-C4' energy: -159.340 flat angles C4'-P-C4' energy: -152.544 flat angles P-C4'-P energy: -89.115 tors. eta vs tors. theta energy: -152.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1994.962196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.962196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.962196 (E_RNA) where: Base-Base interactions energy: -1237.151 where: short stacking energy: -561.818 Base-Backbone interact. energy: 1.522 local terms energy: -759.333964 where: bonds (distance) C4'-P energy: -177.034 bonds (distance) P-C4' energy: -171.593 flat angles C4'-P-C4' energy: -171.927 flat angles P-C4'-P energy: -118.039 tors. eta vs tors. theta energy: -120.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1725.909215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.909215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.909215 (E_RNA) where: Base-Base interactions energy: -1048.619 where: short stacking energy: -536.586 Base-Backbone interact. energy: 0.059 local terms energy: -677.348901 where: bonds (distance) C4'-P energy: -168.574 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -150.605 flat angles P-C4'-P energy: -91.868 tors. eta vs tors. theta energy: -108.314 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: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1497.785612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.785612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.785612 (E_RNA) where: Base-Base interactions energy: -898.664 where: short stacking energy: -426.857 Base-Backbone interact. energy: 3.107 local terms energy: -602.227645 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -160.741 flat angles C4'-P-C4' energy: -142.996 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -46.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1318.789316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.789316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.789316 (E_RNA) where: Base-Base interactions energy: -757.134 where: short stacking energy: -379.632 Base-Backbone interact. energy: 2.244 local terms energy: -563.900050 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -127.119 flat angles P-C4'-P energy: -71.917 tors. eta vs tors. theta energy: -59.055 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1091.224994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.224994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.224994 (E_RNA) where: Base-Base interactions energy: -600.864 where: short stacking energy: -327.876 Base-Backbone interact. energy: 2.866 local terms energy: -493.226634 where: bonds (distance) C4'-P energy: -138.786 bonds (distance) P-C4' energy: -148.593 flat angles C4'-P-C4' energy: -125.207 flat angles P-C4'-P energy: -74.680 tors. eta vs tors. theta energy: -5.961 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: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -864.728318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.728318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.728318 (E_RNA) where: Base-Base interactions energy: -393.780 where: short stacking energy: -246.938 Base-Backbone interact. energy: -0.159 local terms energy: -470.788820 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -134.654 flat angles C4'-P-C4' energy: -115.560 flat angles P-C4'-P energy: -80.599 tors. eta vs tors. theta energy: -4.298 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: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2738.023323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.023323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.023323 (E_RNA) where: Base-Base interactions energy: -1849.811 where: short stacking energy: -847.561 Base-Backbone interact. energy: -3.096 local terms energy: -885.116908 where: bonds (distance) C4'-P energy: -160.132 bonds (distance) P-C4' energy: -171.469 flat angles C4'-P-C4' energy: -201.049 flat angles P-C4'-P energy: -138.676 tors. eta vs tors. theta energy: -213.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2603.240561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.240561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.240561 (E_RNA) where: Base-Base interactions energy: -1753.530 where: short stacking energy: -766.025 Base-Backbone interact. energy: -3.967 local terms energy: -845.743235 where: bonds (distance) C4'-P energy: -176.114 bonds (distance) P-C4' energy: -154.065 flat angles C4'-P-C4' energy: -190.779 flat angles P-C4'-P energy: -130.270 tors. eta vs tors. theta energy: -194.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2481.562485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.562485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.562485 (E_RNA) where: Base-Base interactions energy: -1641.767 where: short stacking energy: -752.668 Base-Backbone interact. energy: 1.830 local terms energy: -841.624894 where: bonds (distance) C4'-P energy: -169.556 bonds (distance) P-C4' energy: -163.207 flat angles C4'-P-C4' energy: -184.097 flat angles P-C4'-P energy: -130.946 tors. eta vs tors. theta energy: -193.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2086.522998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.522998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.522998 (E_RNA) where: Base-Base interactions energy: -1338.489 where: short stacking energy: -634.500 Base-Backbone interact. energy: -1.210 local terms energy: -746.823529 where: bonds (distance) C4'-P energy: -159.122 bonds (distance) P-C4' energy: -168.172 flat angles C4'-P-C4' energy: -177.292 flat angles P-C4'-P energy: -108.970 tors. eta vs tors. theta energy: -133.267 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: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1926.463928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.463928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.463928 (E_RNA) where: Base-Base interactions energy: -1196.024 where: short stacking energy: -567.205 Base-Backbone interact. energy: -2.870 local terms energy: -727.570481 where: bonds (distance) C4'-P energy: -164.500 bonds (distance) P-C4' energy: -167.352 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -115.024 tors. eta vs tors. theta energy: -111.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1694.166266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.166266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.166266 (E_RNA) where: Base-Base interactions energy: -1043.632 where: short stacking energy: -496.917 Base-Backbone interact. energy: -2.982 local terms energy: -647.552445 where: bonds (distance) C4'-P energy: -160.368 bonds (distance) P-C4' energy: -159.214 flat angles C4'-P-C4' energy: -149.216 flat angles P-C4'-P energy: -104.692 tors. eta vs tors. theta energy: -74.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1456.092041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.092041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.092041 (E_RNA) where: Base-Base interactions energy: -874.493 where: short stacking energy: -420.272 Base-Backbone interact. energy: 2.200 local terms energy: -583.799602 where: bonds (distance) C4'-P energy: -141.443 bonds (distance) P-C4' energy: -168.948 flat angles C4'-P-C4' energy: -141.350 flat angles P-C4'-P energy: -97.595 tors. eta vs tors. theta energy: -34.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1348.677313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.677313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.677313 (E_RNA) where: Base-Base interactions energy: -740.077 where: short stacking energy: -349.630 Base-Backbone interact. energy: -0.500 local terms energy: -608.100510 where: bonds (distance) C4'-P energy: -162.243 bonds (distance) P-C4' energy: -157.349 flat angles C4'-P-C4' energy: -163.356 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -50.695 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: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1147.063299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.063299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.063299 (E_RNA) where: Base-Base interactions energy: -623.153 where: short stacking energy: -338.826 Base-Backbone interact. energy: -2.529 local terms energy: -521.381168 where: bonds (distance) C4'-P energy: -146.203 bonds (distance) P-C4' energy: -157.991 flat angles C4'-P-C4' energy: -137.540 flat angles P-C4'-P energy: -64.173 tors. eta vs tors. theta energy: -15.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -875.001667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.001667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.001667 (E_RNA) where: Base-Base interactions energy: -406.242 where: short stacking energy: -239.608 Base-Backbone interact. energy: 10.159 local terms energy: -478.918878 where: bonds (distance) C4'-P energy: -136.351 bonds (distance) P-C4' energy: -146.061 flat angles C4'-P-C4' energy: -118.028 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: 3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2735.464624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.464624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.464624 (E_RNA) where: Base-Base interactions energy: -1828.255 where: short stacking energy: -816.717 Base-Backbone interact. energy: -2.624 local terms energy: -904.585571 where: bonds (distance) C4'-P energy: -186.195 bonds (distance) P-C4' energy: -181.890 flat angles C4'-P-C4' energy: -186.516 flat angles P-C4'-P energy: -127.557 tors. eta vs tors. theta energy: -222.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2591.880599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.880599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.880599 (E_RNA) where: Base-Base interactions energy: -1748.700 where: short stacking energy: -759.815 Base-Backbone interact. energy: -1.259 local terms energy: -841.921337 where: bonds (distance) C4'-P energy: -168.639 bonds (distance) P-C4' energy: -172.155 flat angles C4'-P-C4' energy: -190.009 flat angles P-C4'-P energy: -124.495 tors. eta vs tors. theta energy: -186.624 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: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2520.317852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.317852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.317852 (E_RNA) where: Base-Base interactions energy: -1683.812 where: short stacking energy: -800.228 Base-Backbone interact. energy: 0.265 local terms energy: -836.770791 where: bonds (distance) C4'-P energy: -167.472 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -188.475 flat angles P-C4'-P energy: -118.910 tors. eta vs tors. theta energy: -205.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2089.574824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.574824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.574824 (E_RNA) where: Base-Base interactions energy: -1334.376 where: short stacking energy: -643.659 Base-Backbone interact. energy: 2.222 local terms energy: -757.420376 where: bonds (distance) C4'-P energy: -166.616 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -162.785 flat angles P-C4'-P energy: -115.119 tors. eta vs tors. theta energy: -154.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1889.659505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.659505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.659505 (E_RNA) where: Base-Base interactions energy: -1178.470 where: short stacking energy: -585.373 Base-Backbone interact. energy: 0.908 local terms energy: -712.096880 where: bonds (distance) C4'-P energy: -144.925 bonds (distance) P-C4' energy: -166.714 flat angles C4'-P-C4' energy: -154.580 flat angles P-C4'-P energy: -119.119 tors. eta vs tors. theta energy: -126.758 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: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1739.974694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.974694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.974694 (E_RNA) where: Base-Base interactions energy: -1062.203 where: short stacking energy: -530.466 Base-Backbone interact. energy: -2.007 local terms energy: -675.764740 where: bonds (distance) C4'-P energy: -168.845 bonds (distance) P-C4' energy: -170.493 flat angles C4'-P-C4' energy: -140.602 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -92.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1442.419745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.419745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.419745 (E_RNA) where: Base-Base interactions energy: -845.429 where: short stacking energy: -406.724 Base-Backbone interact. energy: -2.853 local terms energy: -594.137976 where: bonds (distance) C4'-P energy: -132.357 bonds (distance) P-C4' energy: -169.266 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -85.626 tors. eta vs tors. theta energy: -56.228 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: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1408.097084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.097084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.097084 (E_RNA) where: Base-Base interactions energy: -827.980 where: short stacking energy: -419.267 Base-Backbone interact. energy: 0.729 local terms energy: -580.845724 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -162.323 flat angles C4'-P-C4' energy: -138.989 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -66.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1128.327627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.327627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.327627 (E_RNA) where: Base-Base interactions energy: -650.945 where: short stacking energy: -328.441 Base-Backbone interact. energy: 8.609 local terms energy: -485.991699 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -127.746 flat angles C4'-P-C4' energy: -138.078 flat angles P-C4'-P energy: -60.750 tors. eta vs tors. theta energy: -11.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -949.436464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.436464 (E_RNA) where: Base-Base interactions energy: -474.246 where: short stacking energy: -257.104 Base-Backbone interact. energy: 1.086 local terms energy: -476.275658 where: bonds (distance) C4'-P energy: -133.233 bonds (distance) P-C4' energy: -152.974 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -0.169 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: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2692.783748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.783748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.783748 (E_RNA) where: Base-Base interactions energy: -1807.654 where: short stacking energy: -853.609 Base-Backbone interact. energy: 4.596 local terms energy: -889.725396 where: bonds (distance) C4'-P energy: -185.680 bonds (distance) P-C4' energy: -175.011 flat angles C4'-P-C4' energy: -189.657 flat angles P-C4'-P energy: -109.309 tors. eta vs tors. theta energy: -230.069 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: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2571.853289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.853289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.853289 (E_RNA) where: Base-Base interactions energy: -1736.812 where: short stacking energy: -769.125 Base-Backbone interact. energy: -4.650 local terms energy: -830.391179 where: bonds (distance) C4'-P energy: -166.322 bonds (distance) P-C4' energy: -172.451 flat angles C4'-P-C4' energy: -188.219 flat angles P-C4'-P energy: -116.352 tors. eta vs tors. theta energy: -187.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2505.664246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.664246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.664246 (E_RNA) where: Base-Base interactions energy: -1654.915 where: short stacking energy: -756.479 Base-Backbone interact. energy: -1.521 local terms energy: -849.228799 where: bonds (distance) C4'-P energy: -151.154 bonds (distance) P-C4' energy: -182.494 flat angles C4'-P-C4' energy: -182.405 flat angles P-C4'-P energy: -135.237 tors. eta vs tors. theta energy: -197.940 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: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2096.938582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.938582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.938582 (E_RNA) where: Base-Base interactions energy: -1329.694 where: short stacking energy: -635.403 Base-Backbone interact. energy: 0.421 local terms energy: -767.665536 where: bonds (distance) C4'-P energy: -148.897 bonds (distance) P-C4' energy: -182.871 flat angles C4'-P-C4' energy: -182.047 flat angles P-C4'-P energy: -121.877 tors. eta vs tors. theta energy: -131.974 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: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1876.022707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.022707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.022707 (E_RNA) where: Base-Base interactions energy: -1168.711 where: short stacking energy: -559.846 Base-Backbone interact. energy: -1.254 local terms energy: -706.057227 where: bonds (distance) C4'-P energy: -149.379 bonds (distance) P-C4' energy: -167.363 flat angles C4'-P-C4' energy: -170.971 flat angles P-C4'-P energy: -101.641 tors. eta vs tors. theta energy: -116.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1748.165944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.165944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.165944 (E_RNA) where: Base-Base interactions energy: -1075.136 where: short stacking energy: -538.971 Base-Backbone interact. energy: -7.285 local terms energy: -665.744825 where: bonds (distance) C4'-P energy: -154.647 bonds (distance) P-C4' energy: -159.663 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -96.046 tors. eta vs tors. theta energy: -116.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1616.180636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.180636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.180636 (E_RNA) where: Base-Base interactions energy: -996.183 where: short stacking energy: -456.450 Base-Backbone interact. energy: -2.879 local terms energy: -617.118242 where: bonds (distance) C4'-P energy: -139.342 bonds (distance) P-C4' energy: -176.752 flat angles C4'-P-C4' energy: -143.814 flat angles P-C4'-P energy: -88.366 tors. eta vs tors. theta energy: -68.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1352.162511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.162511 (E_RNA) where: Base-Base interactions energy: -772.073 where: short stacking energy: -402.869 Base-Backbone interact. energy: -0.827 local terms energy: -579.262505 where: bonds (distance) C4'-P energy: -159.461 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -154.113 flat angles P-C4'-P energy: -94.731 tors. eta vs tors. theta energy: -38.695 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: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1156.340670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.340670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.340670 (E_RNA) where: Base-Base interactions energy: -628.127 where: short stacking energy: -334.852 Base-Backbone interact. energy: -1.524 local terms energy: -526.688888 where: bonds (distance) C4'-P energy: -143.162 bonds (distance) P-C4' energy: -160.530 flat angles C4'-P-C4' energy: -146.633 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -10.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -941.869696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.869696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.869696 (E_RNA) where: Base-Base interactions energy: -484.002 where: short stacking energy: -259.699 Base-Backbone interact. energy: -0.878 local terms energy: -456.989559 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -127.337 flat angles C4'-P-C4' energy: -110.223 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: 2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2690.886251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.886251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.886251 (E_RNA) where: Base-Base interactions energy: -1786.450 where: short stacking energy: -823.253 Base-Backbone interact. energy: -3.704 local terms energy: -900.731366 where: bonds (distance) C4'-P energy: -170.806 bonds (distance) P-C4' energy: -193.041 flat angles C4'-P-C4' energy: -195.394 flat angles P-C4'-P energy: -132.704 tors. eta vs tors. theta energy: -208.787 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: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2594.825716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.825716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.825716 (E_RNA) where: Base-Base interactions energy: -1743.269 where: short stacking energy: -778.735 Base-Backbone interact. energy: 1.634 local terms energy: -853.191226 where: bonds (distance) C4'-P energy: -163.099 bonds (distance) P-C4' energy: -189.417 flat angles C4'-P-C4' energy: -177.587 flat angles P-C4'-P energy: -125.573 tors. eta vs tors. theta energy: -197.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2559.019709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.019709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.019709 (E_RNA) where: Base-Base interactions energy: -1686.234 where: short stacking energy: -759.751 Base-Backbone interact. energy: -2.708 local terms energy: -870.078189 where: bonds (distance) C4'-P energy: -179.829 bonds (distance) P-C4' energy: -170.543 flat angles C4'-P-C4' energy: -186.029 flat angles P-C4'-P energy: -129.891 tors. eta vs tors. theta energy: -203.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2104.154285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.154285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.154285 (E_RNA) where: Base-Base interactions energy: -1341.913 where: short stacking energy: -643.122 Base-Backbone interact. energy: 1.027 local terms energy: -763.269186 where: bonds (distance) C4'-P energy: -169.227 bonds (distance) P-C4' energy: -152.533 flat angles C4'-P-C4' energy: -185.691 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -148.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1989.157404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.157404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.157404 (E_RNA) where: Base-Base interactions energy: -1270.358 where: short stacking energy: -581.788 Base-Backbone interact. energy: -1.862 local terms energy: -716.937506 where: bonds (distance) C4'-P energy: -155.904 bonds (distance) P-C4' energy: -175.787 flat angles C4'-P-C4' energy: -150.505 flat angles P-C4'-P energy: -98.269 tors. eta vs tors. theta energy: -136.472 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: 53 Temperature: 1.150000 Total energy: -1723.665683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.665683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.665683 (E_RNA) where: Base-Base interactions energy: -1048.992 where: short stacking energy: -524.352 Base-Backbone interact. energy: -1.964 local terms energy: -672.710355 where: bonds (distance) C4'-P energy: -157.425 bonds (distance) P-C4' energy: -171.253 flat angles C4'-P-C4' energy: -144.187 flat angles P-C4'-P energy: -101.580 tors. eta vs tors. theta energy: -98.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1661.709984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.709984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.709984 (E_RNA) where: Base-Base interactions energy: -993.231 where: short stacking energy: -481.916 Base-Backbone interact. energy: -0.686 local terms energy: -667.793108 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -147.310 flat angles C4'-P-C4' energy: -175.012 flat angles P-C4'-P energy: -93.653 tors. eta vs tors. theta energy: -96.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1346.454583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.454583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.454583 (E_RNA) where: Base-Base interactions energy: -814.140 where: short stacking energy: -389.376 Base-Backbone interact. energy: 2.309 local terms energy: -534.623477 where: bonds (distance) C4'-P energy: -153.827 bonds (distance) P-C4' energy: -148.636 flat angles C4'-P-C4' energy: -125.655 flat angles P-C4'-P energy: -62.739 tors. eta vs tors. theta energy: -43.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1216.175180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.175180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.175180 (E_RNA) where: Base-Base interactions energy: -665.311 where: short stacking energy: -341.462 Base-Backbone interact. energy: -2.500 local terms energy: -548.364794 where: bonds (distance) C4'-P energy: -137.821 bonds (distance) P-C4' energy: -146.470 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -28.964 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: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -872.148837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.148837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.148837 (E_RNA) where: Base-Base interactions energy: -418.859 where: short stacking energy: -230.139 Base-Backbone interact. energy: 7.828 local terms energy: -461.118249 where: bonds (distance) C4'-P energy: -130.480 bonds (distance) P-C4' energy: -139.002 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: 6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2748.237152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.237152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.237152 (E_RNA) where: Base-Base interactions energy: -1853.565 where: short stacking energy: -852.727 Base-Backbone interact. energy: -1.951 local terms energy: -892.721096 where: bonds (distance) C4'-P energy: -185.454 bonds (distance) P-C4' energy: -168.198 flat angles C4'-P-C4' energy: -204.915 flat angles P-C4'-P energy: -115.596 tors. eta vs tors. theta energy: -218.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2565.545646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.545646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.545646 (E_RNA) where: Base-Base interactions energy: -1677.295 where: short stacking energy: -783.907 Base-Backbone interact. energy: -4.090 local terms energy: -884.161051 where: bonds (distance) C4'-P energy: -163.462 bonds (distance) P-C4' energy: -177.015 flat angles C4'-P-C4' energy: -198.791 flat angles P-C4'-P energy: -142.196 tors. eta vs tors. theta energy: -202.698 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: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2573.484536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.484536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.484536 (E_RNA) where: Base-Base interactions energy: -1689.977 where: short stacking energy: -757.228 Base-Backbone interact. energy: -3.714 local terms energy: -879.793907 where: bonds (distance) C4'-P energy: -174.665 bonds (distance) P-C4' energy: -167.925 flat angles C4'-P-C4' energy: -200.477 flat angles P-C4'-P energy: -128.999 tors. eta vs tors. theta energy: -207.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2149.924203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.924203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.924203 (E_RNA) where: Base-Base interactions energy: -1375.330 where: short stacking energy: -692.094 Base-Backbone interact. energy: -0.705 local terms energy: -773.889715 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -175.028 flat angles C4'-P-C4' energy: -180.866 flat angles P-C4'-P energy: -102.002 tors. eta vs tors. theta energy: -159.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2005.663296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.663296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.663296 (E_RNA) where: Base-Base interactions energy: -1249.023 where: short stacking energy: -597.753 Base-Backbone interact. energy: -1.515 local terms energy: -755.124966 where: bonds (distance) C4'-P energy: -152.506 bonds (distance) P-C4' energy: -167.713 flat angles C4'-P-C4' energy: -179.214 flat angles P-C4'-P energy: -114.626 tors. eta vs tors. theta energy: -141.066 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: 54 Temperature: 1.150000 Total energy: -1733.699924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.699924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.699924 (E_RNA) where: Base-Base interactions energy: -1056.589 where: short stacking energy: -483.684 Base-Backbone interact. energy: -4.166 local terms energy: -672.945303 where: bonds (distance) C4'-P energy: -162.269 bonds (distance) P-C4' energy: -164.810 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -102.072 tors. eta vs tors. theta energy: -82.504 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: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1609.030078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.030078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.030078 (E_RNA) where: Base-Base interactions energy: -1018.326 where: short stacking energy: -470.281 Base-Backbone interact. energy: -1.925 local terms energy: -588.778316 where: bonds (distance) C4'-P energy: -134.306 bonds (distance) P-C4' energy: -144.909 flat angles C4'-P-C4' energy: -153.691 flat angles P-C4'-P energy: -86.410 tors. eta vs tors. theta energy: -69.462 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: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1325.490760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.490760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.490760 (E_RNA) where: Base-Base interactions energy: -750.444 where: short stacking energy: -385.597 Base-Backbone interact. energy: 4.952 local terms energy: -579.998340 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -161.684 flat angles C4'-P-C4' energy: -155.184 flat angles P-C4'-P energy: -80.821 tors. eta vs tors. theta energy: -44.513 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: 54 Temperature: 1.300000 Total energy: -1120.711305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.711305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.711305 (E_RNA) where: Base-Base interactions energy: -619.669 where: short stacking energy: -330.611 Base-Backbone interact. energy: -0.501 local terms energy: -500.541197 where: bonds (distance) C4'-P energy: -152.630 bonds (distance) P-C4' energy: -132.763 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -24.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -813.246897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.246897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.246897 (E_RNA) where: Base-Base interactions energy: -377.869 where: short stacking energy: -258.785 Base-Backbone interact. energy: -0.926 local terms energy: -434.452423 where: bonds (distance) C4'-P energy: -139.866 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -71.401 tors. eta vs tors. theta energy: 20.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2698.218950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.218950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.218950 (E_RNA) where: Base-Base interactions energy: -1819.053 where: short stacking energy: -844.795 Base-Backbone interact. energy: 0.537 local terms energy: -879.703138 where: bonds (distance) C4'-P energy: -159.872 bonds (distance) P-C4' energy: -189.774 flat angles C4'-P-C4' energy: -199.016 flat angles P-C4'-P energy: -117.638 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: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2580.849630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.849630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.849630 (E_RNA) where: Base-Base interactions energy: -1666.220 where: short stacking energy: -801.950 Base-Backbone interact. energy: -4.038 local terms energy: -910.591380 where: bonds (distance) C4'-P energy: -176.286 bonds (distance) P-C4' energy: -181.026 flat angles C4'-P-C4' energy: -216.389 flat angles P-C4'-P energy: -117.299 tors. eta vs tors. theta energy: -219.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2578.444937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.444937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.444937 (E_RNA) where: Base-Base interactions energy: -1687.631 where: short stacking energy: -805.889 Base-Backbone interact. energy: -1.045 local terms energy: -889.768557 where: bonds (distance) C4'-P energy: -175.763 bonds (distance) P-C4' energy: -180.706 flat angles C4'-P-C4' energy: -185.643 flat angles P-C4'-P energy: -135.897 tors. eta vs tors. theta energy: -211.760 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: 55 Temperature: 1.050000 Total energy: -2210.215613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.215613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.215613 (E_RNA) where: Base-Base interactions energy: -1442.482 where: short stacking energy: -685.369 Base-Backbone interact. energy: 1.641 local terms energy: -769.374599 where: bonds (distance) C4'-P energy: -160.620 bonds (distance) P-C4' energy: -170.242 flat angles C4'-P-C4' energy: -166.853 flat angles P-C4'-P energy: -97.282 tors. eta vs tors. theta energy: -174.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1987.393379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.393379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.393379 (E_RNA) where: Base-Base interactions energy: -1255.415 where: short stacking energy: -578.680 Base-Backbone interact. energy: -3.396 local terms energy: -728.582339 where: bonds (distance) C4'-P energy: -171.263 bonds (distance) P-C4' energy: -163.521 flat angles C4'-P-C4' energy: -168.983 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -121.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1718.689528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.689528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.689528 (E_RNA) where: Base-Base interactions energy: -1062.532 where: short stacking energy: -490.736 Base-Backbone interact. energy: -4.907 local terms energy: -651.249843 where: bonds (distance) C4'-P energy: -155.546 bonds (distance) P-C4' energy: -163.259 flat angles C4'-P-C4' energy: -157.436 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -84.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1579.061525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.061525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.061525 (E_RNA) where: Base-Base interactions energy: -964.381 where: short stacking energy: -458.978 Base-Backbone interact. energy: -2.288 local terms energy: -612.392045 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -153.665 flat angles C4'-P-C4' energy: -169.613 flat angles P-C4'-P energy: -91.579 tors. eta vs tors. theta energy: -70.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1350.112111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.112111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.112111 (E_RNA) where: Base-Base interactions energy: -788.744 where: short stacking energy: -413.832 Base-Backbone interact. energy: 0.882 local terms energy: -562.249437 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -164.353 flat angles C4'-P-C4' energy: -159.777 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -64.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1116.687431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.687431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.687431 (E_RNA) where: Base-Base interactions energy: -587.121 where: short stacking energy: -309.620 Base-Backbone interact. energy: -0.173 local terms energy: -529.392965 where: bonds (distance) C4'-P energy: -157.914 bonds (distance) P-C4' energy: -138.094 flat angles C4'-P-C4' energy: -129.360 flat angles P-C4'-P energy: -84.364 tors. eta vs tors. theta energy: -19.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -853.754461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.754461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.754461 (E_RNA) where: Base-Base interactions energy: -365.308 where: short stacking energy: -256.047 Base-Backbone interact. energy: 5.524 local terms energy: -493.969629 where: bonds (distance) C4'-P energy: -157.959 bonds (distance) P-C4' energy: -135.569 flat angles C4'-P-C4' energy: -131.059 flat angles P-C4'-P energy: -61.490 tors. eta vs tors. theta energy: -7.893 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: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2692.156084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.156084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.156084 (E_RNA) where: Base-Base interactions energy: -1799.849 where: short stacking energy: -812.465 Base-Backbone interact. energy: -1.615 local terms energy: -890.692137 where: bonds (distance) C4'-P energy: -173.211 bonds (distance) P-C4' energy: -192.926 flat angles C4'-P-C4' energy: -184.108 flat angles P-C4'-P energy: -132.654 tors. eta vs tors. theta energy: -207.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2607.564340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.564340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.564340 (E_RNA) where: Base-Base interactions energy: -1742.663 where: short stacking energy: -797.271 Base-Backbone interact. energy: -4.812 local terms energy: -860.089058 where: bonds (distance) C4'-P energy: -177.799 bonds (distance) P-C4' energy: -165.289 flat angles C4'-P-C4' energy: -180.613 flat angles P-C4'-P energy: -128.161 tors. eta vs tors. theta energy: -208.227 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: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2578.123124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.123124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.123124 (E_RNA) where: Base-Base interactions energy: -1715.546 where: short stacking energy: -811.081 Base-Backbone interact. energy: -1.103 local terms energy: -861.473905 where: bonds (distance) C4'-P energy: -159.967 bonds (distance) P-C4' energy: -171.294 flat angles C4'-P-C4' energy: -183.044 flat angles P-C4'-P energy: -129.887 tors. eta vs tors. theta energy: -217.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2220.799726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.799726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.799726 (E_RNA) where: Base-Base interactions energy: -1418.573 where: short stacking energy: -650.584 Base-Backbone interact. energy: -3.101 local terms energy: -799.125573 where: bonds (distance) C4'-P energy: -173.600 bonds (distance) P-C4' energy: -173.760 flat angles C4'-P-C4' energy: -176.084 flat angles P-C4'-P energy: -113.639 tors. eta vs tors. theta energy: -162.043 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: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2042.308933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.308933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.308933 (E_RNA) where: Base-Base interactions energy: -1264.834 where: short stacking energy: -601.354 Base-Backbone interact. energy: -4.850 local terms energy: -772.624341 where: bonds (distance) C4'-P energy: -157.224 bonds (distance) P-C4' energy: -172.452 flat angles C4'-P-C4' energy: -170.075 flat angles P-C4'-P energy: -119.573 tors. eta vs tors. theta energy: -153.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1702.749641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.749641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.749641 (E_RNA) where: Base-Base interactions energy: -1035.088 where: short stacking energy: -535.212 Base-Backbone interact. energy: -0.731 local terms energy: -666.930640 where: bonds (distance) C4'-P energy: -167.786 bonds (distance) P-C4' energy: -141.250 flat angles C4'-P-C4' energy: -171.825 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -90.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1547.993834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.993834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.993834 (E_RNA) where: Base-Base interactions energy: -951.620 where: short stacking energy: -475.662 Base-Backbone interact. energy: -2.677 local terms energy: -593.697359 where: bonds (distance) C4'-P energy: -149.521 bonds (distance) P-C4' energy: -132.921 flat angles C4'-P-C4' energy: -162.502 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -67.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1386.932162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.932162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.932162 (E_RNA) where: Base-Base interactions energy: -847.505 where: short stacking energy: -420.871 Base-Backbone interact. energy: 10.292 local terms energy: -549.719574 where: bonds (distance) C4'-P energy: -147.059 bonds (distance) P-C4' energy: -162.692 flat angles C4'-P-C4' energy: -111.858 flat angles P-C4'-P energy: -76.224 tors. eta vs tors. theta energy: -51.887 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: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1115.411060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.411060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.411060 (E_RNA) where: Base-Base interactions energy: -584.112 where: short stacking energy: -294.838 Base-Backbone interact. energy: 1.044 local terms energy: -532.343043 where: bonds (distance) C4'-P energy: -153.385 bonds (distance) P-C4' energy: -175.306 flat angles C4'-P-C4' energy: -138.228 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: 8.613 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: 10, replica: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -892.427023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.427023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.427023 (E_RNA) where: Base-Base interactions energy: -385.034 where: short stacking energy: -253.921 Base-Backbone interact. energy: 4.030 local terms energy: -511.423483 where: bonds (distance) C4'-P energy: -136.210 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -131.794 flat angles P-C4'-P energy: -86.667 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2768.427880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.427880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.427880 (E_RNA) where: Base-Base interactions energy: -1870.524 where: short stacking energy: -828.176 Base-Backbone interact. energy: -2.439 local terms energy: -895.465293 where: bonds (distance) C4'-P energy: -167.933 bonds (distance) P-C4' energy: -180.830 flat angles C4'-P-C4' energy: -196.729 flat angles P-C4'-P energy: -141.814 tors. eta vs tors. theta energy: -208.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2637.545954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.545954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.545954 (E_RNA) where: Base-Base interactions energy: -1778.633 where: short stacking energy: -852.311 Base-Backbone interact. energy: -1.213 local terms energy: -857.699552 where: bonds (distance) C4'-P energy: -150.720 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -188.022 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -236.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2527.914031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.914031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.914031 (E_RNA) where: Base-Base interactions energy: -1685.231 where: short stacking energy: -762.541 Base-Backbone interact. energy: 2.126 local terms energy: -844.808475 where: bonds (distance) C4'-P energy: -160.410 bonds (distance) P-C4' energy: -173.844 flat angles C4'-P-C4' energy: -186.139 flat angles P-C4'-P energy: -106.008 tors. eta vs tors. theta energy: -218.408 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: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2173.646542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.646542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.646542 (E_RNA) where: Base-Base interactions energy: -1421.315 where: short stacking energy: -670.333 Base-Backbone interact. energy: 0.508 local terms energy: -752.838913 where: bonds (distance) C4'-P energy: -155.630 bonds (distance) P-C4' energy: -164.082 flat angles C4'-P-C4' energy: -149.402 flat angles P-C4'-P energy: -117.542 tors. eta vs tors. theta energy: -166.183 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: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2133.767874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.767874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.767874 (E_RNA) where: Base-Base interactions energy: -1352.908 where: short stacking energy: -632.224 Base-Backbone interact. energy: 0.543 local terms energy: -781.403423 where: bonds (distance) C4'-P energy: -149.989 bonds (distance) P-C4' energy: -178.028 flat angles C4'-P-C4' energy: -180.025 flat angles P-C4'-P energy: -105.235 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: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1762.348301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.348301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.348301 (E_RNA) where: Base-Base interactions energy: -1116.048 where: short stacking energy: -531.970 Base-Backbone interact. energy: -2.619 local terms energy: -643.681178 where: bonds (distance) C4'-P energy: -146.529 bonds (distance) P-C4' energy: -162.834 flat angles C4'-P-C4' energy: -155.550 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: -92.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1553.625704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.625704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.625704 (E_RNA) where: Base-Base interactions energy: -939.165 where: short stacking energy: -448.223 Base-Backbone interact. energy: 0.714 local terms energy: -615.174426 where: bonds (distance) C4'-P energy: -152.364 bonds (distance) P-C4' energy: -158.826 flat angles C4'-P-C4' energy: -156.699 flat angles P-C4'-P energy: -83.623 tors. eta vs tors. theta energy: -63.663 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: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1380.943277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.943277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.943277 (E_RNA) where: Base-Base interactions energy: -782.495 where: short stacking energy: -413.189 Base-Backbone interact. energy: -2.470 local terms energy: -595.978311 where: bonds (distance) C4'-P energy: -143.989 bonds (distance) P-C4' energy: -167.740 flat angles C4'-P-C4' energy: -137.217 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -58.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1145.175189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.175189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.175189 (E_RNA) where: Base-Base interactions energy: -608.655 where: short stacking energy: -344.124 Base-Backbone interact. energy: -0.744 local terms energy: -535.775512 where: bonds (distance) C4'-P energy: -141.164 bonds (distance) P-C4' energy: -177.335 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -9.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -880.256462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.256462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.256462 (E_RNA) where: Base-Base interactions energy: -425.146 where: short stacking energy: -263.077 Base-Backbone interact. energy: 5.365 local terms energy: -460.475049 where: bonds (distance) C4'-P energy: -144.641 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: 24.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2713.927903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.927903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.927903 (E_RNA) where: Base-Base interactions energy: -1815.371 where: short stacking energy: -769.634 Base-Backbone interact. energy: 1.205 local terms energy: -899.761903 where: bonds (distance) C4'-P energy: -189.194 bonds (distance) P-C4' energy: -182.129 flat angles C4'-P-C4' energy: -194.962 flat angles P-C4'-P energy: -126.267 tors. eta vs tors. theta energy: -207.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2652.243975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.243975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.243975 (E_RNA) where: Base-Base interactions energy: -1772.832 where: short stacking energy: -852.811 Base-Backbone interact. energy: 1.374 local terms energy: -880.786329 where: bonds (distance) C4'-P energy: -153.448 bonds (distance) P-C4' energy: -174.874 flat angles C4'-P-C4' energy: -185.238 flat angles P-C4'-P energy: -139.407 tors. eta vs tors. theta energy: -227.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2500.936922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.936922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.936922 (E_RNA) where: Base-Base interactions energy: -1679.723 where: short stacking energy: -752.820 Base-Backbone interact. energy: -4.934 local terms energy: -816.280196 where: bonds (distance) C4'-P energy: -161.357 bonds (distance) P-C4' energy: -163.004 flat angles C4'-P-C4' energy: -176.674 flat angles P-C4'-P energy: -117.056 tors. eta vs tors. theta energy: -198.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2152.288052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.288052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.288052 (E_RNA) where: Base-Base interactions energy: -1368.048 where: short stacking energy: -638.881 Base-Backbone interact. energy: -1.524 local terms energy: -782.715967 where: bonds (distance) C4'-P energy: -155.121 bonds (distance) P-C4' energy: -164.860 flat angles C4'-P-C4' energy: -186.773 flat angles P-C4'-P energy: -121.728 tors. eta vs tors. theta energy: -154.233 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: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2067.583918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.583918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.583918 (E_RNA) where: Base-Base interactions energy: -1330.811 where: short stacking energy: -613.901 Base-Backbone interact. energy: -2.176 local terms energy: -734.597388 where: bonds (distance) C4'-P energy: -150.311 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -184.055 flat angles P-C4'-P energy: -106.608 tors. eta vs tors. theta energy: -134.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1791.350406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.350406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.350406 (E_RNA) where: Base-Base interactions energy: -1141.038 where: short stacking energy: -550.394 Base-Backbone interact. energy: -1.202 local terms energy: -649.110491 where: bonds (distance) C4'-P energy: -140.919 bonds (distance) P-C4' energy: -146.441 flat angles C4'-P-C4' energy: -152.067 flat angles P-C4'-P energy: -101.980 tors. eta vs tors. theta energy: -107.704 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: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1526.847514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.847514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.847514 (E_RNA) where: Base-Base interactions energy: -924.879 where: short stacking energy: -439.847 Base-Backbone interact. energy: 0.390 local terms energy: -602.358323 where: bonds (distance) C4'-P energy: -158.977 bonds (distance) P-C4' energy: -171.282 flat angles C4'-P-C4' energy: -150.148 flat angles P-C4'-P energy: -62.639 tors. eta vs tors. theta energy: -59.313 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1339.808788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.808788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.808788 (E_RNA) where: Base-Base interactions energy: -761.403 where: short stacking energy: -391.227 Base-Backbone interact. energy: 1.325 local terms energy: -579.730875 where: bonds (distance) C4'-P energy: -149.468 bonds (distance) P-C4' energy: -168.882 flat angles C4'-P-C4' energy: -132.415 flat angles P-C4'-P energy: -91.898 tors. eta vs tors. theta energy: -37.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1146.422154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.422154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.422154 (E_RNA) where: Base-Base interactions energy: -646.217 where: short stacking energy: -342.032 Base-Backbone interact. energy: 2.329 local terms energy: -502.534448 where: bonds (distance) C4'-P energy: -133.284 bonds (distance) P-C4' energy: -154.106 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -78.834 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -925.816618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.816618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.816618 (E_RNA) where: Base-Base interactions energy: -473.899 where: short stacking energy: -245.613 Base-Backbone interact. energy: -2.588 local terms energy: -449.329970 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -137.646 flat angles C4'-P-C4' energy: -126.112 flat angles P-C4'-P energy: -77.972 tors. eta vs tors. theta energy: 26.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2751.026259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.026259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.026259 (E_RNA) where: Base-Base interactions energy: -1864.726 where: short stacking energy: -810.527 Base-Backbone interact. energy: -0.012 local terms energy: -886.288427 where: bonds (distance) C4'-P energy: -164.643 bonds (distance) P-C4' energy: -178.228 flat angles C4'-P-C4' energy: -205.743 flat angles P-C4'-P energy: -122.775 tors. eta vs tors. theta energy: -214.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2654.041505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.041505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.041505 (E_RNA) where: Base-Base interactions energy: -1757.523 where: short stacking energy: -832.723 Base-Backbone interact. energy: -4.906 local terms energy: -891.612139 where: bonds (distance) C4'-P energy: -163.686 bonds (distance) P-C4' energy: -198.106 flat angles C4'-P-C4' energy: -189.252 flat angles P-C4'-P energy: -125.299 tors. eta vs tors. theta energy: -215.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2553.928307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.928307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.928307 (E_RNA) where: Base-Base interactions energy: -1667.469 where: short stacking energy: -748.175 Base-Backbone interact. energy: -4.139 local terms energy: -882.320118 where: bonds (distance) C4'-P energy: -172.364 bonds (distance) P-C4' energy: -200.402 flat angles C4'-P-C4' energy: -188.333 flat angles P-C4'-P energy: -115.291 tors. eta vs tors. theta energy: -205.930 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: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2156.583928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.583928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.583928 (E_RNA) where: Base-Base interactions energy: -1415.145 where: short stacking energy: -657.307 Base-Backbone interact. energy: 1.241 local terms energy: -742.679502 where: bonds (distance) C4'-P energy: -144.949 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -169.934 flat angles P-C4'-P energy: -127.466 tors. eta vs tors. theta energy: -155.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2082.653335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.653335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.653335 (E_RNA) where: Base-Base interactions energy: -1323.233 where: short stacking energy: -622.165 Base-Backbone interact. energy: -4.954 local terms energy: -754.466239 where: bonds (distance) C4'-P energy: -148.193 bonds (distance) P-C4' energy: -161.140 flat angles C4'-P-C4' energy: -185.420 flat angles P-C4'-P energy: -115.152 tors. eta vs tors. theta energy: -144.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1858.182997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.182997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.182997 (E_RNA) where: Base-Base interactions energy: -1169.180 where: short stacking energy: -554.143 Base-Backbone interact. energy: 4.278 local terms energy: -693.280282 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -152.906 flat angles C4'-P-C4' energy: -157.516 flat angles P-C4'-P energy: -104.620 tors. eta vs tors. theta energy: -127.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1462.324795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.324795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.324795 (E_RNA) where: Base-Base interactions energy: -848.573 where: short stacking energy: -398.998 Base-Backbone interact. energy: 1.902 local terms energy: -615.653411 where: bonds (distance) C4'-P energy: -160.070 bonds (distance) P-C4' energy: -150.144 flat angles C4'-P-C4' energy: -151.956 flat angles P-C4'-P energy: -93.036 tors. eta vs tors. theta energy: -60.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1353.890631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.890631 (E_RNA) where: Base-Base interactions energy: -795.123 where: short stacking energy: -368.410 Base-Backbone interact. energy: 2.380 local terms energy: -561.147239 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -174.177 flat angles C4'-P-C4' energy: -144.058 flat angles P-C4'-P energy: -65.218 tors. eta vs tors. theta energy: -53.971 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: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1085.420017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.420017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.420017 (E_RNA) where: Base-Base interactions energy: -575.902 where: short stacking energy: -310.214 Base-Backbone interact. energy: -2.949 local terms energy: -506.568698 where: bonds (distance) C4'-P energy: -138.252 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -140.390 flat angles P-C4'-P energy: -69.247 tors. eta vs tors. theta energy: -10.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -982.167756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.167756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.167756 (E_RNA) where: Base-Base interactions energy: -524.764 where: short stacking energy: -304.420 Base-Backbone interact. energy: -0.688 local terms energy: -456.715272 where: bonds (distance) C4'-P energy: -122.854 bonds (distance) P-C4' energy: -135.855 flat angles C4'-P-C4' energy: -131.815 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2709.262570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.262570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.262570 (E_RNA) where: Base-Base interactions energy: -1821.287 where: short stacking energy: -803.161 Base-Backbone interact. energy: -0.993 local terms energy: -886.983032 where: bonds (distance) C4'-P energy: -193.013 bonds (distance) P-C4' energy: -177.294 flat angles C4'-P-C4' energy: -192.497 flat angles P-C4'-P energy: -116.859 tors. eta vs tors. theta energy: -207.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2660.636608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.636608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.636608 (E_RNA) where: Base-Base interactions energy: -1775.068 where: short stacking energy: -826.636 Base-Backbone interact. energy: 0.028 local terms energy: -885.596289 where: bonds (distance) C4'-P energy: -176.287 bonds (distance) P-C4' energy: -181.993 flat angles C4'-P-C4' energy: -182.451 flat angles P-C4'-P energy: -118.179 tors. eta vs tors. theta energy: -226.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2455.586880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.586880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.586880 (E_RNA) where: Base-Base interactions energy: -1615.994 where: short stacking energy: -717.309 Base-Backbone interact. energy: -0.568 local terms energy: -839.024676 where: bonds (distance) C4'-P energy: -167.839 bonds (distance) P-C4' energy: -184.605 flat angles C4'-P-C4' energy: -190.428 flat angles P-C4'-P energy: -112.301 tors. eta vs tors. theta energy: -183.851 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: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2188.699160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.699160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.699160 (E_RNA) where: Base-Base interactions energy: -1397.431 where: short stacking energy: -656.373 Base-Backbone interact. energy: -0.837 local terms energy: -790.431216 where: bonds (distance) C4'-P energy: -174.749 bonds (distance) P-C4' energy: -185.020 flat angles C4'-P-C4' energy: -170.602 flat angles P-C4'-P energy: -102.119 tors. eta vs tors. theta energy: -157.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2026.668083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.668083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.668083 (E_RNA) where: Base-Base interactions energy: -1279.070 where: short stacking energy: -610.170 Base-Backbone interact. energy: -4.668 local terms energy: -742.929814 where: bonds (distance) C4'-P energy: -147.323 bonds (distance) P-C4' energy: -166.575 flat angles C4'-P-C4' energy: -168.543 flat angles P-C4'-P energy: -121.053 tors. eta vs tors. theta energy: -139.436 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: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1841.271946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.271946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.271946 (E_RNA) where: Base-Base interactions energy: -1158.263 where: short stacking energy: -524.051 Base-Backbone interact. energy: -4.704 local terms energy: -678.304848 where: bonds (distance) C4'-P energy: -161.467 bonds (distance) P-C4' energy: -157.004 flat angles C4'-P-C4' energy: -177.303 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -96.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1575.942058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.942058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.942058 (E_RNA) where: Base-Base interactions energy: -962.986 where: short stacking energy: -495.260 Base-Backbone interact. energy: -0.369 local terms energy: -612.586467 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -151.864 flat angles C4'-P-C4' energy: -149.450 flat angles P-C4'-P energy: -77.300 tors. eta vs tors. theta energy: -88.140 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: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1379.557755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.557755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.557755 (E_RNA) where: Base-Base interactions energy: -791.871 where: short stacking energy: -392.368 Base-Backbone interact. energy: 2.049 local terms energy: -589.735808 where: bonds (distance) C4'-P energy: -157.549 bonds (distance) P-C4' energy: -166.741 flat angles C4'-P-C4' energy: -133.226 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -55.018 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: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1070.005450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.005450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.005450 (E_RNA) where: Base-Base interactions energy: -592.422 where: short stacking energy: -346.090 Base-Backbone interact. energy: 0.829 local terms energy: -478.412720 where: bonds (distance) C4'-P energy: -121.121 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -122.416 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -30.195 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: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -967.932238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.932238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.932238 (E_RNA) where: Base-Base interactions energy: -473.786 where: short stacking energy: -282.624 Base-Backbone interact. energy: 5.615 local terms energy: -499.760978 where: bonds (distance) C4'-P energy: -118.994 bonds (distance) P-C4' energy: -173.469 flat angles C4'-P-C4' energy: -127.911 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: 6.899 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: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2741.600575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.600575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.600575 (E_RNA) where: Base-Base interactions energy: -1850.959 where: short stacking energy: -790.852 Base-Backbone interact. energy: -5.227 local terms energy: -885.414215 where: bonds (distance) C4'-P energy: -168.333 bonds (distance) P-C4' energy: -176.668 flat angles C4'-P-C4' energy: -202.481 flat angles P-C4'-P energy: -128.663 tors. eta vs tors. theta energy: -209.269 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: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2685.178014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.178014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.178014 (E_RNA) where: Base-Base interactions energy: -1787.783 where: short stacking energy: -846.460 Base-Backbone interact. energy: -2.772 local terms energy: -894.622652 where: bonds (distance) C4'-P energy: -157.330 bonds (distance) P-C4' energy: -177.605 flat angles C4'-P-C4' energy: -193.827 flat angles P-C4'-P energy: -133.474 tors. eta vs tors. theta energy: -232.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2389.362251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.362251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.362251 (E_RNA) where: Base-Base interactions energy: -1572.482 where: short stacking energy: -710.421 Base-Backbone interact. energy: -3.339 local terms energy: -813.540910 where: bonds (distance) C4'-P energy: -144.232 bonds (distance) P-C4' energy: -173.712 flat angles C4'-P-C4' energy: -195.529 flat angles P-C4'-P energy: -120.978 tors. eta vs tors. theta energy: -179.089 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: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2218.544703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.544703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.544703 (E_RNA) where: Base-Base interactions energy: -1437.162 where: short stacking energy: -699.094 Base-Backbone interact. energy: -1.814 local terms energy: -779.568633 where: bonds (distance) C4'-P energy: -144.682 bonds (distance) P-C4' energy: -170.680 flat angles C4'-P-C4' energy: -179.106 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -187.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1994.794431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.794431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.794431 (E_RNA) where: Base-Base interactions energy: -1232.790 where: short stacking energy: -603.104 Base-Backbone interact. energy: -0.118 local terms energy: -761.886398 where: bonds (distance) C4'-P energy: -156.102 bonds (distance) P-C4' energy: -183.721 flat angles C4'-P-C4' energy: -176.300 flat angles P-C4'-P energy: -103.542 tors. eta vs tors. theta energy: -142.222 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: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1837.037573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.037573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.037573 (E_RNA) where: Base-Base interactions energy: -1151.195 where: short stacking energy: -555.961 Base-Backbone interact. energy: 3.399 local terms energy: -689.241490 where: bonds (distance) C4'-P energy: -140.176 bonds (distance) P-C4' energy: -157.785 flat angles C4'-P-C4' energy: -166.556 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -123.101 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: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1536.399866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.399866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.399866 (E_RNA) where: Base-Base interactions energy: -926.303 where: short stacking energy: -439.946 Base-Backbone interact. energy: -2.741 local terms energy: -607.355072 where: bonds (distance) C4'-P energy: -149.175 bonds (distance) P-C4' energy: -178.642 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -58.481 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: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1350.322075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.322075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.322075 (E_RNA) where: Base-Base interactions energy: -783.255 where: short stacking energy: -402.815 Base-Backbone interact. energy: 3.791 local terms energy: -570.857629 where: bonds (distance) C4'-P energy: -150.792 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -145.075 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -33.606 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: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1077.819639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.819639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.819639 (E_RNA) where: Base-Base interactions energy: -576.440 where: short stacking energy: -310.453 Base-Backbone interact. energy: 6.311 local terms energy: -507.689889 where: bonds (distance) C4'-P energy: -142.007 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1093.034288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.034288 (E_RNA) where: Base-Base interactions energy: -585.226 where: short stacking energy: -297.049 Base-Backbone interact. energy: 1.975 local terms energy: -509.783430 where: bonds (distance) C4'-P energy: -151.389 bonds (distance) P-C4' energy: -151.987 flat angles C4'-P-C4' energy: -128.206 flat angles P-C4'-P energy: -71.988 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2750.840118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.840118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.840118 (E_RNA) where: Base-Base interactions energy: -1860.573 where: short stacking energy: -824.298 Base-Backbone interact. energy: -4.966 local terms energy: -885.301745 where: bonds (distance) C4'-P energy: -163.547 bonds (distance) P-C4' energy: -165.364 flat angles C4'-P-C4' energy: -204.677 flat angles P-C4'-P energy: -118.918 tors. eta vs tors. theta energy: -232.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2724.605828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.605828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.605828 (E_RNA) where: Base-Base interactions energy: -1829.499 where: short stacking energy: -848.385 Base-Backbone interact. energy: -3.566 local terms energy: -891.541309 where: bonds (distance) C4'-P energy: -158.192 bonds (distance) P-C4' energy: -175.460 flat angles C4'-P-C4' energy: -194.815 flat angles P-C4'-P energy: -131.065 tors. eta vs tors. theta energy: -232.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2397.526551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.526551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.526551 (E_RNA) where: Base-Base interactions energy: -1585.358 where: short stacking energy: -744.491 Base-Backbone interact. energy: -0.258 local terms energy: -811.910524 where: bonds (distance) C4'-P energy: -158.760 bonds (distance) P-C4' energy: -183.807 flat angles C4'-P-C4' energy: -189.578 flat angles P-C4'-P energy: -107.014 tors. eta vs tors. theta energy: -172.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2199.446625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.446625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.446625 (E_RNA) where: Base-Base interactions energy: -1437.373 where: short stacking energy: -626.704 Base-Backbone interact. energy: -2.010 local terms energy: -760.064314 where: bonds (distance) C4'-P energy: -146.227 bonds (distance) P-C4' energy: -168.313 flat angles C4'-P-C4' energy: -173.404 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -160.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1977.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.577248 (E_RNA) where: Base-Base interactions energy: -1240.647 where: short stacking energy: -602.581 Base-Backbone interact. energy: 5.526 local terms energy: -742.456396 where: bonds (distance) C4'-P energy: -161.377 bonds (distance) P-C4' energy: -171.021 flat angles C4'-P-C4' energy: -173.511 flat angles P-C4'-P energy: -110.687 tors. eta vs tors. theta energy: -125.861 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: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1796.994248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.994248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.994248 (E_RNA) where: Base-Base interactions energy: -1120.780 where: short stacking energy: -540.982 Base-Backbone interact. energy: -1.532 local terms energy: -674.682771 where: bonds (distance) C4'-P energy: -157.967 bonds (distance) P-C4' energy: -159.895 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -105.956 tors. eta vs tors. theta energy: -112.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1601.150674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.150674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.150674 (E_RNA) where: Base-Base interactions energy: -962.578 where: short stacking energy: -475.670 Base-Backbone interact. energy: -1.873 local terms energy: -636.699875 where: bonds (distance) C4'-P energy: -151.844 bonds (distance) P-C4' energy: -165.573 flat angles C4'-P-C4' energy: -132.525 flat angles P-C4'-P energy: -103.757 tors. eta vs tors. theta energy: -83.002 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: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1346.323267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.323267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.323267 (E_RNA) where: Base-Base interactions energy: -800.410 where: short stacking energy: -395.257 Base-Backbone interact. energy: 2.764 local terms energy: -548.677412 where: bonds (distance) C4'-P energy: -140.993 bonds (distance) P-C4' energy: -146.619 flat angles C4'-P-C4' energy: -145.604 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -33.461 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: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1169.692632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.692632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.692632 (E_RNA) where: Base-Base interactions energy: -642.705 where: short stacking energy: -321.123 Base-Backbone interact. energy: 0.338 local terms energy: -527.325618 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -136.642 flat angles C4'-P-C4' energy: -140.883 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -19.478 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1009.315203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.315203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.315203 (E_RNA) where: Base-Base interactions energy: -513.005 where: short stacking energy: -275.367 Base-Backbone interact. energy: 5.980 local terms energy: -502.290614 where: bonds (distance) C4'-P energy: -147.498 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -132.814 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -11.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2779.182776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.182776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.182776 (E_RNA) where: Base-Base interactions energy: -1872.592 where: short stacking energy: -792.041 Base-Backbone interact. energy: -4.976 local terms energy: -901.614537 where: bonds (distance) C4'-P energy: -200.887 bonds (distance) P-C4' energy: -176.515 flat angles C4'-P-C4' energy: -196.464 flat angles P-C4'-P energy: -118.411 tors. eta vs tors. theta energy: -209.336 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2729.976855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.976855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.976855 (E_RNA) where: Base-Base interactions energy: -1842.558 where: short stacking energy: -835.570 Base-Backbone interact. energy: -4.152 local terms energy: -883.267361 where: bonds (distance) C4'-P energy: -173.774 bonds (distance) P-C4' energy: -169.924 flat angles C4'-P-C4' energy: -189.153 flat angles P-C4'-P energy: -126.602 tors. eta vs tors. theta energy: -223.814 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: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2360.151513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.151513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.151513 (E_RNA) where: Base-Base interactions energy: -1561.214 where: short stacking energy: -743.835 Base-Backbone interact. energy: 1.745 local terms energy: -800.682453 where: bonds (distance) C4'-P energy: -158.922 bonds (distance) P-C4' energy: -169.844 flat angles C4'-P-C4' energy: -165.930 flat angles P-C4'-P energy: -123.673 tors. eta vs tors. theta energy: -182.314 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: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2191.120954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.120954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.120954 (E_RNA) where: Base-Base interactions energy: -1452.702 where: short stacking energy: -638.970 Base-Backbone interact. energy: 1.416 local terms energy: -739.835545 where: bonds (distance) C4'-P energy: -168.663 bonds (distance) P-C4' energy: -150.723 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -96.108 tors. eta vs tors. theta energy: -146.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2070.259259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.259259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.259259 (E_RNA) where: Base-Base interactions energy: -1354.005 where: short stacking energy: -629.589 Base-Backbone interact. energy: -1.487 local terms energy: -714.766742 where: bonds (distance) C4'-P energy: -152.620 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -166.996 flat angles P-C4'-P energy: -101.691 tors. eta vs tors. theta energy: -140.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1854.574214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.574214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.574214 (E_RNA) where: Base-Base interactions energy: -1171.793 where: short stacking energy: -544.931 Base-Backbone interact. energy: 1.203 local terms energy: -683.984637 where: bonds (distance) C4'-P energy: -144.745 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -163.534 flat angles P-C4'-P energy: -115.545 tors. eta vs tors. theta energy: -102.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1549.203988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.203988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.203988 (E_RNA) where: Base-Base interactions energy: -919.091 where: short stacking energy: -465.940 Base-Backbone interact. energy: -1.471 local terms energy: -628.642829 where: bonds (distance) C4'-P energy: -145.003 bonds (distance) P-C4' energy: -153.780 flat angles C4'-P-C4' energy: -146.858 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -93.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1389.250357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.250357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.250357 (E_RNA) where: Base-Base interactions energy: -805.646 where: short stacking energy: -389.446 Base-Backbone interact. energy: 4.327 local terms energy: -587.931294 where: bonds (distance) C4'-P energy: -165.589 bonds (distance) P-C4' energy: -155.005 flat angles C4'-P-C4' energy: -122.222 flat angles P-C4'-P energy: -80.715 tors. eta vs tors. theta energy: -64.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1217.871866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.871866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.871866 (E_RNA) where: Base-Base interactions energy: -701.842 where: short stacking energy: -364.790 Base-Backbone interact. energy: -2.822 local terms energy: -513.208155 where: bonds (distance) C4'-P energy: -129.398 bonds (distance) P-C4' energy: -154.721 flat angles C4'-P-C4' energy: -122.923 flat angles P-C4'-P energy: -63.037 tors. eta vs tors. theta energy: -43.129 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1014.334145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.334145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.334145 (E_RNA) where: Base-Base interactions energy: -534.345 where: short stacking energy: -302.390 Base-Backbone interact. energy: -3.062 local terms energy: -476.927407 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -151.351 flat angles C4'-P-C4' energy: -140.370 flat angles P-C4'-P energy: -51.042 tors. eta vs tors. theta energy: -2.374 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2762.626245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.626245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.626245 (E_RNA) where: Base-Base interactions energy: -1866.937 where: short stacking energy: -802.219 Base-Backbone interact. energy: -1.008 local terms energy: -894.681481 where: bonds (distance) C4'-P energy: -177.854 bonds (distance) P-C4' energy: -174.519 flat angles C4'-P-C4' energy: -188.387 flat angles P-C4'-P energy: -134.161 tors. eta vs tors. theta energy: -219.759 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2770.838780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.838780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.838780 (E_RNA) where: Base-Base interactions energy: -1848.690 where: short stacking energy: -827.008 Base-Backbone interact. energy: -1.089 local terms energy: -921.059588 where: bonds (distance) C4'-P energy: -172.995 bonds (distance) P-C4' energy: -180.557 flat angles C4'-P-C4' energy: -199.999 flat angles P-C4'-P energy: -127.631 tors. eta vs tors. theta energy: -239.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2407.770315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.770315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.770315 (E_RNA) where: Base-Base interactions energy: -1583.027 where: short stacking energy: -721.050 Base-Backbone interact. energy: -3.518 local terms energy: -821.225095 where: bonds (distance) C4'-P energy: -178.372 bonds (distance) P-C4' energy: -181.274 flat angles C4'-P-C4' energy: -170.761 flat angles P-C4'-P energy: -97.895 tors. eta vs tors. theta energy: -192.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2224.404066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.404066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.404066 (E_RNA) where: Base-Base interactions energy: -1429.761 where: short stacking energy: -713.327 Base-Backbone interact. energy: -2.426 local terms energy: -792.216650 where: bonds (distance) C4'-P energy: -157.454 bonds (distance) P-C4' energy: -163.653 flat angles C4'-P-C4' energy: -180.482 flat angles P-C4'-P energy: -102.648 tors. eta vs tors. theta energy: -187.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2009.295325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.295325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.295325 (E_RNA) where: Base-Base interactions energy: -1294.734 where: short stacking energy: -626.147 Base-Backbone interact. energy: 0.119 local terms energy: -714.679640 where: bonds (distance) C4'-P energy: -150.484 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -182.488 flat angles P-C4'-P energy: -93.857 tors. eta vs tors. theta energy: -141.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1755.102542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.102542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.102542 (E_RNA) where: Base-Base interactions energy: -1092.704 where: short stacking energy: -509.564 Base-Backbone interact. energy: 2.031 local terms energy: -664.429223 where: bonds (distance) C4'-P energy: -143.728 bonds (distance) P-C4' energy: -164.052 flat angles C4'-P-C4' energy: -162.005 flat angles P-C4'-P energy: -117.278 tors. eta vs tors. theta energy: -77.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1524.747433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.747433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.747433 (E_RNA) where: Base-Base interactions energy: -921.535 where: short stacking energy: -443.405 Base-Backbone interact. energy: 1.961 local terms energy: -605.172975 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -152.873 flat angles C4'-P-C4' energy: -168.727 flat angles P-C4'-P energy: -83.052 tors. eta vs tors. theta energy: -55.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1405.715864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.715864 (E_RNA) where: Base-Base interactions energy: -829.254 where: short stacking energy: -378.885 Base-Backbone interact. energy: 1.387 local terms energy: -577.848518 where: bonds (distance) C4'-P energy: -163.494 bonds (distance) P-C4' energy: -147.042 flat angles C4'-P-C4' energy: -149.111 flat angles P-C4'-P energy: -84.318 tors. eta vs tors. theta energy: -33.885 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1213.496857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.496857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.496857 (E_RNA) where: Base-Base interactions energy: -712.689 where: short stacking energy: -346.036 Base-Backbone interact. energy: 0.604 local terms energy: -501.412264 where: bonds (distance) C4'-P energy: -154.904 bonds (distance) P-C4' energy: -148.016 flat angles C4'-P-C4' energy: -135.712 flat angles P-C4'-P energy: -40.182 tors. eta vs tors. theta energy: -22.599 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: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -972.674540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.674540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.674540 (E_RNA) where: Base-Base interactions energy: -511.000 where: short stacking energy: -266.326 Base-Backbone interact. energy: -2.318 local terms energy: -459.356826 where: bonds (distance) C4'-P energy: -138.568 bonds (distance) P-C4' energy: -156.040 flat angles C4'-P-C4' energy: -106.694 flat angles P-C4'-P energy: -58.854 tors. eta vs tors. theta energy: 0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2778.086968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.086968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.086968 (E_RNA) where: Base-Base interactions energy: -1868.242 where: short stacking energy: -829.670 Base-Backbone interact. energy: -1.868 local terms energy: -907.977061 where: bonds (distance) C4'-P energy: -173.643 bonds (distance) P-C4' energy: -182.183 flat angles C4'-P-C4' energy: -195.866 flat angles P-C4'-P energy: -130.265 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: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2807.172576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.172576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.172576 (E_RNA) where: Base-Base interactions energy: -1900.038 where: short stacking energy: -876.370 Base-Backbone interact. energy: -2.120 local terms energy: -905.014645 where: bonds (distance) C4'-P energy: -164.798 bonds (distance) P-C4' energy: -162.039 flat angles C4'-P-C4' energy: -193.865 flat angles P-C4'-P energy: -140.091 tors. eta vs tors. theta energy: -244.222 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: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2407.617401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.617401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.617401 (E_RNA) where: Base-Base interactions energy: -1615.088 where: short stacking energy: -758.907 Base-Backbone interact. energy: 4.072 local terms energy: -796.601505 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -165.313 flat angles C4'-P-C4' energy: -168.679 flat angles P-C4'-P energy: -106.933 tors. eta vs tors. theta energy: -191.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2162.479090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.479090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.479090 (E_RNA) where: Base-Base interactions energy: -1373.774 where: short stacking energy: -648.122 Base-Backbone interact. energy: -0.112 local terms energy: -788.592924 where: bonds (distance) C4'-P energy: -177.815 bonds (distance) P-C4' energy: -170.053 flat angles C4'-P-C4' energy: -173.168 flat angles P-C4'-P energy: -106.450 tors. eta vs tors. theta energy: -161.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1982.726268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.726268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.726268 (E_RNA) where: Base-Base interactions energy: -1310.078 where: short stacking energy: -590.573 Base-Backbone interact. energy: -1.285 local terms energy: -671.362985 where: bonds (distance) C4'-P energy: -142.791 bonds (distance) P-C4' energy: -158.090 flat angles C4'-P-C4' energy: -159.254 flat angles P-C4'-P energy: -95.289 tors. eta vs tors. theta energy: -115.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1813.158463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.158463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.158463 (E_RNA) where: Base-Base interactions energy: -1155.277 where: short stacking energy: -519.818 Base-Backbone interact. energy: -3.101 local terms energy: -654.780457 where: bonds (distance) C4'-P energy: -144.667 bonds (distance) P-C4' energy: -147.302 flat angles C4'-P-C4' energy: -165.612 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -106.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1543.161981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.161981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.161981 (E_RNA) where: Base-Base interactions energy: -912.004 where: short stacking energy: -448.761 Base-Backbone interact. energy: 2.330 local terms energy: -633.488181 where: bonds (distance) C4'-P energy: -140.828 bonds (distance) P-C4' energy: -169.272 flat angles C4'-P-C4' energy: -146.576 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: -93.982 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1419.149098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.149098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.149098 (E_RNA) where: Base-Base interactions energy: -851.012 where: short stacking energy: -399.843 Base-Backbone interact. energy: 2.670 local terms energy: -570.807706 where: bonds (distance) C4'-P energy: -127.782 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -160.089 flat angles P-C4'-P energy: -94.009 tors. eta vs tors. theta energy: -35.403 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: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1233.496898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.496898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.496898 (E_RNA) where: Base-Base interactions energy: -724.910 where: short stacking energy: -341.327 Base-Backbone interact. energy: -2.334 local terms energy: -506.253246 where: bonds (distance) C4'-P energy: -137.738 bonds (distance) P-C4' energy: -153.272 flat angles C4'-P-C4' energy: -132.071 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: -19.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -952.429772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.429772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.429772 (E_RNA) where: Base-Base interactions energy: -514.786 where: short stacking energy: -294.840 Base-Backbone interact. energy: 2.634 local terms energy: -440.277945 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -137.794 flat angles C4'-P-C4' energy: -128.366 flat angles P-C4'-P energy: -60.320 tors. eta vs tors. theta energy: 1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2889.173653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.173653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.173653 (E_RNA) where: Base-Base interactions energy: -1937.066 where: short stacking energy: -885.429 Base-Backbone interact. energy: -2.535 local terms energy: -949.572458 where: bonds (distance) C4'-P energy: -184.580 bonds (distance) P-C4' energy: -187.056 flat angles C4'-P-C4' energy: -200.572 flat angles P-C4'-P energy: -135.941 tors. eta vs tors. theta energy: -241.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2689.469356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.469356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.469356 (E_RNA) where: Base-Base interactions energy: -1828.031 where: short stacking energy: -773.961 Base-Backbone interact. energy: -1.672 local terms energy: -859.766972 where: bonds (distance) C4'-P energy: -169.560 bonds (distance) P-C4' energy: -169.138 flat angles C4'-P-C4' energy: -198.131 flat angles P-C4'-P energy: -128.755 tors. eta vs tors. theta energy: -194.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2438.813933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.813933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.813933 (E_RNA) where: Base-Base interactions energy: -1607.302 where: short stacking energy: -731.025 Base-Backbone interact. energy: 0.114 local terms energy: -831.625998 where: bonds (distance) C4'-P energy: -157.901 bonds (distance) P-C4' energy: -166.647 flat angles C4'-P-C4' energy: -179.084 flat angles P-C4'-P energy: -129.918 tors. eta vs tors. theta energy: -198.077 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: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2158.430768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.430768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.430768 (E_RNA) where: Base-Base interactions energy: -1395.561 where: short stacking energy: -693.342 Base-Backbone interact. energy: -1.291 local terms energy: -761.579317 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -155.666 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -114.488 tors. eta vs tors. theta energy: -162.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2017.940188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.940188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.940188 (E_RNA) where: Base-Base interactions energy: -1268.142 where: short stacking energy: -587.276 Base-Backbone interact. energy: -3.534 local terms energy: -746.264586 where: bonds (distance) C4'-P energy: -147.751 bonds (distance) P-C4' energy: -172.334 flat angles C4'-P-C4' energy: -182.578 flat angles P-C4'-P energy: -105.296 tors. eta vs tors. theta energy: -138.304 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: 66 Temperature: 1.150000 Total energy: -1878.744411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.744411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.744411 (E_RNA) where: Base-Base interactions energy: -1203.073 where: short stacking energy: -522.164 Base-Backbone interact. energy: -3.380 local terms energy: -672.291914 where: bonds (distance) C4'-P energy: -165.128 bonds (distance) P-C4' energy: -148.173 flat angles C4'-P-C4' energy: -172.469 flat angles P-C4'-P energy: -96.630 tors. eta vs tors. theta energy: -89.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1665.915305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.915305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.915305 (E_RNA) where: Base-Base interactions energy: -1008.591 where: short stacking energy: -500.465 Base-Backbone interact. energy: 1.681 local terms energy: -659.005173 where: bonds (distance) C4'-P energy: -148.829 bonds (distance) P-C4' energy: -146.712 flat angles C4'-P-C4' energy: -164.395 flat angles P-C4'-P energy: -107.751 tors. eta vs tors. theta energy: -91.318 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: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1506.137056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.137056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.137056 (E_RNA) where: Base-Base interactions energy: -913.443 where: short stacking energy: -437.577 Base-Backbone interact. energy: 2.574 local terms energy: -595.268169 where: bonds (distance) C4'-P energy: -132.430 bonds (distance) P-C4' energy: -152.474 flat angles C4'-P-C4' energy: -158.763 flat angles P-C4'-P energy: -99.904 tors. eta vs tors. theta energy: -51.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1223.328942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.328942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.328942 (E_RNA) where: Base-Base interactions energy: -719.731 where: short stacking energy: -379.512 Base-Backbone interact. energy: 2.163 local terms energy: -505.760724 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -107.465 flat angles P-C4'-P energy: -77.183 tors. eta vs tors. theta energy: -41.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -983.689243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.689243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.689243 (E_RNA) where: Base-Base interactions energy: -481.052 where: short stacking energy: -266.836 Base-Backbone interact. energy: 3.277 local terms energy: -505.913806 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -163.068 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -87.573 tors. eta vs tors. theta energy: 5.446 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: 67 Temperature: 0.900000 Total energy: -2910.277872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.277872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.277872 (E_RNA) where: Base-Base interactions energy: -1951.187 where: short stacking energy: -902.271 Base-Backbone interact. energy: -2.377 local terms energy: -956.713831 where: bonds (distance) C4'-P energy: -161.260 bonds (distance) P-C4' energy: -186.597 flat angles C4'-P-C4' energy: -207.259 flat angles P-C4'-P energy: -135.242 tors. eta vs tors. theta energy: -266.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2652.000701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.000701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.000701 (E_RNA) where: Base-Base interactions energy: -1795.558 where: short stacking energy: -750.922 Base-Backbone interact. energy: -2.206 local terms energy: -854.236808 where: bonds (distance) C4'-P energy: -159.823 bonds (distance) P-C4' energy: -186.700 flat angles C4'-P-C4' energy: -200.623 flat angles P-C4'-P energy: -124.706 tors. eta vs tors. theta energy: -182.385 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: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2397.670076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.670076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.670076 (E_RNA) where: Base-Base interactions energy: -1554.390 where: short stacking energy: -710.017 Base-Backbone interact. energy: -0.424 local terms energy: -842.855969 where: bonds (distance) C4'-P energy: -166.796 bonds (distance) P-C4' energy: -148.788 flat angles C4'-P-C4' energy: -198.717 flat angles P-C4'-P energy: -136.596 tors. eta vs tors. theta energy: -191.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2163.768986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.768986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.768986 (E_RNA) where: Base-Base interactions energy: -1361.001 where: short stacking energy: -689.637 Base-Backbone interact. energy: 0.436 local terms energy: -803.203955 where: bonds (distance) C4'-P energy: -166.295 bonds (distance) P-C4' energy: -171.105 flat angles C4'-P-C4' energy: -182.256 flat angles P-C4'-P energy: -120.409 tors. eta vs tors. theta energy: -163.139 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: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2006.292830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.292830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.292830 (E_RNA) where: Base-Base interactions energy: -1283.351 where: short stacking energy: -564.471 Base-Backbone interact. energy: 0.310 local terms energy: -723.251216 where: bonds (distance) C4'-P energy: -160.753 bonds (distance) P-C4' energy: -168.329 flat angles C4'-P-C4' energy: -153.969 flat angles P-C4'-P energy: -117.872 tors. eta vs tors. theta energy: -122.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1875.683571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.683571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.683571 (E_RNA) where: Base-Base interactions energy: -1187.758 where: short stacking energy: -564.345 Base-Backbone interact. energy: -1.628 local terms energy: -686.297595 where: bonds (distance) C4'-P energy: -148.856 bonds (distance) P-C4' energy: -173.626 flat angles C4'-P-C4' energy: -156.251 flat angles P-C4'-P energy: -99.905 tors. eta vs tors. theta energy: -107.659 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: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1662.143831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.143831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.143831 (E_RNA) where: Base-Base interactions energy: -982.809 where: short stacking energy: -485.498 Base-Backbone interact. energy: 1.500 local terms energy: -680.834714 where: bonds (distance) C4'-P energy: -151.614 bonds (distance) P-C4' energy: -158.787 flat angles C4'-P-C4' energy: -154.178 flat angles P-C4'-P energy: -115.884 tors. eta vs tors. theta energy: -100.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1437.992456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.992456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.992456 (E_RNA) where: Base-Base interactions energy: -869.021 where: short stacking energy: -403.581 Base-Backbone interact. energy: 2.298 local terms energy: -571.269173 where: bonds (distance) C4'-P energy: -145.934 bonds (distance) P-C4' energy: -137.890 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -75.659 tors. eta vs tors. theta energy: -56.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1219.491297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.491297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.491297 (E_RNA) where: Base-Base interactions energy: -719.888 where: short stacking energy: -391.197 Base-Backbone interact. energy: -0.521 local terms energy: -499.081993 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -156.021 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -46.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -947.405124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.405124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.405124 (E_RNA) where: Base-Base interactions energy: -475.032 where: short stacking energy: -252.174 Base-Backbone interact. energy: 2.007 local terms energy: -474.379280 where: bonds (distance) C4'-P energy: -149.460 bonds (distance) P-C4' energy: -160.114 flat angles C4'-P-C4' energy: -107.710 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: 16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2942.921980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.921980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.921980 (E_RNA) where: Base-Base interactions energy: -1962.102 where: short stacking energy: -902.108 Base-Backbone interact. energy: -1.769 local terms energy: -979.051278 where: bonds (distance) C4'-P energy: -192.000 bonds (distance) P-C4' energy: -178.733 flat angles C4'-P-C4' energy: -200.433 flat angles P-C4'-P energy: -131.591 tors. eta vs tors. theta energy: -276.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2627.106773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.106773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.106773 (E_RNA) where: Base-Base interactions energy: -1772.500 where: short stacking energy: -767.195 Base-Backbone interact. energy: -4.067 local terms energy: -850.539687 where: bonds (distance) C4'-P energy: -172.013 bonds (distance) P-C4' energy: -162.905 flat angles C4'-P-C4' energy: -202.406 flat angles P-C4'-P energy: -113.529 tors. eta vs tors. theta energy: -199.688 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: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2436.784827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.784827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.784827 (E_RNA) where: Base-Base interactions energy: -1599.238 where: short stacking energy: -735.442 Base-Backbone interact. energy: -4.011 local terms energy: -833.536061 where: bonds (distance) C4'-P energy: -170.223 bonds (distance) P-C4' energy: -179.553 flat angles C4'-P-C4' energy: -174.716 flat angles P-C4'-P energy: -115.029 tors. eta vs tors. theta energy: -194.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2168.068428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.068428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.068428 (E_RNA) where: Base-Base interactions energy: -1364.385 where: short stacking energy: -654.209 Base-Backbone interact. energy: 1.245 local terms energy: -804.927961 where: bonds (distance) C4'-P energy: -165.686 bonds (distance) P-C4' energy: -157.950 flat angles C4'-P-C4' energy: -182.379 flat angles P-C4'-P energy: -119.240 tors. eta vs tors. theta energy: -179.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2020.168666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.168666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.168666 (E_RNA) where: Base-Base interactions energy: -1271.675 where: short stacking energy: -621.950 Base-Backbone interact. energy: 4.045 local terms energy: -752.538221 where: bonds (distance) C4'-P energy: -168.336 bonds (distance) P-C4' energy: -192.443 flat angles C4'-P-C4' energy: -146.365 flat angles P-C4'-P energy: -105.351 tors. eta vs tors. theta energy: -140.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1922.746776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.746776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.746776 (E_RNA) where: Base-Base interactions energy: -1223.217 where: short stacking energy: -564.374 Base-Backbone interact. energy: -2.393 local terms energy: -697.136430 where: bonds (distance) C4'-P energy: -154.607 bonds (distance) P-C4' energy: -171.540 flat angles C4'-P-C4' energy: -152.994 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -125.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1654.659451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.659451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.659451 (E_RNA) where: Base-Base interactions energy: -1005.907 where: short stacking energy: -482.149 Base-Backbone interact. energy: -3.586 local terms energy: -645.165870 where: bonds (distance) C4'-P energy: -146.467 bonds (distance) P-C4' energy: -160.677 flat angles C4'-P-C4' energy: -149.367 flat angles P-C4'-P energy: -101.299 tors. eta vs tors. theta energy: -87.357 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: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1429.039328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.039328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.039328 (E_RNA) where: Base-Base interactions energy: -858.210 where: short stacking energy: -411.009 Base-Backbone interact. energy: 5.642 local terms energy: -576.472292 where: bonds (distance) C4'-P energy: -134.137 bonds (distance) P-C4' energy: -163.899 flat angles C4'-P-C4' energy: -150.506 flat angles P-C4'-P energy: -98.143 tors. eta vs tors. theta energy: -29.787 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: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1198.422961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.422961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.422961 (E_RNA) where: Base-Base interactions energy: -671.933 where: short stacking energy: -338.019 Base-Backbone interact. energy: 1.559 local terms energy: -528.048974 where: bonds (distance) C4'-P energy: -145.315 bonds (distance) P-C4' energy: -146.500 flat angles C4'-P-C4' energy: -125.495 flat angles P-C4'-P energy: -102.016 tors. eta vs tors. theta energy: -8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -979.281148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.281148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.281148 (E_RNA) where: Base-Base interactions energy: -505.799 where: short stacking energy: -287.085 Base-Backbone interact. energy: 0.384 local terms energy: -473.865557 where: bonds (distance) C4'-P energy: -131.302 bonds (distance) P-C4' energy: -154.014 flat angles C4'-P-C4' energy: -116.574 flat angles P-C4'-P energy: -63.687 tors. eta vs tors. theta energy: -8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2904.605702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.605702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.605702 (E_RNA) where: Base-Base interactions energy: -1948.419 where: short stacking energy: -907.784 Base-Backbone interact. energy: -5.327 local terms energy: -950.858831 where: bonds (distance) C4'-P energy: -192.624 bonds (distance) P-C4' energy: -169.129 flat angles C4'-P-C4' energy: -197.789 flat angles P-C4'-P energy: -126.157 tors. eta vs tors. theta energy: -265.160 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: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2670.844139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.844139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.844139 (E_RNA) where: Base-Base interactions energy: -1797.118 where: short stacking energy: -786.089 Base-Backbone interact. energy: -4.635 local terms energy: -869.091317 where: bonds (distance) C4'-P energy: -176.964 bonds (distance) P-C4' energy: -182.632 flat angles C4'-P-C4' energy: -192.651 flat angles P-C4'-P energy: -112.498 tors. eta vs tors. theta energy: -204.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2401.969843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.969843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.969843 (E_RNA) where: Base-Base interactions energy: -1593.066 where: short stacking energy: -737.211 Base-Backbone interact. energy: -3.461 local terms energy: -805.443522 where: bonds (distance) C4'-P energy: -145.982 bonds (distance) P-C4' energy: -168.250 flat angles C4'-P-C4' energy: -184.390 flat angles P-C4'-P energy: -119.225 tors. eta vs tors. theta energy: -187.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2197.321987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.321987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.321987 (E_RNA) where: Base-Base interactions energy: -1399.890 where: short stacking energy: -666.425 Base-Backbone interact. energy: -0.356 local terms energy: -797.076420 where: bonds (distance) C4'-P energy: -160.799 bonds (distance) P-C4' energy: -170.984 flat angles C4'-P-C4' energy: -182.742 flat angles P-C4'-P energy: -116.092 tors. eta vs tors. theta energy: -166.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2020.444968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.444968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.444968 (E_RNA) where: Base-Base interactions energy: -1294.649 where: short stacking energy: -609.917 Base-Backbone interact. energy: -2.465 local terms energy: -723.331709 where: bonds (distance) C4'-P energy: -155.077 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -171.190 flat angles P-C4'-P energy: -106.361 tors. eta vs tors. theta energy: -122.232 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: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1840.154220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.154220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.154220 (E_RNA) where: Base-Base interactions energy: -1166.904 where: short stacking energy: -526.611 Base-Backbone interact. energy: 0.067 local terms energy: -673.316999 where: bonds (distance) C4'-P energy: -151.849 bonds (distance) P-C4' energy: -166.728 flat angles C4'-P-C4' energy: -160.363 flat angles P-C4'-P energy: -97.663 tors. eta vs tors. theta energy: -96.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1637.054536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.054536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.054536 (E_RNA) where: Base-Base interactions energy: -1016.582 where: short stacking energy: -469.773 Base-Backbone interact. energy: -3.621 local terms energy: -616.851419 where: bonds (distance) C4'-P energy: -145.069 bonds (distance) P-C4' energy: -161.193 flat angles C4'-P-C4' energy: -162.656 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -69.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1459.758755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.758755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.758755 (E_RNA) where: Base-Base interactions energy: -895.525 where: short stacking energy: -454.748 Base-Backbone interact. energy: -1.573 local terms energy: -562.661278 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -138.072 flat angles C4'-P-C4' energy: -139.975 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -64.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1217.259904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.259904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.259904 (E_RNA) where: Base-Base interactions energy: -645.376 where: short stacking energy: -341.418 Base-Backbone interact. energy: 5.717 local terms energy: -577.600706 where: bonds (distance) C4'-P energy: -141.272 bonds (distance) P-C4' energy: -173.371 flat angles C4'-P-C4' energy: -143.944 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -38.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -983.256089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.256089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.256089 (E_RNA) where: Base-Base interactions energy: -486.777 where: short stacking energy: -285.899 Base-Backbone interact. energy: 2.683 local terms energy: -499.161714 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -146.198 flat angles C4'-P-C4' energy: -131.090 flat angles P-C4'-P energy: -76.517 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2896.310234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.310234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.310234 (E_RNA) where: Base-Base interactions energy: -1936.364 where: short stacking energy: -900.320 Base-Backbone interact. energy: -5.058 local terms energy: -954.887794 where: bonds (distance) C4'-P energy: -182.921 bonds (distance) P-C4' energy: -193.388 flat angles C4'-P-C4' energy: -197.005 flat angles P-C4'-P energy: -125.578 tors. eta vs tors. theta energy: -255.996 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: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2661.358729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.358729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.358729 (E_RNA) where: Base-Base interactions energy: -1804.649 where: short stacking energy: -818.582 Base-Backbone interact. energy: -5.407 local terms energy: -851.302456 where: bonds (distance) C4'-P energy: -158.522 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -202.501 flat angles P-C4'-P energy: -113.540 tors. eta vs tors. theta energy: -222.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2417.469352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.469352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.469352 (E_RNA) where: Base-Base interactions energy: -1578.936 where: short stacking energy: -762.828 Base-Backbone interact. energy: -1.174 local terms energy: -837.359646 where: bonds (distance) C4'-P energy: -166.440 bonds (distance) P-C4' energy: -175.692 flat angles C4'-P-C4' energy: -182.652 flat angles P-C4'-P energy: -128.748 tors. eta vs tors. theta energy: -183.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2126.017891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.017891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.017891 (E_RNA) where: Base-Base interactions energy: -1350.251 where: short stacking energy: -646.053 Base-Backbone interact. energy: -2.615 local terms energy: -773.152246 where: bonds (distance) C4'-P energy: -172.220 bonds (distance) P-C4' energy: -168.787 flat angles C4'-P-C4' energy: -179.552 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -157.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1948.467193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.467193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.467193 (E_RNA) where: Base-Base interactions energy: -1205.940 where: short stacking energy: -562.028 Base-Backbone interact. energy: -1.204 local terms energy: -741.323060 where: bonds (distance) C4'-P energy: -161.000 bonds (distance) P-C4' energy: -168.129 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -108.783 tors. eta vs tors. theta energy: -136.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1867.837816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.837816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.837816 (E_RNA) where: Base-Base interactions energy: -1201.068 where: short stacking energy: -556.042 Base-Backbone interact. energy: -2.971 local terms energy: -663.798959 where: bonds (distance) C4'-P energy: -136.139 bonds (distance) P-C4' energy: -171.811 flat angles C4'-P-C4' energy: -171.332 flat angles P-C4'-P energy: -95.651 tors. eta vs tors. theta energy: -88.865 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: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1604.944922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.944922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.944922 (E_RNA) where: Base-Base interactions energy: -989.355 where: short stacking energy: -453.397 Base-Backbone interact. energy: 5.403 local terms energy: -620.992843 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -157.340 flat angles C4'-P-C4' energy: -157.889 flat angles P-C4'-P energy: -101.041 tors. eta vs tors. theta energy: -68.147 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1440.156216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.156216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.156216 (E_RNA) where: Base-Base interactions energy: -853.997 where: short stacking energy: -423.341 Base-Backbone interact. energy: -1.654 local terms energy: -584.505565 where: bonds (distance) C4'-P energy: -154.519 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -90.974 tors. eta vs tors. theta energy: -43.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1213.547535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.547535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.547535 (E_RNA) where: Base-Base interactions energy: -651.126 where: short stacking energy: -346.364 Base-Backbone interact. energy: 1.467 local terms energy: -563.888164 where: bonds (distance) C4'-P energy: -139.709 bonds (distance) P-C4' energy: -150.425 flat angles C4'-P-C4' energy: -139.190 flat angles P-C4'-P energy: -99.532 tors. eta vs tors. theta energy: -35.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -925.366467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.366467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.366467 (E_RNA) where: Base-Base interactions energy: -467.953 where: short stacking energy: -273.679 Base-Backbone interact. energy: 0.749 local terms energy: -458.162303 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -153.248 flat angles C4'-P-C4' energy: -97.443 flat angles P-C4'-P energy: -83.277 tors. eta vs tors. theta energy: 12.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2900.856871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.856871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.856871 (E_RNA) where: Base-Base interactions energy: -1949.029 where: short stacking energy: -897.521 Base-Backbone interact. energy: -0.810 local terms energy: -951.018386 where: bonds (distance) C4'-P energy: -170.696 bonds (distance) P-C4' energy: -190.369 flat angles C4'-P-C4' energy: -204.006 flat angles P-C4'-P energy: -131.101 tors. eta vs tors. theta energy: -254.846 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: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2660.824010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.824010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.824010 (E_RNA) where: Base-Base interactions energy: -1803.735 where: short stacking energy: -776.453 Base-Backbone interact. energy: -6.245 local terms energy: -850.844376 where: bonds (distance) C4'-P energy: -160.996 bonds (distance) P-C4' energy: -179.306 flat angles C4'-P-C4' energy: -197.234 flat angles P-C4'-P energy: -123.692 tors. eta vs tors. theta energy: -189.616 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: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2376.644405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.644405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.644405 (E_RNA) where: Base-Base interactions energy: -1577.140 where: short stacking energy: -754.351 Base-Backbone interact. energy: -0.313 local terms energy: -799.191670 where: bonds (distance) C4'-P energy: -152.660 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -175.479 flat angles P-C4'-P energy: -103.089 tors. eta vs tors. theta energy: -200.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2186.118601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.118601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.118601 (E_RNA) where: Base-Base interactions energy: -1415.918 where: short stacking energy: -688.458 Base-Backbone interact. energy: 0.874 local terms energy: -771.074722 where: bonds (distance) C4'-P energy: -155.550 bonds (distance) P-C4' energy: -155.485 flat angles C4'-P-C4' energy: -186.661 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -164.649 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: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1923.835901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.835901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.835901 (E_RNA) where: Base-Base interactions energy: -1208.392 where: short stacking energy: -562.346 Base-Backbone interact. energy: -0.922 local terms energy: -714.522097 where: bonds (distance) C4'-P energy: -158.933 bonds (distance) P-C4' energy: -171.417 flat angles C4'-P-C4' energy: -171.750 flat angles P-C4'-P energy: -93.016 tors. eta vs tors. theta energy: -119.407 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: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1879.180169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.180169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.180169 (E_RNA) where: Base-Base interactions energy: -1213.442 where: short stacking energy: -583.413 Base-Backbone interact. energy: -2.624 local terms energy: -663.114323 where: bonds (distance) C4'-P energy: -146.082 bonds (distance) P-C4' energy: -163.723 flat angles C4'-P-C4' energy: -153.601 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -97.530 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: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1625.008647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.008647 (E_RNA) where: Base-Base interactions energy: -1017.639 where: short stacking energy: -467.049 Base-Backbone interact. energy: -3.698 local terms energy: -603.671033 where: bonds (distance) C4'-P energy: -142.038 bonds (distance) P-C4' energy: -146.251 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -76.822 tors. eta vs tors. theta energy: -89.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1434.271922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.271922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.271922 (E_RNA) where: Base-Base interactions energy: -883.461 where: short stacking energy: -414.351 Base-Backbone interact. energy: 3.029 local terms energy: -553.839699 where: bonds (distance) C4'-P energy: -142.163 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -134.313 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -54.219 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1221.991506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.991506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.991506 (E_RNA) where: Base-Base interactions energy: -671.457 where: short stacking energy: -349.825 Base-Backbone interact. energy: 0.089 local terms energy: -550.623095 where: bonds (distance) C4'-P energy: -139.590 bonds (distance) P-C4' energy: -150.482 flat angles C4'-P-C4' energy: -153.816 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: -33.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -997.218744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.218744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.218744 (E_RNA) where: Base-Base interactions energy: -502.634 where: short stacking energy: -273.990 Base-Backbone interact. energy: 3.784 local terms energy: -498.368122 where: bonds (distance) C4'-P energy: -145.669 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -129.403 flat angles P-C4'-P energy: -78.534 tors. eta vs tors. theta energy: -2.958 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: 72 Temperature: 0.900000 Total energy: -2928.862261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.862261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.862261 (E_RNA) where: Base-Base interactions energy: -1956.225 where: short stacking energy: -916.763 Base-Backbone interact. energy: -3.298 local terms energy: -969.338753 where: bonds (distance) C4'-P energy: -163.782 bonds (distance) P-C4' energy: -183.205 flat angles C4'-P-C4' energy: -209.202 flat angles P-C4'-P energy: -147.678 tors. eta vs tors. theta energy: -265.472 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: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2671.964239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.964239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.964239 (E_RNA) where: Base-Base interactions energy: -1814.546 where: short stacking energy: -768.721 Base-Backbone interact. energy: -3.424 local terms energy: -853.993979 where: bonds (distance) C4'-P energy: -184.022 bonds (distance) P-C4' energy: -166.922 flat angles C4'-P-C4' energy: -198.263 flat angles P-C4'-P energy: -113.648 tors. eta vs tors. theta energy: -191.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2373.109939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.109939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.109939 (E_RNA) where: Base-Base interactions energy: -1551.197 where: short stacking energy: -713.492 Base-Backbone interact. energy: -6.890 local terms energy: -815.023144 where: bonds (distance) C4'-P energy: -175.232 bonds (distance) P-C4' energy: -157.957 flat angles C4'-P-C4' energy: -176.747 flat angles P-C4'-P energy: -118.895 tors. eta vs tors. theta energy: -186.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2155.584232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.584232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.584232 (E_RNA) where: Base-Base interactions energy: -1366.362 where: short stacking energy: -641.001 Base-Backbone interact. energy: -4.344 local terms energy: -784.877749 where: bonds (distance) C4'-P energy: -159.275 bonds (distance) P-C4' energy: -162.619 flat angles C4'-P-C4' energy: -181.710 flat angles P-C4'-P energy: -120.928 tors. eta vs tors. theta energy: -160.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1982.838990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.838990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.838990 (E_RNA) where: Base-Base interactions energy: -1227.221 where: short stacking energy: -613.823 Base-Backbone interact. energy: 0.718 local terms energy: -756.335881 where: bonds (distance) C4'-P energy: -159.186 bonds (distance) P-C4' energy: -177.617 flat angles C4'-P-C4' energy: -174.664 flat angles P-C4'-P energy: -92.357 tors. eta vs tors. theta energy: -152.512 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1890.205418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.205418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.205418 (E_RNA) where: Base-Base interactions energy: -1226.591 where: short stacking energy: -553.813 Base-Backbone interact. energy: -3.128 local terms energy: -660.485791 where: bonds (distance) C4'-P energy: -162.224 bonds (distance) P-C4' energy: -128.961 flat angles C4'-P-C4' energy: -156.304 flat angles P-C4'-P energy: -108.229 tors. eta vs tors. theta energy: -104.768 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: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1690.729178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.729178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.729178 (E_RNA) where: Base-Base interactions energy: -1075.674 where: short stacking energy: -495.726 Base-Backbone interact. energy: -0.438 local terms energy: -614.617637 where: bonds (distance) C4'-P energy: -149.887 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -154.440 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -81.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1394.653000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.653000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.653000 (E_RNA) where: Base-Base interactions energy: -814.844 where: short stacking energy: -427.510 Base-Backbone interact. energy: -0.964 local terms energy: -578.845171 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -152.779 flat angles C4'-P-C4' energy: -149.132 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -53.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1225.947394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.947394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.947394 (E_RNA) where: Base-Base interactions energy: -719.285 where: short stacking energy: -357.462 Base-Backbone interact. energy: 1.413 local terms energy: -508.075550 where: bonds (distance) C4'-P energy: -129.473 bonds (distance) P-C4' energy: -124.987 flat angles C4'-P-C4' energy: -127.473 flat angles P-C4'-P energy: -94.831 tors. eta vs tors. theta energy: -31.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -942.540278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.540278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.540278 (E_RNA) where: Base-Base interactions energy: -449.857 where: short stacking energy: -263.497 Base-Backbone interact. energy: -0.873 local terms energy: -491.810209 where: bonds (distance) C4'-P energy: -141.157 bonds (distance) P-C4' energy: -141.243 flat angles C4'-P-C4' energy: -134.064 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -0.236 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: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2911.672860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.672860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.672860 (E_RNA) where: Base-Base interactions energy: -1972.442 where: short stacking energy: -900.421 Base-Backbone interact. energy: -3.111 local terms energy: -936.119191 where: bonds (distance) C4'-P energy: -163.022 bonds (distance) P-C4' energy: -180.979 flat angles C4'-P-C4' energy: -196.036 flat angles P-C4'-P energy: -140.430 tors. eta vs tors. theta energy: -255.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2643.658477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.658477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.658477 (E_RNA) where: Base-Base interactions energy: -1790.424 where: short stacking energy: -780.603 Base-Backbone interact. energy: -5.138 local terms energy: -848.096506 where: bonds (distance) C4'-P energy: -153.012 bonds (distance) P-C4' energy: -173.665 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -106.043 tors. eta vs tors. theta energy: -217.940 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: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2456.745115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.745115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.745115 (E_RNA) where: Base-Base interactions energy: -1639.705 where: short stacking energy: -733.756 Base-Backbone interact. energy: -2.792 local terms energy: -814.247883 where: bonds (distance) C4'-P energy: -155.795 bonds (distance) P-C4' energy: -178.140 flat angles C4'-P-C4' energy: -176.687 flat angles P-C4'-P energy: -114.888 tors. eta vs tors. theta energy: -188.738 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: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2153.583086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.583086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.583086 (E_RNA) where: Base-Base interactions energy: -1375.969 where: short stacking energy: -642.227 Base-Backbone interact. energy: -2.769 local terms energy: -774.844664 where: bonds (distance) C4'-P energy: -170.550 bonds (distance) P-C4' energy: -163.883 flat angles C4'-P-C4' energy: -169.950 flat angles P-C4'-P energy: -117.226 tors. eta vs tors. theta energy: -153.235 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: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1997.423865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.423865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.423865 (E_RNA) where: Base-Base interactions energy: -1256.652 where: short stacking energy: -628.378 Base-Backbone interact. energy: 0.553 local terms energy: -741.324521 where: bonds (distance) C4'-P energy: -163.946 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -171.147 flat angles P-C4'-P energy: -105.317 tors. eta vs tors. theta energy: -142.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1987.091017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.091017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.091017 (E_RNA) where: Base-Base interactions energy: -1261.546 where: short stacking energy: -602.580 Base-Backbone interact. energy: -2.388 local terms energy: -723.156556 where: bonds (distance) C4'-P energy: -155.912 bonds (distance) P-C4' energy: -164.670 flat angles C4'-P-C4' energy: -174.660 flat angles P-C4'-P energy: -103.847 tors. eta vs tors. theta energy: -124.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1685.399406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.399406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.399406 (E_RNA) where: Base-Base interactions energy: -1060.382 where: short stacking energy: -468.490 Base-Backbone interact. energy: -0.286 local terms energy: -624.730966 where: bonds (distance) C4'-P energy: -139.441 bonds (distance) P-C4' energy: -145.410 flat angles C4'-P-C4' energy: -170.496 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -83.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1469.077108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.077108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.077108 (E_RNA) where: Base-Base interactions energy: -873.087 where: short stacking energy: -421.355 Base-Backbone interact. energy: -1.779 local terms energy: -594.211317 where: bonds (distance) C4'-P energy: -143.041 bonds (distance) P-C4' energy: -158.541 flat angles C4'-P-C4' energy: -160.204 flat angles P-C4'-P energy: -90.682 tors. eta vs tors. theta energy: -41.744 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: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1249.071675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.071675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.071675 (E_RNA) where: Base-Base interactions energy: -711.115 where: short stacking energy: -350.470 Base-Backbone interact. energy: 0.474 local terms energy: -538.430722 where: bonds (distance) C4'-P energy: -144.413 bonds (distance) P-C4' energy: -136.857 flat angles C4'-P-C4' energy: -150.143 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -35.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -934.407113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.407113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.407113 (E_RNA) where: Base-Base interactions energy: -482.661 where: short stacking energy: -281.028 Base-Backbone interact. energy: 2.775 local terms energy: -454.521348 where: bonds (distance) C4'-P energy: -125.788 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2923.045473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.045473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.045473 (E_RNA) where: Base-Base interactions energy: -1931.437 where: short stacking energy: -873.363 Base-Backbone interact. energy: -2.238 local terms energy: -989.370258 where: bonds (distance) C4'-P energy: -194.772 bonds (distance) P-C4' energy: -191.346 flat angles C4'-P-C4' energy: -202.745 flat angles P-C4'-P energy: -137.722 tors. eta vs tors. theta energy: -262.785 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2644.824357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.824357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.824357 (E_RNA) where: Base-Base interactions energy: -1789.814 where: short stacking energy: -751.984 Base-Backbone interact. energy: 0.058 local terms energy: -855.067799 where: bonds (distance) C4'-P energy: -175.929 bonds (distance) P-C4' energy: -183.014 flat angles C4'-P-C4' energy: -197.729 flat angles P-C4'-P energy: -113.888 tors. eta vs tors. theta energy: -184.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2463.873172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.873172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.873172 (E_RNA) where: Base-Base interactions energy: -1629.269 where: short stacking energy: -732.972 Base-Backbone interact. energy: -4.434 local terms energy: -830.170141 where: bonds (distance) C4'-P energy: -165.905 bonds (distance) P-C4' energy: -189.287 flat angles C4'-P-C4' energy: -171.409 flat angles P-C4'-P energy: -113.503 tors. eta vs tors. theta energy: -190.067 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2169.553227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.553227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.553227 (E_RNA) where: Base-Base interactions energy: -1362.331 where: short stacking energy: -631.587 Base-Backbone interact. energy: -4.000 local terms energy: -803.222844 where: bonds (distance) C4'-P energy: -159.757 bonds (distance) P-C4' energy: -174.740 flat angles C4'-P-C4' energy: -188.941 flat angles P-C4'-P energy: -119.386 tors. eta vs tors. theta energy: -160.399 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: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1997.331320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.331320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.331320 (E_RNA) where: Base-Base interactions energy: -1254.620 where: short stacking energy: -602.177 Base-Backbone interact. energy: -2.341 local terms energy: -740.370585 where: bonds (distance) C4'-P energy: -168.954 bonds (distance) P-C4' energy: -161.544 flat angles C4'-P-C4' energy: -173.199 flat angles P-C4'-P energy: -117.540 tors. eta vs tors. theta energy: -119.134 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: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1861.807231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.807231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.807231 (E_RNA) where: Base-Base interactions energy: -1206.201 where: short stacking energy: -521.237 Base-Backbone interact. energy: -1.579 local terms energy: -654.027498 where: bonds (distance) C4'-P energy: -147.667 bonds (distance) P-C4' energy: -150.136 flat angles C4'-P-C4' energy: -159.929 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -110.222 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: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1666.255703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.255703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.255703 (E_RNA) where: Base-Base interactions energy: -1067.890 where: short stacking energy: -473.133 Base-Backbone interact. energy: 2.919 local terms energy: -601.284186 where: bonds (distance) C4'-P energy: -157.025 bonds (distance) P-C4' energy: -146.061 flat angles C4'-P-C4' energy: -142.699 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -74.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1481.946023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.946023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.946023 (E_RNA) where: Base-Base interactions energy: -907.394 where: short stacking energy: -419.383 Base-Backbone interact. energy: 6.093 local terms energy: -580.644605 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -134.245 flat angles P-C4'-P energy: -84.343 tors. eta vs tors. theta energy: -63.781 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: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1214.870077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.870077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.870077 (E_RNA) where: Base-Base interactions energy: -724.522 where: short stacking energy: -335.382 Base-Backbone interact. energy: -1.679 local terms energy: -488.668605 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -132.441 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -13.729 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: 74 Temperature: 1.350000 Total energy: -907.630948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.630948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.630948 (E_RNA) where: Base-Base interactions energy: -436.061 where: short stacking energy: -250.629 Base-Backbone interact. energy: 1.625 local terms energy: -473.194520 where: bonds (distance) C4'-P energy: -141.524 bonds (distance) P-C4' energy: -151.343 flat angles C4'-P-C4' energy: -138.849 flat angles P-C4'-P energy: -57.007 tors. eta vs tors. theta energy: 15.528 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: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2955.576053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.576053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.576053 (E_RNA) where: Base-Base interactions energy: -1983.250 where: short stacking energy: -948.527 Base-Backbone interact. energy: -2.008 local terms energy: -970.318028 where: bonds (distance) C4'-P energy: -189.308 bonds (distance) P-C4' energy: -178.608 flat angles C4'-P-C4' energy: -191.656 flat angles P-C4'-P energy: -140.878 tors. eta vs tors. theta energy: -269.868 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: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2638.395720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.395720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.395720 (E_RNA) where: Base-Base interactions energy: -1777.546 where: short stacking energy: -727.652 Base-Backbone interact. energy: -5.958 local terms energy: -854.891233 where: bonds (distance) C4'-P energy: -173.777 bonds (distance) P-C4' energy: -192.997 flat angles C4'-P-C4' energy: -196.112 flat angles P-C4'-P energy: -104.283 tors. eta vs tors. theta energy: -187.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2442.563005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.563005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.563005 (E_RNA) where: Base-Base interactions energy: -1610.213 where: short stacking energy: -728.601 Base-Backbone interact. energy: 3.212 local terms energy: -835.562614 where: bonds (distance) C4'-P energy: -182.042 bonds (distance) P-C4' energy: -168.703 flat angles C4'-P-C4' energy: -179.846 flat angles P-C4'-P energy: -118.684 tors. eta vs tors. theta energy: -186.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2122.091686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.091686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.091686 (E_RNA) where: Base-Base interactions energy: -1335.118 where: short stacking energy: -640.272 Base-Backbone interact. energy: 0.141 local terms energy: -787.114123 where: bonds (distance) C4'-P energy: -153.361 bonds (distance) P-C4' energy: -192.618 flat angles C4'-P-C4' energy: -176.146 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -163.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2056.653265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.653265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.653265 (E_RNA) where: Base-Base interactions energy: -1324.221 where: short stacking energy: -631.476 Base-Backbone interact. energy: 2.253 local terms energy: -734.685973 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -158.310 flat angles C4'-P-C4' energy: -180.969 flat angles P-C4'-P energy: -87.644 tors. eta vs tors. theta energy: -154.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1985.220415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.220415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.220415 (E_RNA) where: Base-Base interactions energy: -1311.956 where: short stacking energy: -592.621 Base-Backbone interact. energy: -3.403 local terms energy: -669.861951 where: bonds (distance) C4'-P energy: -120.908 bonds (distance) P-C4' energy: -164.826 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -133.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1608.781510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.781510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.781510 (E_RNA) where: Base-Base interactions energy: -1003.325 where: short stacking energy: -482.145 Base-Backbone interact. energy: 1.745 local terms energy: -607.201287 where: bonds (distance) C4'-P energy: -147.856 bonds (distance) P-C4' energy: -163.566 flat angles C4'-P-C4' energy: -130.403 flat angles P-C4'-P energy: -86.538 tors. eta vs tors. theta energy: -78.838 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: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1417.271565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.271565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.271565 (E_RNA) where: Base-Base interactions energy: -845.840 where: short stacking energy: -396.549 Base-Backbone interact. energy: 3.683 local terms energy: -575.114860 where: bonds (distance) C4'-P energy: -134.739 bonds (distance) P-C4' energy: -155.470 flat angles C4'-P-C4' energy: -150.843 flat angles P-C4'-P energy: -83.601 tors. eta vs tors. theta energy: -50.461 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: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1268.096814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.096814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.096814 (E_RNA) where: Base-Base interactions energy: -754.629 where: short stacking energy: -366.444 Base-Backbone interact. energy: 1.328 local terms energy: -514.795247 where: bonds (distance) C4'-P energy: -134.502 bonds (distance) P-C4' energy: -132.311 flat angles C4'-P-C4' energy: -148.153 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -31.149 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: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -907.384042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.384042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.384042 (E_RNA) where: Base-Base interactions energy: -419.498 where: short stacking energy: -233.554 Base-Backbone interact. energy: 0.204 local terms energy: -488.089940 where: bonds (distance) C4'-P energy: -142.946 bonds (distance) P-C4' energy: -182.459 flat angles C4'-P-C4' energy: -116.572 flat angles P-C4'-P energy: -76.939 tors. eta vs tors. theta energy: 30.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2991.665451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.665451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.665451 (E_RNA) where: Base-Base interactions energy: -2032.282 where: short stacking energy: -942.256 Base-Backbone interact. energy: 0.131 local terms energy: -959.514682 where: bonds (distance) C4'-P energy: -185.583 bonds (distance) P-C4' energy: -175.882 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -126.896 tors. eta vs tors. theta energy: -269.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2646.184911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.184911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.184911 (E_RNA) where: Base-Base interactions energy: -1797.380 where: short stacking energy: -785.443 Base-Backbone interact. energy: -3.755 local terms energy: -845.050389 where: bonds (distance) C4'-P energy: -156.329 bonds (distance) P-C4' energy: -162.588 flat angles C4'-P-C4' energy: -196.339 flat angles P-C4'-P energy: -119.534 tors. eta vs tors. theta energy: -210.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2412.118882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.118882 (E_RNA) where: Base-Base interactions energy: -1622.351 where: short stacking energy: -739.965 Base-Backbone interact. energy: -3.382 local terms energy: -786.385847 where: bonds (distance) C4'-P energy: -155.640 bonds (distance) P-C4' energy: -163.177 flat angles C4'-P-C4' energy: -186.368 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -180.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2122.573356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.573356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.573356 (E_RNA) where: Base-Base interactions energy: -1326.825 where: short stacking energy: -625.882 Base-Backbone interact. energy: 1.685 local terms energy: -797.433577 where: bonds (distance) C4'-P energy: -151.423 bonds (distance) P-C4' energy: -174.470 flat angles C4'-P-C4' energy: -184.952 flat angles P-C4'-P energy: -118.873 tors. eta vs tors. theta energy: -167.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2003.779458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.779458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.779458 (E_RNA) where: Base-Base interactions energy: -1292.025 where: short stacking energy: -597.366 Base-Backbone interact. energy: 6.654 local terms energy: -718.408411 where: bonds (distance) C4'-P energy: -154.503 bonds (distance) P-C4' energy: -154.626 flat angles C4'-P-C4' energy: -179.885 flat angles P-C4'-P energy: -98.204 tors. eta vs tors. theta energy: -131.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1941.656801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.656801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.656801 (E_RNA) where: Base-Base interactions energy: -1270.770 where: short stacking energy: -554.294 Base-Backbone interact. energy: -0.387 local terms energy: -670.499820 where: bonds (distance) C4'-P energy: -142.657 bonds (distance) P-C4' energy: -168.334 flat angles C4'-P-C4' energy: -154.433 flat angles P-C4'-P energy: -106.524 tors. eta vs tors. theta energy: -98.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1532.319397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.319397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.319397 (E_RNA) where: Base-Base interactions energy: -898.899 where: short stacking energy: -443.713 Base-Backbone interact. energy: -0.709 local terms energy: -632.711318 where: bonds (distance) C4'-P energy: -138.756 bonds (distance) P-C4' energy: -152.120 flat angles C4'-P-C4' energy: -178.068 flat angles P-C4'-P energy: -103.226 tors. eta vs tors. theta energy: -60.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1568.641197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.641197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.641197 (E_RNA) where: Base-Base interactions energy: -983.357 where: short stacking energy: -440.907 Base-Backbone interact. energy: -3.436 local terms energy: -581.848243 where: bonds (distance) C4'-P energy: -138.923 bonds (distance) P-C4' energy: -144.903 flat angles C4'-P-C4' energy: -154.362 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: -68.983 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: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1268.046649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.046649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.046649 (E_RNA) where: Base-Base interactions energy: -782.621 where: short stacking energy: -397.563 Base-Backbone interact. energy: 0.089 local terms energy: -485.515146 where: bonds (distance) C4'-P energy: -142.580 bonds (distance) P-C4' energy: -129.098 flat angles C4'-P-C4' energy: -135.701 flat angles P-C4'-P energy: -55.490 tors. eta vs tors. theta energy: -22.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -909.562990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.562990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.562990 (E_RNA) where: Base-Base interactions energy: -454.326 where: short stacking energy: -254.611 Base-Backbone interact. energy: 1.046 local terms energy: -456.282287 where: bonds (distance) C4'-P energy: -142.592 bonds (distance) P-C4' energy: -154.356 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -77.074 tors. eta vs tors. theta energy: 19.691 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: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2981.688114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.688114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.688114 (E_RNA) where: Base-Base interactions energy: -2031.317 where: short stacking energy: -942.079 Base-Backbone interact. energy: -1.214 local terms energy: -949.157307 where: bonds (distance) C4'-P energy: -165.106 bonds (distance) P-C4' energy: -184.144 flat angles C4'-P-C4' energy: -186.719 flat angles P-C4'-P energy: -141.266 tors. eta vs tors. theta energy: -271.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2673.987902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.987902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.987902 (E_RNA) where: Base-Base interactions energy: -1800.061 where: short stacking energy: -779.413 Base-Backbone interact. energy: -1.613 local terms energy: -872.313621 where: bonds (distance) C4'-P energy: -176.041 bonds (distance) P-C4' energy: -173.992 flat angles C4'-P-C4' energy: -200.961 flat angles P-C4'-P energy: -106.558 tors. eta vs tors. theta energy: -214.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2493.593237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.593237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.593237 (E_RNA) where: Base-Base interactions energy: -1648.372 where: short stacking energy: -737.951 Base-Backbone interact. energy: -1.819 local terms energy: -843.402434 where: bonds (distance) C4'-P energy: -171.099 bonds (distance) P-C4' energy: -176.044 flat angles C4'-P-C4' energy: -190.514 flat angles P-C4'-P energy: -103.378 tors. eta vs tors. theta energy: -202.367 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: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2215.129147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.129147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.129147 (E_RNA) where: Base-Base interactions energy: -1376.415 where: short stacking energy: -682.212 Base-Backbone interact. energy: -0.966 local terms energy: -837.749015 where: bonds (distance) C4'-P energy: -171.948 bonds (distance) P-C4' energy: -172.642 flat angles C4'-P-C4' energy: -175.858 flat angles P-C4'-P energy: -129.259 tors. eta vs tors. theta energy: -188.041 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: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1940.714324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.714324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.714324 (E_RNA) where: Base-Base interactions energy: -1229.438 where: short stacking energy: -584.565 Base-Backbone interact. energy: 0.684 local terms energy: -711.959504 where: bonds (distance) C4'-P energy: -136.159 bonds (distance) P-C4' energy: -157.266 flat angles C4'-P-C4' energy: -166.030 flat angles P-C4'-P energy: -116.586 tors. eta vs tors. theta energy: -135.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1967.038701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.038701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.038701 (E_RNA) where: Base-Base interactions energy: -1220.740 where: short stacking energy: -598.271 Base-Backbone interact. energy: -0.231 local terms energy: -746.067341 where: bonds (distance) C4'-P energy: -168.803 bonds (distance) P-C4' energy: -168.167 flat angles C4'-P-C4' energy: -168.981 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -154.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1616.378203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.378203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.378203 (E_RNA) where: Base-Base interactions energy: -1014.675 where: short stacking energy: -456.611 Base-Backbone interact. energy: -1.526 local terms energy: -600.177141 where: bonds (distance) C4'-P energy: -140.092 bonds (distance) P-C4' energy: -151.918 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -70.489 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: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1513.933633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.933633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.933633 (E_RNA) where: Base-Base interactions energy: -941.997 where: short stacking energy: -442.742 Base-Backbone interact. energy: -0.989 local terms energy: -570.947407 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -131.825 flat angles C4'-P-C4' energy: -139.200 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -67.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1253.120718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.120718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.120718 (E_RNA) where: Base-Base interactions energy: -733.863 where: short stacking energy: -369.366 Base-Backbone interact. energy: 1.194 local terms energy: -520.452092 where: bonds (distance) C4'-P energy: -122.399 bonds (distance) P-C4' energy: -143.536 flat angles C4'-P-C4' energy: -135.542 flat angles P-C4'-P energy: -63.675 tors. eta vs tors. theta energy: -55.299 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: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -916.934032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.934032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.934032 (E_RNA) where: Base-Base interactions energy: -477.964 where: short stacking energy: -270.528 Base-Backbone interact. energy: -1.512 local terms energy: -437.457770 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -147.857 flat angles C4'-P-C4' energy: -100.981 flat angles P-C4'-P energy: -73.994 tors. eta vs tors. theta energy: 9.156 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: 78 Temperature: 0.900000 Total energy: -2963.019789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.019789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.019789 (E_RNA) where: Base-Base interactions energy: -1997.510 where: short stacking energy: -940.682 Base-Backbone interact. energy: -0.150 local terms energy: -965.360173 where: bonds (distance) C4'-P energy: -182.613 bonds (distance) P-C4' energy: -167.608 flat angles C4'-P-C4' energy: -210.418 flat angles P-C4'-P energy: -138.439 tors. eta vs tors. theta energy: -266.282 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: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2709.541551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.541551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.541551 (E_RNA) where: Base-Base interactions energy: -1830.467 where: short stacking energy: -803.247 Base-Backbone interact. energy: -2.879 local terms energy: -876.194959 where: bonds (distance) C4'-P energy: -178.238 bonds (distance) P-C4' energy: -176.951 flat angles C4'-P-C4' energy: -186.236 flat angles P-C4'-P energy: -123.438 tors. eta vs tors. theta energy: -211.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2506.411961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.411961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.411961 (E_RNA) where: Base-Base interactions energy: -1682.088 where: short stacking energy: -770.508 Base-Backbone interact. energy: -3.710 local terms energy: -820.613312 where: bonds (distance) C4'-P energy: -145.948 bonds (distance) P-C4' energy: -177.082 flat angles C4'-P-C4' energy: -192.568 flat angles P-C4'-P energy: -115.098 tors. eta vs tors. theta energy: -189.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2314.120449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.120449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.120449 (E_RNA) where: Base-Base interactions energy: -1464.767 where: short stacking energy: -730.783 Base-Backbone interact. energy: 1.249 local terms energy: -850.603177 where: bonds (distance) C4'-P energy: -167.628 bonds (distance) P-C4' energy: -171.811 flat angles C4'-P-C4' energy: -197.768 flat angles P-C4'-P energy: -115.369 tors. eta vs tors. theta energy: -198.027 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: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1929.269085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.269085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.269085 (E_RNA) where: Base-Base interactions energy: -1207.510 where: short stacking energy: -598.473 Base-Backbone interact. energy: 1.471 local terms energy: -723.229775 where: bonds (distance) C4'-P energy: -165.160 bonds (distance) P-C4' energy: -160.061 flat angles C4'-P-C4' energy: -182.330 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -129.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1847.202047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.202047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.202047 (E_RNA) where: Base-Base interactions energy: -1154.523 where: short stacking energy: -527.061 Base-Backbone interact. energy: 0.988 local terms energy: -693.667194 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -152.107 flat angles C4'-P-C4' energy: -166.837 flat angles P-C4'-P energy: -118.542 tors. eta vs tors. theta energy: -107.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1591.052370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.052370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.052370 (E_RNA) where: Base-Base interactions energy: -933.336 where: short stacking energy: -458.015 Base-Backbone interact. energy: -2.295 local terms energy: -655.421394 where: bonds (distance) C4'-P energy: -155.678 bonds (distance) P-C4' energy: -155.518 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -105.822 tors. eta vs tors. theta energy: -83.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1462.314467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.314467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.314467 (E_RNA) where: Base-Base interactions energy: -858.803 where: short stacking energy: -411.205 Base-Backbone interact. energy: -2.485 local terms energy: -601.027054 where: bonds (distance) C4'-P energy: -139.035 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -167.439 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -66.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1297.227401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.227401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.227401 (E_RNA) where: Base-Base interactions energy: -780.546 where: short stacking energy: -361.617 Base-Backbone interact. energy: -1.270 local terms energy: -515.410458 where: bonds (distance) C4'-P energy: -151.492 bonds (distance) P-C4' energy: -128.325 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -24.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -918.578063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.578063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.578063 (E_RNA) where: Base-Base interactions energy: -439.905 where: short stacking energy: -289.007 Base-Backbone interact. energy: 3.091 local terms energy: -481.763509 where: bonds (distance) C4'-P energy: -123.815 bonds (distance) P-C4' energy: -157.445 flat angles C4'-P-C4' energy: -119.412 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: 1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2962.599303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.599303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.599303 (E_RNA) where: Base-Base interactions energy: -2014.324 where: short stacking energy: -931.398 Base-Backbone interact. energy: -1.168 local terms energy: -947.106612 where: bonds (distance) C4'-P energy: -164.873 bonds (distance) P-C4' energy: -170.575 flat angles C4'-P-C4' energy: -206.141 flat angles P-C4'-P energy: -136.219 tors. eta vs tors. theta energy: -269.298 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: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2712.084500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.084500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.084500 (E_RNA) where: Base-Base interactions energy: -1853.560 where: short stacking energy: -787.842 Base-Backbone interact. energy: 1.338 local terms energy: -859.862076 where: bonds (distance) C4'-P energy: -165.497 bonds (distance) P-C4' energy: -180.790 flat angles C4'-P-C4' energy: -199.179 flat angles P-C4'-P energy: -112.818 tors. eta vs tors. theta energy: -201.577 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: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2516.909780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.909780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.909780 (E_RNA) where: Base-Base interactions energy: -1689.300 where: short stacking energy: -770.094 Base-Backbone interact. energy: 0.692 local terms energy: -828.301504 where: bonds (distance) C4'-P energy: -179.416 bonds (distance) P-C4' energy: -141.673 flat angles C4'-P-C4' energy: -182.610 flat angles P-C4'-P energy: -133.990 tors. eta vs tors. theta energy: -190.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2244.496287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.496287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.496287 (E_RNA) where: Base-Base interactions energy: -1437.937 where: short stacking energy: -711.867 Base-Backbone interact. energy: 4.213 local terms energy: -810.772161 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -193.347 flat angles P-C4'-P energy: -123.582 tors. eta vs tors. theta energy: -177.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1930.340101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.340101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.340101 (E_RNA) where: Base-Base interactions energy: -1209.027 where: short stacking energy: -579.453 Base-Backbone interact. energy: -0.636 local terms energy: -720.677314 where: bonds (distance) C4'-P energy: -177.908 bonds (distance) P-C4' energy: -136.511 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -83.387 tors. eta vs tors. theta energy: -143.610 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: 79 Temperature: 1.150000 Total energy: -1842.751102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.751102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.751102 (E_RNA) where: Base-Base interactions energy: -1139.876 where: short stacking energy: -535.815 Base-Backbone interact. energy: -1.024 local terms energy: -701.851370 where: bonds (distance) C4'-P energy: -143.929 bonds (distance) P-C4' energy: -178.298 flat angles C4'-P-C4' energy: -153.173 flat angles P-C4'-P energy: -117.251 tors. eta vs tors. theta energy: -109.199 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: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1652.036124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.036124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.036124 (E_RNA) where: Base-Base interactions energy: -1033.385 where: short stacking energy: -482.354 Base-Backbone interact. energy: 2.216 local terms energy: -620.867265 where: bonds (distance) C4'-P energy: -145.092 bonds (distance) P-C4' energy: -155.846 flat angles C4'-P-C4' energy: -159.616 flat angles P-C4'-P energy: -80.503 tors. eta vs tors. theta energy: -79.809 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: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1491.865446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.865446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.865446 (E_RNA) where: Base-Base interactions energy: -906.619 where: short stacking energy: -460.408 Base-Backbone interact. energy: -1.161 local terms energy: -584.085548 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -80.708 tors. eta vs tors. theta energy: -49.425 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: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1258.610338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.610338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.610338 (E_RNA) where: Base-Base interactions energy: -719.588 where: short stacking energy: -376.239 Base-Backbone interact. energy: 4.907 local terms energy: -543.928655 where: bonds (distance) C4'-P energy: -156.898 bonds (distance) P-C4' energy: -148.899 flat angles C4'-P-C4' energy: -135.543 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -34.817 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: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -968.810084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.810084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.810084 (E_RNA) where: Base-Base interactions energy: -524.882 where: short stacking energy: -267.811 Base-Backbone interact. energy: 5.654 local terms energy: -449.582316 where: bonds (distance) C4'-P energy: -129.027 bonds (distance) P-C4' energy: -152.754 flat angles C4'-P-C4' energy: -112.840 flat angles P-C4'-P energy: -60.173 tors. eta vs tors. theta energy: 5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2960.909185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.909185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.909185 (E_RNA) where: Base-Base interactions energy: -2020.501 where: short stacking energy: -906.419 Base-Backbone interact. energy: -3.561 local terms energy: -936.847347 where: bonds (distance) C4'-P energy: -181.953 bonds (distance) P-C4' energy: -184.888 flat angles C4'-P-C4' energy: -186.963 flat angles P-C4'-P energy: -126.491 tors. eta vs tors. theta energy: -256.553 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: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2711.786400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.786400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.786400 (E_RNA) where: Base-Base interactions energy: -1807.831 where: short stacking energy: -771.724 Base-Backbone interact. energy: -1.546 local terms energy: -902.409987 where: bonds (distance) C4'-P energy: -185.233 bonds (distance) P-C4' energy: -181.327 flat angles C4'-P-C4' energy: -199.843 flat angles P-C4'-P energy: -134.025 tors. eta vs tors. theta energy: -201.982 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: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2465.920179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.920179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.920179 (E_RNA) where: Base-Base interactions energy: -1627.644 where: short stacking energy: -767.163 Base-Backbone interact. energy: -1.168 local terms energy: -837.107998 where: bonds (distance) C4'-P energy: -149.449 bonds (distance) P-C4' energy: -177.108 flat angles C4'-P-C4' energy: -192.142 flat angles P-C4'-P energy: -120.378 tors. eta vs tors. theta energy: -198.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2220.037267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.037267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.037267 (E_RNA) where: Base-Base interactions energy: -1428.242 where: short stacking energy: -693.872 Base-Backbone interact. energy: 0.342 local terms energy: -792.136636 where: bonds (distance) C4'-P energy: -159.763 bonds (distance) P-C4' energy: -163.063 flat angles C4'-P-C4' energy: -190.328 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -182.757 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: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1967.341201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.341201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.341201 (E_RNA) where: Base-Base interactions energy: -1255.813 where: short stacking energy: -567.978 Base-Backbone interact. energy: -0.923 local terms energy: -710.605210 where: bonds (distance) C4'-P energy: -161.152 bonds (distance) P-C4' energy: -135.718 flat angles C4'-P-C4' energy: -165.534 flat angles P-C4'-P energy: -115.117 tors. eta vs tors. theta energy: -133.084 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: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1838.202133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.202133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.202133 (E_RNA) where: Base-Base interactions energy: -1153.245 where: short stacking energy: -543.038 Base-Backbone interact. energy: -4.253 local terms energy: -680.704111 where: bonds (distance) C4'-P energy: -141.852 bonds (distance) P-C4' energy: -154.839 flat angles C4'-P-C4' energy: -167.916 flat angles P-C4'-P energy: -107.495 tors. eta vs tors. theta energy: -108.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1690.586345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.586345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.586345 (E_RNA) where: Base-Base interactions energy: -1072.682 where: short stacking energy: -528.059 Base-Backbone interact. energy: 8.920 local terms energy: -626.824856 where: bonds (distance) C4'-P energy: -148.852 bonds (distance) P-C4' energy: -144.698 flat angles C4'-P-C4' energy: -144.378 flat angles P-C4'-P energy: -79.107 tors. eta vs tors. theta energy: -109.790 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: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1555.142456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.142456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.142456 (E_RNA) where: Base-Base interactions energy: -962.804 where: short stacking energy: -475.484 Base-Backbone interact. energy: 7.098 local terms energy: -599.436966 where: bonds (distance) C4'-P energy: -139.304 bonds (distance) P-C4' energy: -161.643 flat angles C4'-P-C4' energy: -128.307 flat angles P-C4'-P energy: -97.445 tors. eta vs tors. theta energy: -72.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1265.335675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.335675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.335675 (E_RNA) where: Base-Base interactions energy: -751.716 where: short stacking energy: -379.629 Base-Backbone interact. energy: 4.054 local terms energy: -517.672842 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -154.387 flat angles C4'-P-C4' energy: -136.488 flat angles P-C4'-P energy: -65.865 tors. eta vs tors. theta energy: -17.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -948.299785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.299785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.299785 (E_RNA) where: Base-Base interactions energy: -477.266 where: short stacking energy: -257.682 Base-Backbone interact. energy: 7.180 local terms energy: -478.214034 where: bonds (distance) C4'-P energy: -126.039 bonds (distance) P-C4' energy: -148.837 flat angles C4'-P-C4' energy: -124.478 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: 13.223 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: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2949.940922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.940922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.940922 (E_RNA) where: Base-Base interactions energy: -2006.605 where: short stacking energy: -926.492 Base-Backbone interact. energy: 3.626 local terms energy: -946.961469 where: bonds (distance) C4'-P energy: -185.230 bonds (distance) P-C4' energy: -162.219 flat angles C4'-P-C4' energy: -205.581 flat angles P-C4'-P energy: -133.057 tors. eta vs tors. theta energy: -260.874 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: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2761.339822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.339822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.339822 (E_RNA) where: Base-Base interactions energy: -1890.083 where: short stacking energy: -822.668 Base-Backbone interact. energy: -5.288 local terms energy: -865.968487 where: bonds (distance) C4'-P energy: -167.318 bonds (distance) P-C4' energy: -177.878 flat angles C4'-P-C4' energy: -197.737 flat angles P-C4'-P energy: -119.002 tors. eta vs tors. theta energy: -204.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2459.538657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.538657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.538657 (E_RNA) where: Base-Base interactions energy: -1634.310 where: short stacking energy: -753.132 Base-Backbone interact. energy: -1.968 local terms energy: -823.260887 where: bonds (distance) C4'-P energy: -171.031 bonds (distance) P-C4' energy: -161.260 flat angles C4'-P-C4' energy: -189.411 flat angles P-C4'-P energy: -114.130 tors. eta vs tors. theta energy: -187.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2215.346911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.346911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.346911 (E_RNA) where: Base-Base interactions energy: -1404.735 where: short stacking energy: -691.506 Base-Backbone interact. energy: -6.536 local terms energy: -804.075659 where: bonds (distance) C4'-P energy: -143.754 bonds (distance) P-C4' energy: -190.582 flat angles C4'-P-C4' energy: -173.443 flat angles P-C4'-P energy: -116.699 tors. eta vs tors. theta energy: -179.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1989.570690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.570690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.570690 (E_RNA) where: Base-Base interactions energy: -1288.408 where: short stacking energy: -626.229 Base-Backbone interact. energy: 2.089 local terms energy: -703.250904 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -166.098 flat angles C4'-P-C4' energy: -155.250 flat angles P-C4'-P energy: -102.169 tors. eta vs tors. theta energy: -131.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1873.255447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.255447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.255447 (E_RNA) where: Base-Base interactions energy: -1180.507 where: short stacking energy: -535.629 Base-Backbone interact. energy: 2.212 local terms energy: -694.960547 where: bonds (distance) C4'-P energy: -146.498 bonds (distance) P-C4' energy: -174.064 flat angles C4'-P-C4' energy: -157.685 flat angles P-C4'-P energy: -118.323 tors. eta vs tors. theta energy: -98.391 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: 7, replica: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1585.226610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.226610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.226610 (E_RNA) where: Base-Base interactions energy: -941.111 where: short stacking energy: -451.862 Base-Backbone interact. energy: 5.688 local terms energy: -649.803295 where: bonds (distance) C4'-P energy: -147.813 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -174.060 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -79.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1511.086136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.086136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.086136 (E_RNA) where: Base-Base interactions energy: -908.766 where: short stacking energy: -443.198 Base-Backbone interact. energy: 0.759 local terms energy: -603.078986 where: bonds (distance) C4'-P energy: -126.213 bonds (distance) P-C4' energy: -158.377 flat angles C4'-P-C4' energy: -165.027 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -73.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1294.947035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.947035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.947035 (E_RNA) where: Base-Base interactions energy: -734.927 where: short stacking energy: -391.469 Base-Backbone interact. energy: 0.449 local terms energy: -560.469146 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -140.171 flat angles C4'-P-C4' energy: -125.069 flat angles P-C4'-P energy: -97.605 tors. eta vs tors. theta energy: -54.552 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: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -959.548532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.548532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.548532 (E_RNA) where: Base-Base interactions energy: -493.040 where: short stacking energy: -271.618 Base-Backbone interact. energy: 2.516 local terms energy: -469.024506 where: bonds (distance) C4'-P energy: -141.159 bonds (distance) P-C4' energy: -157.234 flat angles C4'-P-C4' energy: -130.618 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: 11.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2967.450711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.450711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.450711 (E_RNA) where: Base-Base interactions energy: -2004.338 where: short stacking energy: -913.162 Base-Backbone interact. energy: -1.544 local terms energy: -961.568499 where: bonds (distance) C4'-P energy: -179.918 bonds (distance) P-C4' energy: -175.808 flat angles C4'-P-C4' energy: -202.952 flat angles P-C4'-P energy: -146.616 tors. eta vs tors. theta energy: -256.274 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: 82 Temperature: 0.950000 Total energy: -2735.492136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.492136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.492136 (E_RNA) where: Base-Base interactions energy: -1839.480 where: short stacking energy: -781.419 Base-Backbone interact. energy: -4.623 local terms energy: -891.389288 where: bonds (distance) C4'-P energy: -172.549 bonds (distance) P-C4' energy: -182.347 flat angles C4'-P-C4' energy: -199.260 flat angles P-C4'-P energy: -136.842 tors. eta vs tors. theta energy: -200.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2505.928957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.928957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.928957 (E_RNA) where: Base-Base interactions energy: -1666.528 where: short stacking energy: -717.651 Base-Backbone interact. energy: -0.028 local terms energy: -839.373404 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -186.497 flat angles C4'-P-C4' energy: -187.817 flat angles P-C4'-P energy: -109.516 tors. eta vs tors. theta energy: -199.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2278.311723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.311723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.311723 (E_RNA) where: Base-Base interactions energy: -1475.001 where: short stacking energy: -730.763 Base-Backbone interact. energy: -1.015 local terms energy: -802.295271 where: bonds (distance) C4'-P energy: -160.376 bonds (distance) P-C4' energy: -173.276 flat angles C4'-P-C4' energy: -177.257 flat angles P-C4'-P energy: -107.015 tors. eta vs tors. theta energy: -184.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1985.544435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.544435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.544435 (E_RNA) where: Base-Base interactions energy: -1277.342 where: short stacking energy: -582.164 Base-Backbone interact. energy: -1.572 local terms energy: -706.630194 where: bonds (distance) C4'-P energy: -151.228 bonds (distance) P-C4' energy: -154.899 flat angles C4'-P-C4' energy: -171.748 flat angles P-C4'-P energy: -96.785 tors. eta vs tors. theta energy: -131.970 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: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1850.223828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.223828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.223828 (E_RNA) where: Base-Base interactions energy: -1138.864 where: short stacking energy: -532.986 Base-Backbone interact. energy: 1.415 local terms energy: -712.775360 where: bonds (distance) C4'-P energy: -150.185 bonds (distance) P-C4' energy: -174.865 flat angles C4'-P-C4' energy: -166.541 flat angles P-C4'-P energy: -107.121 tors. eta vs tors. theta energy: -114.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1587.768764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.768764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.768764 (E_RNA) where: Base-Base interactions energy: -990.974 where: short stacking energy: -475.437 Base-Backbone interact. energy: 2.513 local terms energy: -599.307448 where: bonds (distance) C4'-P energy: -133.230 bonds (distance) P-C4' energy: -161.145 flat angles C4'-P-C4' energy: -161.147 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -61.556 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: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1448.650947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.650947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.650947 (E_RNA) where: Base-Base interactions energy: -877.209 where: short stacking energy: -424.113 Base-Backbone interact. energy: 10.994 local terms energy: -582.435869 where: bonds (distance) C4'-P energy: -147.087 bonds (distance) P-C4' energy: -161.406 flat angles C4'-P-C4' energy: -144.437 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -51.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1310.290389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.290389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.290389 (E_RNA) where: Base-Base interactions energy: -765.290 where: short stacking energy: -357.923 Base-Backbone interact. energy: 8.061 local terms energy: -553.060919 where: bonds (distance) C4'-P energy: -132.843 bonds (distance) P-C4' energy: -161.384 flat angles C4'-P-C4' energy: -134.566 flat angles P-C4'-P energy: -91.129 tors. eta vs tors. theta energy: -33.139 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: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -939.629907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.629907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.629907 (E_RNA) where: Base-Base interactions energy: -442.916 where: short stacking energy: -258.639 Base-Backbone interact. energy: 1.588 local terms energy: -498.302250 where: bonds (distance) C4'-P energy: -154.706 bonds (distance) P-C4' energy: -173.442 flat angles C4'-P-C4' energy: -118.891 flat angles P-C4'-P energy: -59.175 tors. eta vs tors. theta energy: 7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2963.830495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.830495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.830495 (E_RNA) where: Base-Base interactions energy: -1981.977 where: short stacking energy: -928.270 Base-Backbone interact. energy: -2.997 local terms energy: -978.856617 where: bonds (distance) C4'-P energy: -180.330 bonds (distance) P-C4' energy: -186.437 flat angles C4'-P-C4' energy: -215.938 flat angles P-C4'-P energy: -129.997 tors. eta vs tors. theta energy: -266.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2759.841526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.841526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.841526 (E_RNA) where: Base-Base interactions energy: -1906.258 where: short stacking energy: -831.012 Base-Backbone interact. energy: -7.328 local terms energy: -846.256436 where: bonds (distance) C4'-P energy: -162.370 bonds (distance) P-C4' energy: -169.323 flat angles C4'-P-C4' energy: -181.592 flat angles P-C4'-P energy: -120.071 tors. eta vs tors. theta energy: -212.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2520.146629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.146629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.146629 (E_RNA) where: Base-Base interactions energy: -1714.104 where: short stacking energy: -783.574 Base-Backbone interact. energy: 1.051 local terms energy: -807.093680 where: bonds (distance) C4'-P energy: -167.292 bonds (distance) P-C4' energy: -159.008 flat angles C4'-P-C4' energy: -170.096 flat angles P-C4'-P energy: -105.675 tors. eta vs tors. theta energy: -205.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2279.787254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.787254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.787254 (E_RNA) where: Base-Base interactions energy: -1474.419 where: short stacking energy: -724.275 Base-Backbone interact. energy: -2.490 local terms energy: -802.878069 where: bonds (distance) C4'-P energy: -152.574 bonds (distance) P-C4' energy: -173.082 flat angles C4'-P-C4' energy: -189.875 flat angles P-C4'-P energy: -109.146 tors. eta vs tors. theta energy: -178.200 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: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2096.059567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.059567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.059567 (E_RNA) where: Base-Base interactions energy: -1361.756 where: short stacking energy: -592.945 Base-Backbone interact. energy: -3.974 local terms energy: -730.329727 where: bonds (distance) C4'-P energy: -160.029 bonds (distance) P-C4' energy: -165.350 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -108.149 tors. eta vs tors. theta energy: -127.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1858.901551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.901551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.901551 (E_RNA) where: Base-Base interactions energy: -1130.496 where: short stacking energy: -532.318 Base-Backbone interact. energy: -3.177 local terms energy: -725.228786 where: bonds (distance) C4'-P energy: -149.442 bonds (distance) P-C4' energy: -193.528 flat angles C4'-P-C4' energy: -155.663 flat angles P-C4'-P energy: -124.225 tors. eta vs tors. theta energy: -102.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1616.412005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.412005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.412005 (E_RNA) where: Base-Base interactions energy: -1015.977 where: short stacking energy: -474.180 Base-Backbone interact. energy: -3.815 local terms energy: -596.619240 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -153.156 flat angles C4'-P-C4' energy: -160.105 flat angles P-C4'-P energy: -85.562 tors. eta vs tors. theta energy: -61.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1478.579423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.579423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.579423 (E_RNA) where: Base-Base interactions energy: -877.606 where: short stacking energy: -390.111 Base-Backbone interact. energy: 0.606 local terms energy: -601.580029 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -168.883 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -56.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1325.847635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.847635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.847635 (E_RNA) where: Base-Base interactions energy: -786.913 where: short stacking energy: -393.102 Base-Backbone interact. energy: -0.759 local terms energy: -538.175775 where: bonds (distance) C4'-P energy: -130.648 bonds (distance) P-C4' energy: -137.591 flat angles C4'-P-C4' energy: -122.679 flat angles P-C4'-P energy: -104.255 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: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -915.970153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.970153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.970153 (E_RNA) where: Base-Base interactions energy: -401.473 where: short stacking energy: -233.624 Base-Backbone interact. energy: 0.860 local terms energy: -515.356930 where: bonds (distance) C4'-P energy: -146.592 bonds (distance) P-C4' energy: -163.540 flat angles C4'-P-C4' energy: -119.368 flat angles P-C4'-P energy: -78.810 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2982.902589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.902589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.902589 (E_RNA) where: Base-Base interactions energy: -2016.062 where: short stacking energy: -895.330 Base-Backbone interact. energy: -3.451 local terms energy: -963.389605 where: bonds (distance) C4'-P energy: -193.521 bonds (distance) P-C4' energy: -171.495 flat angles C4'-P-C4' energy: -210.086 flat angles P-C4'-P energy: -135.992 tors. eta vs tors. theta energy: -252.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2706.989352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.989352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.989352 (E_RNA) where: Base-Base interactions energy: -1830.269 where: short stacking energy: -782.344 Base-Backbone interact. energy: -0.538 local terms energy: -876.182538 where: bonds (distance) C4'-P energy: -167.662 bonds (distance) P-C4' energy: -186.295 flat angles C4'-P-C4' energy: -196.428 flat angles P-C4'-P energy: -120.443 tors. eta vs tors. theta energy: -205.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2501.845249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.845249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.845249 (E_RNA) where: Base-Base interactions energy: -1701.461 where: short stacking energy: -779.769 Base-Backbone interact. energy: 2.074 local terms energy: -802.459030 where: bonds (distance) C4'-P energy: -163.549 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -174.461 flat angles P-C4'-P energy: -121.273 tors. eta vs tors. theta energy: -191.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2311.938529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.938529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.938529 (E_RNA) where: Base-Base interactions energy: -1480.792 where: short stacking energy: -691.286 Base-Backbone interact. energy: 1.032 local terms energy: -832.178446 where: bonds (distance) C4'-P energy: -170.862 bonds (distance) P-C4' energy: -164.352 flat angles C4'-P-C4' energy: -187.316 flat angles P-C4'-P energy: -123.046 tors. eta vs tors. theta energy: -186.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2178.467167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.467167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.467167 (E_RNA) where: Base-Base interactions energy: -1422.824 where: short stacking energy: -616.289 Base-Backbone interact. energy: -3.261 local terms energy: -752.382213 where: bonds (distance) C4'-P energy: -160.009 bonds (distance) P-C4' energy: -174.511 flat angles C4'-P-C4' energy: -170.613 flat angles P-C4'-P energy: -103.830 tors. eta vs tors. theta energy: -143.418 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: 84 Temperature: 1.150000 Total energy: -1776.463976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.463976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.463976 (E_RNA) where: Base-Base interactions energy: -1109.697 where: short stacking energy: -540.986 Base-Backbone interact. energy: 2.305 local terms energy: -669.071991 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -158.439 flat angles C4'-P-C4' energy: -151.148 flat angles P-C4'-P energy: -105.180 tors. eta vs tors. theta energy: -101.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1636.997094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.997094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.997094 (E_RNA) where: Base-Base interactions energy: -1001.796 where: short stacking energy: -509.835 Base-Backbone interact. energy: -0.307 local terms energy: -634.893715 where: bonds (distance) C4'-P energy: -138.489 bonds (distance) P-C4' energy: -145.357 flat angles C4'-P-C4' energy: -153.580 flat angles P-C4'-P energy: -112.714 tors. eta vs tors. theta energy: -84.754 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: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1539.635305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.635305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.635305 (E_RNA) where: Base-Base interactions energy: -964.709 where: short stacking energy: -473.732 Base-Backbone interact. energy: 6.025 local terms energy: -580.951820 where: bonds (distance) C4'-P energy: -123.572 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -143.813 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: -73.120 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: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1372.280980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.280980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.280980 (E_RNA) where: Base-Base interactions energy: -796.800 where: short stacking energy: -378.734 Base-Backbone interact. energy: -1.451 local terms energy: -574.030726 where: bonds (distance) C4'-P energy: -147.377 bonds (distance) P-C4' energy: -168.779 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -44.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -943.357654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.357654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.357654 (E_RNA) where: Base-Base interactions energy: -477.321 where: short stacking energy: -273.351 Base-Backbone interact. energy: 5.361 local terms energy: -471.398036 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -135.944 flat angles C4'-P-C4' energy: -118.796 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -24.988 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: 85 Temperature: 0.900000 Total energy: -2984.968259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.968259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.968259 (E_RNA) where: Base-Base interactions energy: -2011.675 where: short stacking energy: -939.700 Base-Backbone interact. energy: -2.327 local terms energy: -970.966816 where: bonds (distance) C4'-P energy: -163.279 bonds (distance) P-C4' energy: -175.667 flat angles C4'-P-C4' energy: -197.507 flat angles P-C4'-P energy: -160.709 tors. eta vs tors. theta energy: -273.805 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: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2782.492579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.492579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.492579 (E_RNA) where: Base-Base interactions energy: -1912.757 where: short stacking energy: -821.148 Base-Backbone interact. energy: -0.693 local terms energy: -869.043394 where: bonds (distance) C4'-P energy: -167.463 bonds (distance) P-C4' energy: -166.894 flat angles C4'-P-C4' energy: -189.377 flat angles P-C4'-P energy: -120.262 tors. eta vs tors. theta energy: -225.048 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: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2501.938509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.938509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.938509 (E_RNA) where: Base-Base interactions energy: -1630.760 where: short stacking energy: -737.183 Base-Backbone interact. energy: -1.949 local terms energy: -869.229829 where: bonds (distance) C4'-P energy: -163.697 bonds (distance) P-C4' energy: -177.737 flat angles C4'-P-C4' energy: -206.003 flat angles P-C4'-P energy: -129.977 tors. eta vs tors. theta energy: -191.816 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: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2279.576009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.576009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.576009 (E_RNA) where: Base-Base interactions energy: -1459.364 where: short stacking energy: -705.815 Base-Backbone interact. energy: 1.267 local terms energy: -821.479591 where: bonds (distance) C4'-P energy: -166.807 bonds (distance) P-C4' energy: -170.019 flat angles C4'-P-C4' energy: -178.304 flat angles P-C4'-P energy: -122.567 tors. eta vs tors. theta energy: -183.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2106.240946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.240946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.240946 (E_RNA) where: Base-Base interactions energy: -1362.280 where: short stacking energy: -602.031 Base-Backbone interact. energy: -2.087 local terms energy: -741.873172 where: bonds (distance) C4'-P energy: -151.408 bonds (distance) P-C4' energy: -181.258 flat angles C4'-P-C4' energy: -171.276 flat angles P-C4'-P energy: -111.459 tors. eta vs tors. theta energy: -126.472 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: 85 Temperature: 1.150000 Total energy: -1754.740694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.740694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.740694 (E_RNA) where: Base-Base interactions energy: -1081.696 where: short stacking energy: -513.493 Base-Backbone interact. energy: 2.207 local terms energy: -675.251214 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -176.977 flat angles C4'-P-C4' energy: -162.785 flat angles P-C4'-P energy: -101.005 tors. eta vs tors. theta energy: -88.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1598.771164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.771164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.771164 (E_RNA) where: Base-Base interactions energy: -991.356 where: short stacking energy: -459.763 Base-Backbone interact. energy: -0.587 local terms energy: -606.827543 where: bonds (distance) C4'-P energy: -151.508 bonds (distance) P-C4' energy: -145.896 flat angles C4'-P-C4' energy: -135.854 flat angles P-C4'-P energy: -110.053 tors. eta vs tors. theta energy: -63.516 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: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1346.444395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.444395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.444395 (E_RNA) where: Base-Base interactions energy: -784.061 where: short stacking energy: -370.237 Base-Backbone interact. energy: 0.785 local terms energy: -563.168022 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -136.985 flat angles C4'-P-C4' energy: -146.998 flat angles P-C4'-P energy: -87.790 tors. eta vs tors. theta energy: -60.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1374.407890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.407890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.407890 (E_RNA) where: Base-Base interactions energy: -821.203 where: short stacking energy: -374.932 Base-Backbone interact. energy: -3.059 local terms energy: -550.146056 where: bonds (distance) C4'-P energy: -147.377 bonds (distance) P-C4' energy: -151.624 flat angles C4'-P-C4' energy: -138.103 flat angles P-C4'-P energy: -81.811 tors. eta vs tors. theta energy: -31.231 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: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -909.447045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.447045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.447045 (E_RNA) where: Base-Base interactions energy: -454.094 where: short stacking energy: -265.096 Base-Backbone interact. energy: -2.464 local terms energy: -452.889138 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -123.246 flat angles C4'-P-C4' energy: -107.217 flat angles P-C4'-P energy: -60.762 tors. eta vs tors. theta energy: -8.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2993.111942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.111942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.111942 (E_RNA) where: Base-Base interactions energy: -2027.176 where: short stacking energy: -927.952 Base-Backbone interact. energy: -2.560 local terms energy: -963.376216 where: bonds (distance) C4'-P energy: -175.881 bonds (distance) P-C4' energy: -175.271 flat angles C4'-P-C4' energy: -208.058 flat angles P-C4'-P energy: -143.061 tors. eta vs tors. theta energy: -261.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2808.431679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.431679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.431679 (E_RNA) where: Base-Base interactions energy: -1905.519 where: short stacking energy: -801.851 Base-Backbone interact. energy: -4.403 local terms energy: -898.510116 where: bonds (distance) C4'-P energy: -165.502 bonds (distance) P-C4' energy: -159.458 flat angles C4'-P-C4' energy: -204.209 flat angles P-C4'-P energy: -141.818 tors. eta vs tors. theta energy: -227.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2514.664773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.664773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.664773 (E_RNA) where: Base-Base interactions energy: -1675.366 where: short stacking energy: -757.794 Base-Backbone interact. energy: -0.831 local terms energy: -838.468106 where: bonds (distance) C4'-P energy: -159.601 bonds (distance) P-C4' energy: -183.023 flat angles C4'-P-C4' energy: -185.549 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -199.692 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: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2255.413613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.413613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.413613 (E_RNA) where: Base-Base interactions energy: -1474.758 where: short stacking energy: -702.490 Base-Backbone interact. energy: -1.701 local terms energy: -778.953917 where: bonds (distance) C4'-P energy: -150.881 bonds (distance) P-C4' energy: -167.437 flat angles C4'-P-C4' energy: -183.697 flat angles P-C4'-P energy: -108.136 tors. eta vs tors. theta energy: -168.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2042.528101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.528101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.528101 (E_RNA) where: Base-Base interactions energy: -1336.775 where: short stacking energy: -601.566 Base-Backbone interact. energy: 1.860 local terms energy: -707.612815 where: bonds (distance) C4'-P energy: -140.726 bonds (distance) P-C4' energy: -156.616 flat angles C4'-P-C4' energy: -169.802 flat angles P-C4'-P energy: -116.540 tors. eta vs tors. theta energy: -123.930 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: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1729.827921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.827921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.827921 (E_RNA) where: Base-Base interactions energy: -1024.969 where: short stacking energy: -518.482 Base-Backbone interact. energy: -3.383 local terms energy: -701.476056 where: bonds (distance) C4'-P energy: -173.875 bonds (distance) P-C4' energy: -169.869 flat angles C4'-P-C4' energy: -154.609 flat angles P-C4'-P energy: -94.924 tors. eta vs tors. theta energy: -108.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1608.550544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.550544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.550544 (E_RNA) where: Base-Base interactions energy: -1011.307 where: short stacking energy: -505.588 Base-Backbone interact. energy: -0.300 local terms energy: -596.943854 where: bonds (distance) C4'-P energy: -103.778 bonds (distance) P-C4' energy: -162.718 flat angles C4'-P-C4' energy: -149.826 flat angles P-C4'-P energy: -102.452 tors. eta vs tors. theta energy: -78.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1360.106015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.106015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.106015 (E_RNA) where: Base-Base interactions energy: -779.817 where: short stacking energy: -378.585 Base-Backbone interact. energy: -2.196 local terms energy: -578.093200 where: bonds (distance) C4'-P energy: -144.385 bonds (distance) P-C4' energy: -151.673 flat angles C4'-P-C4' energy: -143.012 flat angles P-C4'-P energy: -103.369 tors. eta vs tors. theta energy: -35.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1434.442261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.442261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.442261 (E_RNA) where: Base-Base interactions energy: -865.336 where: short stacking energy: -407.240 Base-Backbone interact. energy: 3.349 local terms energy: -572.455009 where: bonds (distance) C4'-P energy: -139.618 bonds (distance) P-C4' energy: -150.442 flat angles C4'-P-C4' energy: -131.270 flat angles P-C4'-P energy: -81.408 tors. eta vs tors. theta energy: -69.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -982.466406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.466406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.466406 (E_RNA) where: Base-Base interactions energy: -512.881 where: short stacking energy: -264.595 Base-Backbone interact. energy: -0.819 local terms energy: -468.766517 where: bonds (distance) C4'-P energy: -144.744 bonds (distance) P-C4' energy: -144.172 flat angles C4'-P-C4' energy: -121.335 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: 5.362 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: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2991.234726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.234726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.234726 (E_RNA) where: Base-Base interactions energy: -1998.963 where: short stacking energy: -937.942 Base-Backbone interact. energy: -4.693 local terms energy: -987.578192 where: bonds (distance) C4'-P energy: -183.366 bonds (distance) P-C4' energy: -178.576 flat angles C4'-P-C4' energy: -217.240 flat angles P-C4'-P energy: -143.839 tors. eta vs tors. theta energy: -264.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2786.279392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.279392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.279392 (E_RNA) where: Base-Base interactions energy: -1877.929 where: short stacking energy: -814.957 Base-Backbone interact. energy: -5.501 local terms energy: -902.849463 where: bonds (distance) C4'-P energy: -173.491 bonds (distance) P-C4' energy: -178.824 flat angles C4'-P-C4' energy: -190.629 flat angles P-C4'-P energy: -136.911 tors. eta vs tors. theta energy: -222.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2479.623801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.623801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.623801 (E_RNA) where: Base-Base interactions energy: -1636.961 where: short stacking energy: -758.213 Base-Backbone interact. energy: -6.641 local terms energy: -836.022089 where: bonds (distance) C4'-P energy: -166.137 bonds (distance) P-C4' energy: -182.390 flat angles C4'-P-C4' energy: -186.807 flat angles P-C4'-P energy: -110.672 tors. eta vs tors. theta energy: -190.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2221.906009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.906009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.906009 (E_RNA) where: Base-Base interactions energy: -1407.042 where: short stacking energy: -676.005 Base-Backbone interact. energy: -1.388 local terms energy: -813.476243 where: bonds (distance) C4'-P energy: -172.882 bonds (distance) P-C4' energy: -176.009 flat angles C4'-P-C4' energy: -175.238 flat angles P-C4'-P energy: -119.469 tors. eta vs tors. theta energy: -169.877 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: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2034.316969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.316969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.316969 (E_RNA) where: Base-Base interactions energy: -1303.373 where: short stacking energy: -617.735 Base-Backbone interact. energy: 2.134 local terms energy: -733.077518 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -188.404 flat angles C4'-P-C4' energy: -173.772 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -151.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1766.825908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.825908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.825908 (E_RNA) where: Base-Base interactions energy: -1088.030 where: short stacking energy: -518.070 Base-Backbone interact. energy: 3.838 local terms energy: -682.633780 where: bonds (distance) C4'-P energy: -139.008 bonds (distance) P-C4' energy: -170.561 flat angles C4'-P-C4' energy: -171.853 flat angles P-C4'-P energy: -91.280 tors. eta vs tors. theta energy: -109.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1589.161883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.161883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.161883 (E_RNA) where: Base-Base interactions energy: -947.159 where: short stacking energy: -472.926 Base-Backbone interact. energy: -0.973 local terms energy: -641.030032 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -162.881 flat angles C4'-P-C4' energy: -151.712 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -89.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1431.424915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.424915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.424915 (E_RNA) where: Base-Base interactions energy: -835.505 where: short stacking energy: -410.874 Base-Backbone interact. energy: -0.810 local terms energy: -595.110213 where: bonds (distance) C4'-P energy: -166.914 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -138.264 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -56.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1306.970681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.970681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.970681 (E_RNA) where: Base-Base interactions energy: -782.131 where: short stacking energy: -395.521 Base-Backbone interact. energy: 1.852 local terms energy: -526.692002 where: bonds (distance) C4'-P energy: -145.169 bonds (distance) P-C4' energy: -138.108 flat angles C4'-P-C4' energy: -145.317 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -20.724 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: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1008.910345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.910345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.910345 (E_RNA) where: Base-Base interactions energy: -529.293 where: short stacking energy: -306.266 Base-Backbone interact. energy: 6.477 local terms energy: -486.094555 where: bonds (distance) C4'-P energy: -127.330 bonds (distance) P-C4' energy: -143.485 flat angles C4'-P-C4' energy: -144.029 flat angles P-C4'-P energy: -62.410 tors. eta vs tors. theta energy: -8.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2970.526586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.526586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.526586 (E_RNA) where: Base-Base interactions energy: -2031.212 where: short stacking energy: -917.140 Base-Backbone interact. energy: 1.059 local terms energy: -940.373439 where: bonds (distance) C4'-P energy: -160.642 bonds (distance) P-C4' energy: -177.087 flat angles C4'-P-C4' energy: -199.299 flat angles P-C4'-P energy: -137.638 tors. eta vs tors. theta energy: -265.708 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: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2758.103642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.103642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.103642 (E_RNA) where: Base-Base interactions energy: -1899.823 where: short stacking energy: -818.280 Base-Backbone interact. energy: -1.271 local terms energy: -857.009787 where: bonds (distance) C4'-P energy: -143.740 bonds (distance) P-C4' energy: -180.944 flat angles C4'-P-C4' energy: -194.725 flat angles P-C4'-P energy: -133.665 tors. eta vs tors. theta energy: -203.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2518.039629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.039629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.039629 (E_RNA) where: Base-Base interactions energy: -1646.398 where: short stacking energy: -749.845 Base-Backbone interact. energy: -3.342 local terms energy: -868.299487 where: bonds (distance) C4'-P energy: -174.227 bonds (distance) P-C4' energy: -164.829 flat angles C4'-P-C4' energy: -189.409 flat angles P-C4'-P energy: -142.729 tors. eta vs tors. theta energy: -197.104 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: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2247.841066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.841066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.841066 (E_RNA) where: Base-Base interactions energy: -1462.851 where: short stacking energy: -695.570 Base-Backbone interact. energy: 0.783 local terms energy: -785.772782 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -175.522 flat angles C4'-P-C4' energy: -180.715 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -168.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2005.274945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.274945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.274945 (E_RNA) where: Base-Base interactions energy: -1291.660 where: short stacking energy: -612.416 Base-Backbone interact. energy: -0.102 local terms energy: -713.512958 where: bonds (distance) C4'-P energy: -150.661 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -167.522 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -139.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1851.616431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.616431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.616431 (E_RNA) where: Base-Base interactions energy: -1131.567 where: short stacking energy: -556.152 Base-Backbone interact. energy: -2.652 local terms energy: -717.397890 where: bonds (distance) C4'-P energy: -154.730 bonds (distance) P-C4' energy: -176.171 flat angles C4'-P-C4' energy: -163.793 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: -121.210 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: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1547.243526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.243526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.243526 (E_RNA) where: Base-Base interactions energy: -910.964 where: short stacking energy: -449.694 Base-Backbone interact. energy: 1.815 local terms energy: -638.095051 where: bonds (distance) C4'-P energy: -141.431 bonds (distance) P-C4' energy: -179.718 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -82.804 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: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1498.651529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.651529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.651529 (E_RNA) where: Base-Base interactions energy: -905.116 where: short stacking energy: -438.966 Base-Backbone interact. energy: 0.178 local terms energy: -593.713163 where: bonds (distance) C4'-P energy: -146.584 bonds (distance) P-C4' energy: -158.883 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -86.672 tors. eta vs tors. theta energy: -62.271 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: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1309.235863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.235863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.235863 (E_RNA) where: Base-Base interactions energy: -744.353 where: short stacking energy: -366.354 Base-Backbone interact. energy: 2.143 local terms energy: -567.025984 where: bonds (distance) C4'-P energy: -134.695 bonds (distance) P-C4' energy: -137.376 flat angles C4'-P-C4' energy: -136.630 flat angles P-C4'-P energy: -103.938 tors. eta vs tors. theta energy: -54.387 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: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -982.289042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.289042 (E_RNA) where: Base-Base interactions energy: -486.324 where: short stacking energy: -276.435 Base-Backbone interact. energy: -3.531 local terms energy: -492.434374 where: bonds (distance) C4'-P energy: -147.501 bonds (distance) P-C4' energy: -143.144 flat angles C4'-P-C4' energy: -127.048 flat angles P-C4'-P energy: -72.337 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3001.863134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.863134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.863134 (E_RNA) where: Base-Base interactions energy: -2041.847 where: short stacking energy: -919.447 Base-Backbone interact. energy: -0.926 local terms energy: -959.089971 where: bonds (distance) C4'-P energy: -166.677 bonds (distance) P-C4' energy: -187.170 flat angles C4'-P-C4' energy: -195.577 flat angles P-C4'-P energy: -139.956 tors. eta vs tors. theta energy: -269.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2728.874519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.874519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.874519 (E_RNA) where: Base-Base interactions energy: -1839.890 where: short stacking energy: -799.734 Base-Backbone interact. energy: -1.991 local terms energy: -886.993279 where: bonds (distance) C4'-P energy: -158.400 bonds (distance) P-C4' energy: -178.266 flat angles C4'-P-C4' energy: -204.526 flat angles P-C4'-P energy: -133.386 tors. eta vs tors. theta energy: -212.415 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: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2489.971010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.971010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.971010 (E_RNA) where: Base-Base interactions energy: -1641.247 where: short stacking energy: -742.558 Base-Backbone interact. energy: 3.570 local terms energy: -852.293197 where: bonds (distance) C4'-P energy: -173.821 bonds (distance) P-C4' energy: -183.431 flat angles C4'-P-C4' energy: -195.691 flat angles P-C4'-P energy: -110.692 tors. eta vs tors. theta energy: -188.657 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: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2225.209948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.209948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.209948 (E_RNA) where: Base-Base interactions energy: -1445.019 where: short stacking energy: -665.335 Base-Backbone interact. energy: 0.864 local terms energy: -781.055064 where: bonds (distance) C4'-P energy: -176.927 bonds (distance) P-C4' energy: -161.992 flat angles C4'-P-C4' energy: -180.181 flat angles P-C4'-P energy: -107.232 tors. eta vs tors. theta energy: -154.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1959.265294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.265294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.265294 (E_RNA) where: Base-Base interactions energy: -1263.334 where: short stacking energy: -586.792 Base-Backbone interact. energy: -2.757 local terms energy: -693.173974 where: bonds (distance) C4'-P energy: -152.487 bonds (distance) P-C4' energy: -150.052 flat angles C4'-P-C4' energy: -168.284 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -120.675 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: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1817.051367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.051367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.051367 (E_RNA) where: Base-Base interactions energy: -1152.977 where: short stacking energy: -538.467 Base-Backbone interact. energy: -2.826 local terms energy: -661.248124 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -150.089 flat angles C4'-P-C4' energy: -164.074 flat angles P-C4'-P energy: -99.564 tors. eta vs tors. theta energy: -106.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1492.914245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.914245 (E_RNA) where: Base-Base interactions energy: -863.600 where: short stacking energy: -412.505 Base-Backbone interact. energy: 2.203 local terms energy: -631.516899 where: bonds (distance) C4'-P energy: -158.062 bonds (distance) P-C4' energy: -165.278 flat angles C4'-P-C4' energy: -163.635 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -57.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1467.491014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.491014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.491014 (E_RNA) where: Base-Base interactions energy: -859.626 where: short stacking energy: -445.514 Base-Backbone interact. energy: 0.511 local terms energy: -608.376071 where: bonds (distance) C4'-P energy: -136.736 bonds (distance) P-C4' energy: -157.910 flat angles C4'-P-C4' energy: -128.671 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -83.390 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: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1200.618995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.618995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.618995 (E_RNA) where: Base-Base interactions energy: -654.960 where: short stacking energy: -336.308 Base-Backbone interact. energy: -2.204 local terms energy: -543.454896 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -148.265 flat angles C4'-P-C4' energy: -141.233 flat angles P-C4'-P energy: -79.716 tors. eta vs tors. theta energy: -22.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -949.575499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.575499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.575499 (E_RNA) where: Base-Base interactions energy: -466.497 where: short stacking energy: -262.637 Base-Backbone interact. energy: 7.730 local terms energy: -490.808200 where: bonds (distance) C4'-P energy: -141.540 bonds (distance) P-C4' energy: -149.875 flat angles C4'-P-C4' energy: -134.204 flat angles P-C4'-P energy: -73.895 tors. eta vs tors. theta energy: 8.706 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: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2996.312833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.312833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.312833 (E_RNA) where: Base-Base interactions energy: -2044.549 where: short stacking energy: -937.391 Base-Backbone interact. energy: -3.114 local terms energy: -948.649875 where: bonds (distance) C4'-P energy: -170.183 bonds (distance) P-C4' energy: -178.252 flat angles C4'-P-C4' energy: -206.499 flat angles P-C4'-P energy: -124.316 tors. eta vs tors. theta energy: -269.400 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: 90 Temperature: 0.950000 Total energy: -2737.953110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.953110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.953110 (E_RNA) where: Base-Base interactions energy: -1861.405 where: short stacking energy: -815.205 Base-Backbone interact. energy: -3.754 local terms energy: -872.794057 where: bonds (distance) C4'-P energy: -176.705 bonds (distance) P-C4' energy: -166.204 flat angles C4'-P-C4' energy: -195.046 flat angles P-C4'-P energy: -125.848 tors. eta vs tors. theta energy: -208.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2511.574699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.574699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.574699 (E_RNA) where: Base-Base interactions energy: -1667.358 where: short stacking energy: -765.908 Base-Backbone interact. energy: -5.750 local terms energy: -838.467608 where: bonds (distance) C4'-P energy: -158.904 bonds (distance) P-C4' energy: -178.068 flat angles C4'-P-C4' energy: -194.565 flat angles P-C4'-P energy: -119.386 tors. eta vs tors. theta energy: -187.544 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: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2214.112801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.112801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.112801 (E_RNA) where: Base-Base interactions energy: -1471.259 where: short stacking energy: -668.709 Base-Backbone interact. energy: -0.929 local terms energy: -741.924841 where: bonds (distance) C4'-P energy: -165.150 bonds (distance) P-C4' energy: -163.715 flat angles C4'-P-C4' energy: -169.377 flat angles P-C4'-P energy: -78.533 tors. eta vs tors. theta energy: -165.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1848.789410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.789410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.789410 (E_RNA) where: Base-Base interactions energy: -1134.075 where: short stacking energy: -545.423 Base-Backbone interact. energy: 3.452 local terms energy: -718.166991 where: bonds (distance) C4'-P energy: -148.661 bonds (distance) P-C4' energy: -170.066 flat angles C4'-P-C4' energy: -174.788 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -124.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1841.719624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.719624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.719624 (E_RNA) where: Base-Base interactions energy: -1189.415 where: short stacking energy: -531.084 Base-Backbone interact. energy: 2.044 local terms energy: -654.348977 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -158.092 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -97.903 tors. eta vs tors. theta energy: -103.799 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: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1629.189118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.189118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.189118 (E_RNA) where: Base-Base interactions energy: -993.759 where: short stacking energy: -487.933 Base-Backbone interact. energy: -3.321 local terms energy: -632.109585 where: bonds (distance) C4'-P energy: -156.134 bonds (distance) P-C4' energy: -156.652 flat angles C4'-P-C4' energy: -152.453 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -80.485 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: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1340.588348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.588348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.588348 (E_RNA) where: Base-Base interactions energy: -793.887 where: short stacking energy: -415.918 Base-Backbone interact. energy: -2.099 local terms energy: -544.601818 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -142.667 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -52.809 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: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1235.887960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.887960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.887960 (E_RNA) where: Base-Base interactions energy: -689.787 where: short stacking energy: -348.398 Base-Backbone interact. energy: 4.792 local terms energy: -550.892908 where: bonds (distance) C4'-P energy: -149.724 bonds (distance) P-C4' energy: -142.100 flat angles C4'-P-C4' energy: -136.771 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -32.248 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: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -950.515028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.515028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.515028 (E_RNA) where: Base-Base interactions energy: -473.710 where: short stacking energy: -302.782 Base-Backbone interact. energy: 0.847 local terms energy: -477.651830 where: bonds (distance) C4'-P energy: -125.839 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -124.649 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -15.276 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: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2969.713829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.713829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.713829 (E_RNA) where: Base-Base interactions energy: -1997.609 where: short stacking energy: -921.666 Base-Backbone interact. energy: -5.525 local terms energy: -966.579604 where: bonds (distance) C4'-P energy: -175.481 bonds (distance) P-C4' energy: -197.598 flat angles C4'-P-C4' energy: -209.409 flat angles P-C4'-P energy: -144.660 tors. eta vs tors. theta energy: -239.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2740.180813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.180813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.180813 (E_RNA) where: Base-Base interactions energy: -1870.986 where: short stacking energy: -791.476 Base-Backbone interact. energy: -1.248 local terms energy: -867.946367 where: bonds (distance) C4'-P energy: -183.635 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -194.861 flat angles P-C4'-P energy: -126.489 tors. eta vs tors. theta energy: -196.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2519.854521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.854521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.854521 (E_RNA) where: Base-Base interactions energy: -1667.226 where: short stacking energy: -745.174 Base-Backbone interact. energy: -3.978 local terms energy: -848.650445 where: bonds (distance) C4'-P energy: -164.581 bonds (distance) P-C4' energy: -176.591 flat angles C4'-P-C4' energy: -180.754 flat angles P-C4'-P energy: -122.212 tors. eta vs tors. theta energy: -204.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2259.527233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.527233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.527233 (E_RNA) where: Base-Base interactions energy: -1474.752 where: short stacking energy: -694.604 Base-Backbone interact. energy: 6.187 local terms energy: -790.962009 where: bonds (distance) C4'-P energy: -160.674 bonds (distance) P-C4' energy: -162.500 flat angles C4'-P-C4' energy: -186.005 flat angles P-C4'-P energy: -110.892 tors. eta vs tors. theta energy: -170.891 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: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1878.458679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.458679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.458679 (E_RNA) where: Base-Base interactions energy: -1158.699 where: short stacking energy: -603.880 Base-Backbone interact. energy: -1.125 local terms energy: -718.634837 where: bonds (distance) C4'-P energy: -150.583 bonds (distance) P-C4' energy: -165.741 flat angles C4'-P-C4' energy: -174.114 flat angles P-C4'-P energy: -107.868 tors. eta vs tors. theta energy: -120.329 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: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1853.184102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.184102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.184102 (E_RNA) where: Base-Base interactions energy: -1171.645 where: short stacking energy: -535.103 Base-Backbone interact. energy: -2.246 local terms energy: -679.293160 where: bonds (distance) C4'-P energy: -161.868 bonds (distance) P-C4' energy: -154.784 flat angles C4'-P-C4' energy: -164.879 flat angles P-C4'-P energy: -94.667 tors. eta vs tors. theta energy: -103.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1658.242309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.242309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.242309 (E_RNA) where: Base-Base interactions energy: -1003.842 where: short stacking energy: -482.942 Base-Backbone interact. energy: -4.264 local terms energy: -650.136446 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -158.177 flat angles C4'-P-C4' energy: -154.207 flat angles P-C4'-P energy: -88.840 tors. eta vs tors. theta energy: -98.096 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: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1354.898566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.898566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.898566 (E_RNA) where: Base-Base interactions energy: -795.458 where: short stacking energy: -389.615 Base-Backbone interact. energy: -3.726 local terms energy: -555.714367 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -174.178 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -92.529 tors. eta vs tors. theta energy: -41.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1191.916912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.916912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.916912 (E_RNA) where: Base-Base interactions energy: -652.207 where: short stacking energy: -328.874 Base-Backbone interact. energy: -4.299 local terms energy: -535.410756 where: bonds (distance) C4'-P energy: -147.149 bonds (distance) P-C4' energy: -150.429 flat angles C4'-P-C4' energy: -149.432 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -12.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -968.547597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.547597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.547597 (E_RNA) where: Base-Base interactions energy: -470.727 where: short stacking energy: -310.785 Base-Backbone interact. energy: 5.382 local terms energy: -503.202251 where: bonds (distance) C4'-P energy: -129.559 bonds (distance) P-C4' energy: -167.384 flat angles C4'-P-C4' energy: -126.585 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3012.884313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.884313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.884313 (E_RNA) where: Base-Base interactions energy: -2057.065 where: short stacking energy: -945.726 Base-Backbone interact. energy: 1.870 local terms energy: -957.689112 where: bonds (distance) C4'-P energy: -177.848 bonds (distance) P-C4' energy: -162.869 flat angles C4'-P-C4' energy: -217.589 flat angles P-C4'-P energy: -143.731 tors. eta vs tors. theta energy: -255.652 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: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2740.800236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.800236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.800236 (E_RNA) where: Base-Base interactions energy: -1856.153 where: short stacking energy: -804.354 Base-Backbone interact. energy: -4.272 local terms energy: -880.374526 where: bonds (distance) C4'-P energy: -168.699 bonds (distance) P-C4' energy: -175.493 flat angles C4'-P-C4' energy: -191.901 flat angles P-C4'-P energy: -137.705 tors. eta vs tors. theta energy: -206.576 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: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2519.322349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.322349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.322349 (E_RNA) where: Base-Base interactions energy: -1695.019 where: short stacking energy: -779.053 Base-Backbone interact. energy: -4.100 local terms energy: -820.202614 where: bonds (distance) C4'-P energy: -159.751 bonds (distance) P-C4' energy: -173.875 flat angles C4'-P-C4' energy: -180.142 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -189.481 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: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2307.793237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.793237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.793237 (E_RNA) where: Base-Base interactions energy: -1493.179 where: short stacking energy: -671.972 Base-Backbone interact. energy: -3.362 local terms energy: -811.251730 where: bonds (distance) C4'-P energy: -159.966 bonds (distance) P-C4' energy: -195.001 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -111.620 tors. eta vs tors. theta energy: -169.388 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: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1954.134042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.134042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.134042 (E_RNA) where: Base-Base interactions energy: -1219.828 where: short stacking energy: -602.267 Base-Backbone interact. energy: 1.446 local terms energy: -735.751592 where: bonds (distance) C4'-P energy: -153.899 bonds (distance) P-C4' energy: -186.207 flat angles C4'-P-C4' energy: -165.252 flat angles P-C4'-P energy: -97.454 tors. eta vs tors. theta energy: -132.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1813.472301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.472301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.472301 (E_RNA) where: Base-Base interactions energy: -1113.688 where: short stacking energy: -533.590 Base-Backbone interact. energy: 0.211 local terms energy: -699.995423 where: bonds (distance) C4'-P energy: -140.942 bonds (distance) P-C4' energy: -170.191 flat angles C4'-P-C4' energy: -165.368 flat angles P-C4'-P energy: -112.796 tors. eta vs tors. theta energy: -110.699 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: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1663.520623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.520623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.520623 (E_RNA) where: Base-Base interactions energy: -1001.184 where: short stacking energy: -459.311 Base-Backbone interact. energy: 3.502 local terms energy: -665.838683 where: bonds (distance) C4'-P energy: -149.212 bonds (distance) P-C4' energy: -165.643 flat angles C4'-P-C4' energy: -157.077 flat angles P-C4'-P energy: -105.934 tors. eta vs tors. theta energy: -87.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1406.166817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.166817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.166817 (E_RNA) where: Base-Base interactions energy: -845.997 where: short stacking energy: -396.682 Base-Backbone interact. energy: -2.473 local terms energy: -557.696685 where: bonds (distance) C4'-P energy: -148.958 bonds (distance) P-C4' energy: -149.814 flat angles C4'-P-C4' energy: -135.248 flat angles P-C4'-P energy: -82.794 tors. eta vs tors. theta energy: -40.883 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: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1082.113856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.113856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.113856 (E_RNA) where: Base-Base interactions energy: -587.132 where: short stacking energy: -322.700 Base-Backbone interact. energy: 7.202 local terms energy: -502.183664 where: bonds (distance) C4'-P energy: -134.019 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -123.588 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -927.305272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.305272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.305272 (E_RNA) where: Base-Base interactions energy: -470.232 where: short stacking energy: -257.178 Base-Backbone interact. energy: 4.248 local terms energy: -461.320498 where: bonds (distance) C4'-P energy: -156.871 bonds (distance) P-C4' energy: -140.215 flat angles C4'-P-C4' energy: -114.272 flat angles P-C4'-P energy: -62.068 tors. eta vs tors. theta energy: 12.106 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: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3006.851767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.851767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.851767 (E_RNA) where: Base-Base interactions energy: -2064.371 where: short stacking energy: -969.380 Base-Backbone interact. energy: -3.390 local terms energy: -939.091293 where: bonds (distance) C4'-P energy: -167.203 bonds (distance) P-C4' energy: -167.594 flat angles C4'-P-C4' energy: -206.782 flat angles P-C4'-P energy: -129.908 tors. eta vs tors. theta energy: -267.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2720.822379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.822379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.822379 (E_RNA) where: Base-Base interactions energy: -1825.719 where: short stacking energy: -798.201 Base-Backbone interact. energy: -2.501 local terms energy: -892.602407 where: bonds (distance) C4'-P energy: -175.931 bonds (distance) P-C4' energy: -173.672 flat angles C4'-P-C4' energy: -192.560 flat angles P-C4'-P energy: -137.777 tors. eta vs tors. theta energy: -212.663 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: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2534.412244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.412244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.412244 (E_RNA) where: Base-Base interactions energy: -1674.446 where: short stacking energy: -777.923 Base-Backbone interact. energy: -2.441 local terms energy: -857.525228 where: bonds (distance) C4'-P energy: -174.354 bonds (distance) P-C4' energy: -169.832 flat angles C4'-P-C4' energy: -186.992 flat angles P-C4'-P energy: -117.930 tors. eta vs tors. theta energy: -208.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2251.481758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.481758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.481758 (E_RNA) where: Base-Base interactions energy: -1457.097 where: short stacking energy: -652.312 Base-Backbone interact. energy: -0.055 local terms energy: -794.329551 where: bonds (distance) C4'-P energy: -169.804 bonds (distance) P-C4' energy: -164.230 flat angles C4'-P-C4' energy: -167.546 flat angles P-C4'-P energy: -124.234 tors. eta vs tors. theta energy: -168.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1976.255913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.255913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.255913 (E_RNA) where: Base-Base interactions energy: -1244.755 where: short stacking energy: -609.179 Base-Backbone interact. energy: -3.587 local terms energy: -727.914346 where: bonds (distance) C4'-P energy: -158.005 bonds (distance) P-C4' energy: -154.934 flat angles C4'-P-C4' energy: -180.197 flat angles P-C4'-P energy: -103.335 tors. eta vs tors. theta energy: -131.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1728.252531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.252531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.252531 (E_RNA) where: Base-Base interactions energy: -1069.046 where: short stacking energy: -491.257 Base-Backbone interact. energy: -2.054 local terms energy: -657.152199 where: bonds (distance) C4'-P energy: -150.301 bonds (distance) P-C4' energy: -162.514 flat angles C4'-P-C4' energy: -159.663 flat angles P-C4'-P energy: -93.451 tors. eta vs tors. theta energy: -91.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1636.489518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.489518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.489518 (E_RNA) where: Base-Base interactions energy: -1029.723 where: short stacking energy: -490.187 Base-Backbone interact. energy: 2.613 local terms energy: -609.379604 where: bonds (distance) C4'-P energy: -139.547 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -145.538 flat angles P-C4'-P energy: -95.325 tors. eta vs tors. theta energy: -87.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1384.975582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.975582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.975582 (E_RNA) where: Base-Base interactions energy: -814.266 where: short stacking energy: -406.505 Base-Backbone interact. energy: 5.671 local terms energy: -576.379964 where: bonds (distance) C4'-P energy: -140.015 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -134.016 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -52.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1021.491752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.491752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.491752 (E_RNA) where: Base-Base interactions energy: -535.893 where: short stacking energy: -314.792 Base-Backbone interact. energy: 4.048 local terms energy: -489.646950 where: bonds (distance) C4'-P energy: -134.963 bonds (distance) P-C4' energy: -154.269 flat angles C4'-P-C4' energy: -121.549 flat angles P-C4'-P energy: -81.745 tors. eta vs tors. theta energy: 2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -965.062449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.062449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.062449 (E_RNA) where: Base-Base interactions energy: -506.686 where: short stacking energy: -306.360 Base-Backbone interact. energy: -1.139 local terms energy: -457.237014 where: bonds (distance) C4'-P energy: -140.377 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -97.505 flat angles P-C4'-P energy: -82.434 tors. eta vs tors. theta energy: -9.857 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: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2984.473008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.473008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.473008 (E_RNA) where: Base-Base interactions energy: -2011.741 where: short stacking energy: -921.734 Base-Backbone interact. energy: -4.056 local terms energy: -968.676650 where: bonds (distance) C4'-P energy: -191.462 bonds (distance) P-C4' energy: -178.498 flat angles C4'-P-C4' energy: -197.516 flat angles P-C4'-P energy: -140.074 tors. eta vs tors. theta energy: -261.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2764.016510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.016510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.016510 (E_RNA) where: Base-Base interactions energy: -1875.408 where: short stacking energy: -844.662 Base-Backbone interact. energy: -4.188 local terms energy: -884.420456 where: bonds (distance) C4'-P energy: -173.456 bonds (distance) P-C4' energy: -175.431 flat angles C4'-P-C4' energy: -194.481 flat angles P-C4'-P energy: -121.554 tors. eta vs tors. theta energy: -219.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2546.836531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.836531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.836531 (E_RNA) where: Base-Base interactions energy: -1672.683 where: short stacking energy: -776.648 Base-Backbone interact. energy: -0.356 local terms energy: -873.797137 where: bonds (distance) C4'-P energy: -160.508 bonds (distance) P-C4' energy: -178.832 flat angles C4'-P-C4' energy: -180.140 flat angles P-C4'-P energy: -139.946 tors. eta vs tors. theta energy: -214.370 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2261.750476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.750476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.750476 (E_RNA) where: Base-Base interactions energy: -1483.555 where: short stacking energy: -641.061 Base-Backbone interact. energy: -1.184 local terms energy: -777.011191 where: bonds (distance) C4'-P energy: -164.270 bonds (distance) P-C4' energy: -166.281 flat angles C4'-P-C4' energy: -179.795 flat angles P-C4'-P energy: -117.224 tors. eta vs tors. theta energy: -149.441 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2031.941026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.941026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.941026 (E_RNA) where: Base-Base interactions energy: -1312.868 where: short stacking energy: -628.957 Base-Backbone interact. energy: -5.754 local terms energy: -713.318665 where: bonds (distance) C4'-P energy: -145.684 bonds (distance) P-C4' energy: -153.430 flat angles C4'-P-C4' energy: -172.603 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -137.144 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: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1804.054576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.054576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.054576 (E_RNA) where: Base-Base interactions energy: -1107.581 where: short stacking energy: -526.441 Base-Backbone interact. energy: 0.281 local terms energy: -696.755157 where: bonds (distance) C4'-P energy: -153.850 bonds (distance) P-C4' energy: -181.079 flat angles C4'-P-C4' energy: -150.733 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -102.784 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: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1685.077394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.077394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.077394 (E_RNA) where: Base-Base interactions energy: -1037.926 where: short stacking energy: -485.785 Base-Backbone interact. energy: -1.968 local terms energy: -645.182991 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -145.948 flat angles C4'-P-C4' energy: -154.783 flat angles P-C4'-P energy: -101.443 tors. eta vs tors. theta energy: -98.075 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: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1366.417642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.417642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.417642 (E_RNA) where: Base-Base interactions energy: -767.374 where: short stacking energy: -428.800 Base-Backbone interact. energy: -3.985 local terms energy: -595.058725 where: bonds (distance) C4'-P energy: -139.317 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -158.571 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -43.462 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: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -996.958824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.958824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.958824 (E_RNA) where: Base-Base interactions energy: -509.595 where: short stacking energy: -293.707 Base-Backbone interact. energy: -0.817 local terms energy: -486.546130 where: bonds (distance) C4'-P energy: -138.815 bonds (distance) P-C4' energy: -138.309 flat angles C4'-P-C4' energy: -130.735 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -8.431 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: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -813.337159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.337159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.337159 (E_RNA) where: Base-Base interactions energy: -370.667 where: short stacking energy: -237.817 Base-Backbone interact. energy: -1.946 local terms energy: -440.724017 where: bonds (distance) C4'-P energy: -137.550 bonds (distance) P-C4' energy: -133.640 flat angles C4'-P-C4' energy: -113.054 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: 17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3004.626230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.626230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.626230 (E_RNA) where: Base-Base interactions energy: -2035.536 where: short stacking energy: -933.422 Base-Backbone interact. energy: -1.270 local terms energy: -967.820070 where: bonds (distance) C4'-P energy: -187.365 bonds (distance) P-C4' energy: -181.218 flat angles C4'-P-C4' energy: -200.304 flat angles P-C4'-P energy: -126.767 tors. eta vs tors. theta energy: -272.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2784.761021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.761021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.761021 (E_RNA) where: Base-Base interactions energy: -1875.680 where: short stacking energy: -817.043 Base-Backbone interact. energy: -1.304 local terms energy: -907.777105 where: bonds (distance) C4'-P energy: -173.504 bonds (distance) P-C4' energy: -180.484 flat angles C4'-P-C4' energy: -191.675 flat angles P-C4'-P energy: -134.369 tors. eta vs tors. theta energy: -227.745 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: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2571.000127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.000127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.000127 (E_RNA) where: Base-Base interactions energy: -1701.354 where: short stacking energy: -792.971 Base-Backbone interact. energy: -2.742 local terms energy: -866.903713 where: bonds (distance) C4'-P energy: -170.875 bonds (distance) P-C4' energy: -163.661 flat angles C4'-P-C4' energy: -194.834 flat angles P-C4'-P energy: -130.134 tors. eta vs tors. theta energy: -207.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2284.674662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.674662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.674662 (E_RNA) where: Base-Base interactions energy: -1442.469 where: short stacking energy: -710.529 Base-Backbone interact. energy: -2.114 local terms energy: -840.091869 where: bonds (distance) C4'-P energy: -180.561 bonds (distance) P-C4' energy: -160.570 flat angles C4'-P-C4' energy: -185.773 flat angles P-C4'-P energy: -121.632 tors. eta vs tors. theta energy: -191.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2056.830621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.830621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.830621 (E_RNA) where: Base-Base interactions energy: -1308.520 where: short stacking energy: -591.329 Base-Backbone interact. energy: -0.657 local terms energy: -747.653615 where: bonds (distance) C4'-P energy: -166.677 bonds (distance) P-C4' energy: -154.453 flat angles C4'-P-C4' energy: -174.311 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -144.038 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: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1844.496764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.496764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.496764 (E_RNA) where: Base-Base interactions energy: -1137.198 where: short stacking energy: -508.266 Base-Backbone interact. energy: -0.591 local terms energy: -706.708598 where: bonds (distance) C4'-P energy: -159.807 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -155.541 flat angles P-C4'-P energy: -112.109 tors. eta vs tors. theta energy: -117.404 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: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1709.515788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.515788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.515788 (E_RNA) where: Base-Base interactions energy: -1030.672 where: short stacking energy: -481.350 Base-Backbone interact. energy: -1.599 local terms energy: -677.245252 where: bonds (distance) C4'-P energy: -158.619 bonds (distance) P-C4' energy: -160.536 flat angles C4'-P-C4' energy: -154.807 flat angles P-C4'-P energy: -97.021 tors. eta vs tors. theta energy: -106.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1317.729872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.729872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.729872 (E_RNA) where: Base-Base interactions energy: -721.086 where: short stacking energy: -401.278 Base-Backbone interact. energy: 1.747 local terms energy: -598.390808 where: bonds (distance) C4'-P energy: -147.071 bonds (distance) P-C4' energy: -153.680 flat angles C4'-P-C4' energy: -148.854 flat angles P-C4'-P energy: -95.068 tors. eta vs tors. theta energy: -53.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1003.860211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.860211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.860211 (E_RNA) where: Base-Base interactions energy: -504.387 where: short stacking energy: -285.093 Base-Backbone interact. energy: -1.978 local terms energy: -497.495795 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -140.800 flat angles C4'-P-C4' energy: -143.004 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -874.386869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.386869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.386869 (E_RNA) where: Base-Base interactions energy: -398.082 where: short stacking energy: -240.070 Base-Backbone interact. energy: -0.905 local terms energy: -475.399962 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -126.888 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: 15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2978.441863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.441863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.441863 (E_RNA) where: Base-Base interactions energy: -2007.927 where: short stacking energy: -906.508 Base-Backbone interact. energy: 0.709 local terms energy: -971.224012 where: bonds (distance) C4'-P energy: -195.152 bonds (distance) P-C4' energy: -173.859 flat angles C4'-P-C4' energy: -196.766 flat angles P-C4'-P energy: -148.502 tors. eta vs tors. theta energy: -256.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2772.330134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.330134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.330134 (E_RNA) where: Base-Base interactions energy: -1886.064 where: short stacking energy: -791.105 Base-Backbone interact. energy: -0.225 local terms energy: -886.041026 where: bonds (distance) C4'-P energy: -169.282 bonds (distance) P-C4' energy: -194.268 flat angles C4'-P-C4' energy: -195.161 flat angles P-C4'-P energy: -117.150 tors. eta vs tors. theta energy: -210.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2545.573141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.573141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.573141 (E_RNA) where: Base-Base interactions energy: -1676.515 where: short stacking energy: -811.239 Base-Backbone interact. energy: -3.022 local terms energy: -866.035910 where: bonds (distance) C4'-P energy: -170.021 bonds (distance) P-C4' energy: -174.819 flat angles C4'-P-C4' energy: -179.492 flat angles P-C4'-P energy: -124.767 tors. eta vs tors. theta energy: -216.937 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: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2253.130748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.130748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.130748 (E_RNA) where: Base-Base interactions energy: -1444.950 where: short stacking energy: -698.079 Base-Backbone interact. energy: -1.663 local terms energy: -806.517465 where: bonds (distance) C4'-P energy: -170.142 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -176.633 flat angles P-C4'-P energy: -105.108 tors. eta vs tors. theta energy: -199.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1993.416039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.416039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.416039 (E_RNA) where: Base-Base interactions energy: -1269.130 where: short stacking energy: -580.769 Base-Backbone interact. energy: -6.231 local terms energy: -718.055282 where: bonds (distance) C4'-P energy: -156.232 bonds (distance) P-C4' energy: -171.245 flat angles C4'-P-C4' energy: -179.136 flat angles P-C4'-P energy: -95.093 tors. eta vs tors. theta energy: -116.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1943.342061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.342061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.342061 (E_RNA) where: Base-Base interactions energy: -1252.214 where: short stacking energy: -605.012 Base-Backbone interact. energy: -4.665 local terms energy: -686.463518 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -156.455 flat angles C4'-P-C4' energy: -168.297 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -131.718 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1708.829613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.829613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.829613 (E_RNA) where: Base-Base interactions energy: -1033.474 where: short stacking energy: -491.171 Base-Backbone interact. energy: 2.985 local terms energy: -678.340642 where: bonds (distance) C4'-P energy: -167.741 bonds (distance) P-C4' energy: -157.457 flat angles C4'-P-C4' energy: -165.466 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -84.822 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: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1322.091356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.091356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.091356 (E_RNA) where: Base-Base interactions energy: -729.867 where: short stacking energy: -403.629 Base-Backbone interact. energy: 4.424 local terms energy: -596.648255 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -163.914 flat angles C4'-P-C4' energy: -150.595 flat angles P-C4'-P energy: -105.151 tors. eta vs tors. theta energy: -53.303 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: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -986.549325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.549325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.549325 (E_RNA) where: Base-Base interactions energy: -467.471 where: short stacking energy: -285.095 Base-Backbone interact. energy: 0.923 local terms energy: -520.001181 where: bonds (distance) C4'-P energy: -140.768 bonds (distance) P-C4' energy: -156.854 flat angles C4'-P-C4' energy: -109.575 flat angles P-C4'-P energy: -96.544 tors. eta vs tors. theta energy: -16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -906.363282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.363282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.363282 (E_RNA) where: Base-Base interactions energy: -455.591 where: short stacking energy: -271.198 Base-Backbone interact. energy: 4.595 local terms energy: -455.367167 where: bonds (distance) C4'-P energy: -112.880 bonds (distance) P-C4' energy: -153.059 flat angles C4'-P-C4' energy: -136.968 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: 6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2952.068171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.068171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.068171 (E_RNA) where: Base-Base interactions energy: -2002.976 where: short stacking energy: -924.992 Base-Backbone interact. energy: -2.282 local terms energy: -946.810063 where: bonds (distance) C4'-P energy: -163.375 bonds (distance) P-C4' energy: -198.729 flat angles C4'-P-C4' energy: -198.110 flat angles P-C4'-P energy: -133.232 tors. eta vs tors. theta energy: -253.363 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: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2798.056427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.056427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.056427 (E_RNA) where: Base-Base interactions energy: -1898.186 where: short stacking energy: -830.527 Base-Backbone interact. energy: -2.845 local terms energy: -897.024981 where: bonds (distance) C4'-P energy: -164.658 bonds (distance) P-C4' energy: -179.320 flat angles C4'-P-C4' energy: -198.040 flat angles P-C4'-P energy: -130.633 tors. eta vs tors. theta energy: -224.374 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: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2508.713481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.713481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.713481 (E_RNA) where: Base-Base interactions energy: -1655.508 where: short stacking energy: -749.360 Base-Backbone interact. energy: -2.133 local terms energy: -851.073000 where: bonds (distance) C4'-P energy: -174.095 bonds (distance) P-C4' energy: -167.542 flat angles C4'-P-C4' energy: -187.399 flat angles P-C4'-P energy: -118.987 tors. eta vs tors. theta energy: -203.050 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: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2267.984678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.984678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.984678 (E_RNA) where: Base-Base interactions energy: -1490.048 where: short stacking energy: -718.468 Base-Backbone interact. energy: 5.606 local terms energy: -783.542969 where: bonds (distance) C4'-P energy: -158.025 bonds (distance) P-C4' energy: -151.058 flat angles C4'-P-C4' energy: -177.923 flat angles P-C4'-P energy: -112.508 tors. eta vs tors. theta energy: -184.030 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: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2045.957946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.957946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.957946 (E_RNA) where: Base-Base interactions energy: -1293.313 where: short stacking energy: -636.049 Base-Backbone interact. energy: 4.027 local terms energy: -756.671209 where: bonds (distance) C4'-P energy: -148.715 bonds (distance) P-C4' energy: -171.203 flat angles C4'-P-C4' energy: -174.251 flat angles P-C4'-P energy: -99.943 tors. eta vs tors. theta energy: -162.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1859.882075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.882075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.882075 (E_RNA) where: Base-Base interactions energy: -1206.113 where: short stacking energy: -574.736 Base-Backbone interact. energy: 7.014 local terms energy: -660.783492 where: bonds (distance) C4'-P energy: -138.066 bonds (distance) P-C4' energy: -155.015 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -94.429 tors. eta vs tors. theta energy: -120.161 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: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1651.784917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.784917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.784917 (E_RNA) where: Base-Base interactions energy: -1005.033 where: short stacking energy: -491.637 Base-Backbone interact. energy: -0.160 local terms energy: -646.591171 where: bonds (distance) C4'-P energy: -154.148 bonds (distance) P-C4' energy: -186.887 flat angles C4'-P-C4' energy: -138.184 flat angles P-C4'-P energy: -72.887 tors. eta vs tors. theta energy: -94.485 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: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1327.000162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.000162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.000162 (E_RNA) where: Base-Base interactions energy: -758.661 where: short stacking energy: -395.660 Base-Backbone interact. energy: 2.268 local terms energy: -570.606737 where: bonds (distance) C4'-P energy: -147.331 bonds (distance) P-C4' energy: -158.149 flat angles C4'-P-C4' energy: -138.024 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -39.645 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: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1015.132280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.132280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.132280 (E_RNA) where: Base-Base interactions energy: -487.818 where: short stacking energy: -275.981 Base-Backbone interact. energy: 5.537 local terms energy: -532.850935 where: bonds (distance) C4'-P energy: -149.092 bonds (distance) P-C4' energy: -159.356 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -869.603296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.603296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.603296 (E_RNA) where: Base-Base interactions energy: -434.799 where: short stacking energy: -234.104 Base-Backbone interact. energy: 7.049 local terms energy: -441.852777 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -115.198 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: 33.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3015.001953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.001953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.001953 (E_RNA) where: Base-Base interactions energy: -2035.202 where: short stacking energy: -914.032 Base-Backbone interact. energy: -1.795 local terms energy: -978.005159 where: bonds (distance) C4'-P energy: -189.078 bonds (distance) P-C4' energy: -186.254 flat angles C4'-P-C4' energy: -199.684 flat angles P-C4'-P energy: -145.048 tors. eta vs tors. theta energy: -257.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2764.359709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.359709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.359709 (E_RNA) where: Base-Base interactions energy: -1835.056 where: short stacking energy: -788.114 Base-Backbone interact. energy: -3.872 local terms energy: -925.431231 where: bonds (distance) C4'-P energy: -181.561 bonds (distance) P-C4' energy: -182.801 flat angles C4'-P-C4' energy: -210.411 flat angles P-C4'-P energy: -131.313 tors. eta vs tors. theta energy: -219.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2533.706922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.706922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.706922 (E_RNA) where: Base-Base interactions energy: -1679.229 where: short stacking energy: -761.549 Base-Backbone interact. energy: 5.041 local terms energy: -859.518627 where: bonds (distance) C4'-P energy: -165.415 bonds (distance) P-C4' energy: -182.058 flat angles C4'-P-C4' energy: -188.192 flat angles P-C4'-P energy: -120.780 tors. eta vs tors. theta energy: -203.073 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: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2362.554126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.554126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.554126 (E_RNA) where: Base-Base interactions energy: -1572.164 where: short stacking energy: -746.895 Base-Backbone interact. energy: -0.208 local terms energy: -790.182171 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -160.459 flat angles C4'-P-C4' energy: -170.956 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -207.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2163.279704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.279704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.279704 (E_RNA) where: Base-Base interactions energy: -1403.249 where: short stacking energy: -623.341 Base-Backbone interact. energy: -5.159 local terms energy: -754.871575 where: bonds (distance) C4'-P energy: -160.972 bonds (distance) P-C4' energy: -170.206 flat angles C4'-P-C4' energy: -161.442 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -154.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1910.379961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.379961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.379961 (E_RNA) where: Base-Base interactions energy: -1200.061 where: short stacking energy: -542.571 Base-Backbone interact. energy: -1.171 local terms energy: -709.148117 where: bonds (distance) C4'-P energy: -152.872 bonds (distance) P-C4' energy: -165.252 flat angles C4'-P-C4' energy: -176.685 flat angles P-C4'-P energy: -90.162 tors. eta vs tors. theta energy: -124.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1633.804243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.804243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.804243 (E_RNA) where: Base-Base interactions energy: -984.835 where: short stacking energy: -484.340 Base-Backbone interact. energy: -1.749 local terms energy: -647.220125 where: bonds (distance) C4'-P energy: -149.993 bonds (distance) P-C4' energy: -154.493 flat angles C4'-P-C4' energy: -168.884 flat angles P-C4'-P energy: -106.495 tors. eta vs tors. theta energy: -67.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1279.381579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.381579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.381579 (E_RNA) where: Base-Base interactions energy: -735.130 where: short stacking energy: -388.728 Base-Backbone interact. energy: 4.641 local terms energy: -548.892431 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -135.774 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -82.896 tors. eta vs tors. theta energy: -48.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -981.364955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.364955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.364955 (E_RNA) where: Base-Base interactions energy: -486.710 where: short stacking energy: -292.584 Base-Backbone interact. energy: 0.902 local terms energy: -495.556648 where: bonds (distance) C4'-P energy: -133.965 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -123.518 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -872.643116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.643116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.643116 (E_RNA) where: Base-Base interactions energy: -392.960 where: short stacking energy: -249.833 Base-Backbone interact. energy: 0.530 local terms energy: -480.213066 where: bonds (distance) C4'-P energy: -138.964 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -150.106 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: 0.996 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: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3000.159642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.159642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.159642 (E_RNA) where: Base-Base interactions energy: -2037.704 where: short stacking energy: -902.981 Base-Backbone interact. energy: -5.173 local terms energy: -957.283343 where: bonds (distance) C4'-P energy: -181.228 bonds (distance) P-C4' energy: -186.345 flat angles C4'-P-C4' energy: -194.159 flat angles P-C4'-P energy: -137.099 tors. eta vs tors. theta energy: -258.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2744.027367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.027367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.027367 (E_RNA) where: Base-Base interactions energy: -1837.258 where: short stacking energy: -814.812 Base-Backbone interact. energy: -1.000 local terms energy: -905.769114 where: bonds (distance) C4'-P energy: -182.663 bonds (distance) P-C4' energy: -176.301 flat angles C4'-P-C4' energy: -212.018 flat angles P-C4'-P energy: -112.764 tors. eta vs tors. theta energy: -222.023 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: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2509.236744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.236744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.236744 (E_RNA) where: Base-Base interactions energy: -1640.929 where: short stacking energy: -769.773 Base-Backbone interact. energy: -2.799 local terms energy: -865.508625 where: bonds (distance) C4'-P energy: -155.237 bonds (distance) P-C4' energy: -199.935 flat angles C4'-P-C4' energy: -188.852 flat angles P-C4'-P energy: -119.339 tors. eta vs tors. theta energy: -202.146 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: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2300.359369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.359369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.359369 (E_RNA) where: Base-Base interactions energy: -1506.110 where: short stacking energy: -703.789 Base-Backbone interact. energy: 0.777 local terms energy: -795.025978 where: bonds (distance) C4'-P energy: -162.424 bonds (distance) P-C4' energy: -158.081 flat angles C4'-P-C4' energy: -175.515 flat angles P-C4'-P energy: -102.917 tors. eta vs tors. theta energy: -196.088 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: 99 Temperature: 1.100000 Total energy: -2089.971928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.971928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.971928 (E_RNA) where: Base-Base interactions energy: -1359.716 where: short stacking energy: -617.771 Base-Backbone interact. energy: -6.728 local terms energy: -723.528807 where: bonds (distance) C4'-P energy: -150.826 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -96.935 tors. eta vs tors. theta energy: -142.126 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: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1953.234656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.234656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.234656 (E_RNA) where: Base-Base interactions energy: -1239.643 where: short stacking energy: -585.221 Base-Backbone interact. energy: 0.238 local terms energy: -713.828824 where: bonds (distance) C4'-P energy: -134.883 bonds (distance) P-C4' energy: -155.300 flat angles C4'-P-C4' energy: -172.409 flat angles P-C4'-P energy: -119.987 tors. eta vs tors. theta energy: -131.250 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: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1666.082011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.082011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.082011 (E_RNA) where: Base-Base interactions energy: -1047.924 where: short stacking energy: -507.388 Base-Backbone interact. energy: 0.491 local terms energy: -618.649220 where: bonds (distance) C4'-P energy: -134.209 bonds (distance) P-C4' energy: -162.172 flat angles C4'-P-C4' energy: -152.485 flat angles P-C4'-P energy: -96.294 tors. eta vs tors. theta energy: -73.490 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: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1285.853682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.853682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.853682 (E_RNA) where: Base-Base interactions energy: -725.764 where: short stacking energy: -403.805 Base-Backbone interact. energy: -2.942 local terms energy: -557.147758 where: bonds (distance) C4'-P energy: -146.688 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -121.239 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -61.815 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: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1044.731450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.731450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.731450 (E_RNA) where: Base-Base interactions energy: -542.720 where: short stacking energy: -304.903 Base-Backbone interact. energy: -2.181 local terms energy: -499.830545 where: bonds (distance) C4'-P energy: -148.790 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -123.217 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -10.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -868.575921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.575921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.575921 (E_RNA) where: Base-Base interactions energy: -421.457 where: short stacking energy: -267.385 Base-Backbone interact. energy: 5.326 local terms energy: -452.445011 where: bonds (distance) C4'-P energy: -123.705 bonds (distance) P-C4' energy: -149.246 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: 15.616 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: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3037.635859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.635859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.635859 (E_RNA) where: Base-Base interactions energy: -2048.818 where: short stacking energy: -913.143 Base-Backbone interact. energy: -4.139 local terms energy: -984.679534 where: bonds (distance) C4'-P energy: -179.359 bonds (distance) P-C4' energy: -184.270 flat angles C4'-P-C4' energy: -203.205 flat angles P-C4'-P energy: -147.239 tors. eta vs tors. theta energy: -270.608 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: 100 Temperature: 0.950000 Total energy: -2786.948524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.948524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.948524 (E_RNA) where: Base-Base interactions energy: -1892.122 where: short stacking energy: -830.631 Base-Backbone interact. energy: -1.601 local terms energy: -893.225345 where: bonds (distance) C4'-P energy: -165.934 bonds (distance) P-C4' energy: -179.956 flat angles C4'-P-C4' energy: -201.796 flat angles P-C4'-P energy: -126.010 tors. eta vs tors. theta energy: -219.530 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: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2453.193780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.193780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.193780 (E_RNA) where: Base-Base interactions energy: -1600.481 where: short stacking energy: -713.431 Base-Backbone interact. energy: -2.526 local terms energy: -850.186562 where: bonds (distance) C4'-P energy: -169.104 bonds (distance) P-C4' energy: -182.127 flat angles C4'-P-C4' energy: -194.372 flat angles P-C4'-P energy: -116.569 tors. eta vs tors. theta energy: -188.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2238.534714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.534714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.534714 (E_RNA) where: Base-Base interactions energy: -1444.737 where: short stacking energy: -677.788 Base-Backbone interact. energy: 5.766 local terms energy: -799.564052 where: bonds (distance) C4'-P energy: -132.526 bonds (distance) P-C4' energy: -183.513 flat angles C4'-P-C4' energy: -174.341 flat angles P-C4'-P energy: -117.627 tors. eta vs tors. theta energy: -191.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2130.704840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.704840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.704840 (E_RNA) where: Base-Base interactions energy: -1387.953 where: short stacking energy: -644.212 Base-Backbone interact. energy: -1.331 local terms energy: -741.421347 where: bonds (distance) C4'-P energy: -151.421 bonds (distance) P-C4' energy: -166.484 flat angles C4'-P-C4' energy: -164.694 flat angles P-C4'-P energy: -103.729 tors. eta vs tors. theta energy: -155.094 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: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1881.377856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.377856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.377856 (E_RNA) where: Base-Base interactions energy: -1180.482 where: short stacking energy: -564.376 Base-Backbone interact. energy: 0.226 local terms energy: -701.121180 where: bonds (distance) C4'-P energy: -150.764 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -170.188 flat angles P-C4'-P energy: -94.985 tors. eta vs tors. theta energy: -132.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1734.105592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.105592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.105592 (E_RNA) where: Base-Base interactions energy: -1105.813 where: short stacking energy: -537.578 Base-Backbone interact. energy: -2.506 local terms energy: -625.786804 where: bonds (distance) C4'-P energy: -131.508 bonds (distance) P-C4' energy: -149.865 flat angles C4'-P-C4' energy: -140.753 flat angles P-C4'-P energy: -102.759 tors. eta vs tors. theta energy: -100.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1323.802335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.802335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.802335 (E_RNA) where: Base-Base interactions energy: -742.365 where: short stacking energy: -374.218 Base-Backbone interact. energy: -2.881 local terms energy: -578.556203 where: bonds (distance) C4'-P energy: -155.189 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -81.598 tors. eta vs tors. theta energy: -38.775 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: 100 Temperature: 1.300000 Total energy: -1101.256130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.256130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.256130 (E_RNA) where: Base-Base interactions energy: -575.834 where: short stacking energy: -315.189 Base-Backbone interact. energy: -0.773 local terms energy: -524.649570 where: bonds (distance) C4'-P energy: -122.156 bonds (distance) P-C4' energy: -158.535 flat angles C4'-P-C4' energy: -139.885 flat angles P-C4'-P energy: -77.259 tors. eta vs tors. theta energy: -26.816 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: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -926.368605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.368605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.368605 (E_RNA) where: Base-Base interactions energy: -433.668 where: short stacking energy: -264.869 Base-Backbone interact. energy: -1.881 local terms energy: -490.819937 where: bonds (distance) C4'-P energy: -152.924 bonds (distance) P-C4' energy: -152.474 flat angles C4'-P-C4' energy: -125.501 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: 21.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3028.217203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.217203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.217203 (E_RNA) where: Base-Base interactions energy: -2058.822 where: short stacking energy: -908.027 Base-Backbone interact. energy: -0.614 local terms energy: -968.781673 where: bonds (distance) C4'-P energy: -183.121 bonds (distance) P-C4' energy: -178.282 flat angles C4'-P-C4' energy: -205.258 flat angles P-C4'-P energy: -132.655 tors. eta vs tors. theta energy: -269.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2746.861816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.861816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.861816 (E_RNA) where: Base-Base interactions energy: -1865.273 where: short stacking energy: -813.874 Base-Backbone interact. energy: -4.821 local terms energy: -876.768175 where: bonds (distance) C4'-P energy: -160.091 bonds (distance) P-C4' energy: -184.977 flat angles C4'-P-C4' energy: -189.885 flat angles P-C4'-P energy: -132.519 tors. eta vs tors. theta energy: -209.296 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2482.529007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.529007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.529007 (E_RNA) where: Base-Base interactions energy: -1625.202 where: short stacking energy: -752.572 Base-Backbone interact. energy: -2.679 local terms energy: -854.648119 where: bonds (distance) C4'-P energy: -151.980 bonds (distance) P-C4' energy: -181.558 flat angles C4'-P-C4' energy: -196.302 flat angles P-C4'-P energy: -119.111 tors. eta vs tors. theta energy: -205.696 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: 6 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2209.673525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.673525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.673525 (E_RNA) where: Base-Base interactions energy: -1427.756 where: short stacking energy: -639.427 Base-Backbone interact. energy: 3.636 local terms energy: -785.553513 where: bonds (distance) C4'-P energy: -166.053 bonds (distance) P-C4' energy: -162.802 flat angles C4'-P-C4' energy: -170.458 flat angles P-C4'-P energy: -125.732 tors. eta vs tors. theta energy: -160.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2149.457189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.457189 (E_RNA) where: Base-Base interactions energy: -1385.350 where: short stacking energy: -637.605 Base-Backbone interact. energy: -3.048 local terms energy: -761.058998 where: bonds (distance) C4'-P energy: -162.908 bonds (distance) P-C4' energy: -167.179 flat angles C4'-P-C4' energy: -179.770 flat angles P-C4'-P energy: -115.090 tors. eta vs tors. theta energy: -136.112 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: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1902.754262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.754262 (E_RNA) where: Base-Base interactions energy: -1158.669 where: short stacking energy: -532.369 Base-Backbone interact. energy: 0.618 local terms energy: -744.702599 where: bonds (distance) C4'-P energy: -175.423 bonds (distance) P-C4' energy: -166.478 flat angles C4'-P-C4' energy: -183.760 flat angles P-C4'-P energy: -107.401 tors. eta vs tors. theta energy: -111.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1713.382430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.382430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.382430 (E_RNA) where: Base-Base interactions energy: -1068.540 where: short stacking energy: -517.455 Base-Backbone interact. energy: -4.026 local terms energy: -640.816736 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -156.438 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -93.979 tors. eta vs tors. theta energy: -107.384 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: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1362.994980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.994980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.994980 (E_RNA) where: Base-Base interactions energy: -766.610 where: short stacking energy: -425.387 Base-Backbone interact. energy: 0.799 local terms energy: -597.184165 where: bonds (distance) C4'-P energy: -156.066 bonds (distance) P-C4' energy: -149.172 flat angles C4'-P-C4' energy: -145.845 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -59.612 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: 101 Temperature: 1.300000 Total energy: -1015.580445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.580445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.580445 (E_RNA) where: Base-Base interactions energy: -509.119 where: short stacking energy: -282.729 Base-Backbone interact. energy: 4.566 local terms energy: -511.027976 where: bonds (distance) C4'-P energy: -160.053 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: 1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -846.225124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.225124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.225124 (E_RNA) where: Base-Base interactions energy: -375.695 where: short stacking energy: -211.671 Base-Backbone interact. energy: 6.802 local terms energy: -477.332512 where: bonds (distance) C4'-P energy: -157.507 bonds (distance) P-C4' energy: -134.063 flat angles C4'-P-C4' energy: -117.755 flat angles P-C4'-P energy: -87.807 tors. eta vs tors. theta energy: 19.800 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: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3015.201296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.201296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.201296 (E_RNA) where: Base-Base interactions energy: -2035.498 where: short stacking energy: -904.527 Base-Backbone interact. energy: -3.511 local terms energy: -976.192725 where: bonds (distance) C4'-P energy: -187.244 bonds (distance) P-C4' energy: -186.991 flat angles C4'-P-C4' energy: -203.176 flat angles P-C4'-P energy: -129.800 tors. eta vs tors. theta energy: -268.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2735.254826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.254826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.254826 (E_RNA) where: Base-Base interactions energy: -1846.448 where: short stacking energy: -799.413 Base-Backbone interact. energy: -0.167 local terms energy: -888.640388 where: bonds (distance) C4'-P energy: -174.863 bonds (distance) P-C4' energy: -161.265 flat angles C4'-P-C4' energy: -198.647 flat angles P-C4'-P energy: -144.924 tors. eta vs tors. theta energy: -208.941 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: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2451.799248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.799248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.799248 (E_RNA) where: Base-Base interactions energy: -1638.397 where: short stacking energy: -740.995 Base-Backbone interact. energy: 3.669 local terms energy: -817.070929 where: bonds (distance) C4'-P energy: -174.087 bonds (distance) P-C4' energy: -165.097 flat angles C4'-P-C4' energy: -174.366 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -183.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2246.436487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.436487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.436487 (E_RNA) where: Base-Base interactions energy: -1436.942 where: short stacking energy: -665.756 Base-Backbone interact. energy: -2.578 local terms energy: -806.916168 where: bonds (distance) C4'-P energy: -167.900 bonds (distance) P-C4' energy: -172.171 flat angles C4'-P-C4' energy: -173.100 flat angles P-C4'-P energy: -120.158 tors. eta vs tors. theta energy: -173.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2130.918252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.918252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.918252 (E_RNA) where: Base-Base interactions energy: -1364.250 where: short stacking energy: -629.318 Base-Backbone interact. energy: -5.991 local terms energy: -760.677717 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -177.181 flat angles P-C4'-P energy: -118.238 tors. eta vs tors. theta energy: -160.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1865.531916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.531916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.531916 (E_RNA) where: Base-Base interactions energy: -1203.110 where: short stacking energy: -569.055 Base-Backbone interact. energy: 0.928 local terms energy: -663.349947 where: bonds (distance) C4'-P energy: -134.565 bonds (distance) P-C4' energy: -156.322 flat angles C4'-P-C4' energy: -148.694 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -120.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1762.576308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.576308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.576308 (E_RNA) where: Base-Base interactions energy: -1091.952 where: short stacking energy: -492.030 Base-Backbone interact. energy: 0.540 local terms energy: -671.164134 where: bonds (distance) C4'-P energy: -158.592 bonds (distance) P-C4' energy: -162.414 flat angles C4'-P-C4' energy: -157.912 flat angles P-C4'-P energy: -100.399 tors. eta vs tors. theta energy: -91.846 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: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1394.826904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.826904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.826904 (E_RNA) where: Base-Base interactions energy: -793.937 where: short stacking energy: -393.826 Base-Backbone interact. energy: -3.565 local terms energy: -597.325147 where: bonds (distance) C4'-P energy: -159.430 bonds (distance) P-C4' energy: -148.335 flat angles C4'-P-C4' energy: -150.258 flat angles P-C4'-P energy: -93.969 tors. eta vs tors. theta energy: -45.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1012.697571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.697571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.697571 (E_RNA) where: Base-Base interactions energy: -508.245 where: short stacking energy: -292.080 Base-Backbone interact. energy: 1.250 local terms energy: -505.702673 where: bonds (distance) C4'-P energy: -142.905 bonds (distance) P-C4' energy: -153.503 flat angles C4'-P-C4' energy: -132.784 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -837.412956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.412956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.412956 (E_RNA) where: Base-Base interactions energy: -427.669 where: short stacking energy: -243.112 Base-Backbone interact. energy: 0.323 local terms energy: -410.067549 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -135.461 flat angles C4'-P-C4' energy: -117.844 flat angles P-C4'-P energy: -58.720 tors. eta vs tors. theta energy: 38.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2995.186010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.186010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.186010 (E_RNA) where: Base-Base interactions energy: -2038.039 where: short stacking energy: -920.943 Base-Backbone interact. energy: -3.313 local terms energy: -953.834695 where: bonds (distance) C4'-P energy: -181.897 bonds (distance) P-C4' energy: -177.903 flat angles C4'-P-C4' energy: -195.798 flat angles P-C4'-P energy: -124.935 tors. eta vs tors. theta energy: -273.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2748.401601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.401601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.401601 (E_RNA) where: Base-Base interactions energy: -1882.063 where: short stacking energy: -818.196 Base-Backbone interact. energy: -0.387 local terms energy: -865.951545 where: bonds (distance) C4'-P energy: -174.826 bonds (distance) P-C4' energy: -166.806 flat angles C4'-P-C4' energy: -186.644 flat angles P-C4'-P energy: -122.616 tors. eta vs tors. theta energy: -215.061 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2438.277258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.277258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.277258 (E_RNA) where: Base-Base interactions energy: -1593.269 where: short stacking energy: -748.469 Base-Backbone interact. energy: -0.498 local terms energy: -844.510690 where: bonds (distance) C4'-P energy: -172.854 bonds (distance) P-C4' energy: -170.351 flat angles C4'-P-C4' energy: -190.549 flat angles P-C4'-P energy: -110.365 tors. eta vs tors. theta energy: -200.391 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: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2296.302052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.302052 (E_RNA) where: Base-Base interactions energy: -1494.858 where: short stacking energy: -707.422 Base-Backbone interact. energy: -0.699 local terms energy: -800.745739 where: bonds (distance) C4'-P energy: -154.242 bonds (distance) P-C4' energy: -195.036 flat angles C4'-P-C4' energy: -175.202 flat angles P-C4'-P energy: -94.860 tors. eta vs tors. theta energy: -181.405 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: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2122.623571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.623571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.623571 (E_RNA) where: Base-Base interactions energy: -1359.212 where: short stacking energy: -644.359 Base-Backbone interact. energy: 0.694 local terms energy: -764.105765 where: bonds (distance) C4'-P energy: -153.550 bonds (distance) P-C4' energy: -177.831 flat angles C4'-P-C4' energy: -162.954 flat angles P-C4'-P energy: -118.421 tors. eta vs tors. theta energy: -151.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1929.880191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.880191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.880191 (E_RNA) where: Base-Base interactions energy: -1245.550 where: short stacking energy: -571.122 Base-Backbone interact. energy: -0.371 local terms energy: -683.959261 where: bonds (distance) C4'-P energy: -149.953 bonds (distance) P-C4' energy: -153.914 flat angles C4'-P-C4' energy: -161.279 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -126.985 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: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1754.273311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.273311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.273311 (E_RNA) where: Base-Base interactions energy: -1104.644 where: short stacking energy: -501.099 Base-Backbone interact. energy: 0.720 local terms energy: -650.348500 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -145.274 flat angles C4'-P-C4' energy: -161.248 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -92.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1437.026886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.026886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.026886 (E_RNA) where: Base-Base interactions energy: -824.218 where: short stacking energy: -430.360 Base-Backbone interact. energy: -1.581 local terms energy: -611.228065 where: bonds (distance) C4'-P energy: -133.166 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -156.859 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -86.168 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: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1077.307459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.307459 (E_RNA) where: Base-Base interactions energy: -563.314 where: short stacking energy: -296.988 Base-Backbone interact. energy: -0.001 local terms energy: -513.992234 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -157.927 flat angles C4'-P-C4' energy: -115.608 flat angles P-C4'-P energy: -75.989 tors. eta vs tors. theta energy: -21.239 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -945.128201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.128201 (E_RNA) where: Base-Base interactions energy: -449.779 where: short stacking energy: -244.773 Base-Backbone interact. energy: -3.019 local terms energy: -492.330808 where: bonds (distance) C4'-P energy: -130.848 bonds (distance) P-C4' energy: -138.858 flat angles C4'-P-C4' energy: -129.713 flat angles P-C4'-P energy: -87.773 tors. eta vs tors. theta energy: -5.139 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: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2968.060414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.060414 (E_RNA) where: Base-Base interactions energy: -1996.983 where: short stacking energy: -914.548 Base-Backbone interact. energy: -1.147 local terms energy: -969.930950 where: bonds (distance) C4'-P energy: -182.967 bonds (distance) P-C4' energy: -172.368 flat angles C4'-P-C4' energy: -216.055 flat angles P-C4'-P energy: -136.273 tors. eta vs tors. theta energy: -262.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2744.379610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.379610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.379610 (E_RNA) where: Base-Base interactions energy: -1838.654 where: short stacking energy: -790.203 Base-Backbone interact. energy: -4.827 local terms energy: -900.897713 where: bonds (distance) C4'-P energy: -174.967 bonds (distance) P-C4' energy: -200.831 flat angles C4'-P-C4' energy: -192.693 flat angles P-C4'-P energy: -116.040 tors. eta vs tors. theta energy: -216.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2419.562639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.562639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.562639 (E_RNA) where: Base-Base interactions energy: -1605.746 where: short stacking energy: -735.030 Base-Backbone interact. energy: -4.726 local terms energy: -809.091327 where: bonds (distance) C4'-P energy: -163.141 bonds (distance) P-C4' energy: -152.604 flat angles C4'-P-C4' energy: -187.438 flat angles P-C4'-P energy: -116.606 tors. eta vs tors. theta energy: -189.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2245.451477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.451477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.451477 (E_RNA) where: Base-Base interactions energy: -1460.143 where: short stacking energy: -674.496 Base-Backbone interact. energy: -2.434 local terms energy: -782.874381 where: bonds (distance) C4'-P energy: -164.107 bonds (distance) P-C4' energy: -161.889 flat angles C4'-P-C4' energy: -178.036 flat angles P-C4'-P energy: -109.919 tors. eta vs tors. theta energy: -168.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2104.177118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.177118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.177118 (E_RNA) where: Base-Base interactions energy: -1334.083 where: short stacking energy: -637.010 Base-Backbone interact. energy: -1.190 local terms energy: -768.904175 where: bonds (distance) C4'-P energy: -141.618 bonds (distance) P-C4' energy: -168.757 flat angles C4'-P-C4' energy: -199.139 flat angles P-C4'-P energy: -107.902 tors. eta vs tors. theta energy: -151.489 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: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1825.546615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.546615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.546615 (E_RNA) where: Base-Base interactions energy: -1142.544 where: short stacking energy: -528.084 Base-Backbone interact. energy: 3.877 local terms energy: -686.879843 where: bonds (distance) C4'-P energy: -136.783 bonds (distance) P-C4' energy: -163.984 flat angles C4'-P-C4' energy: -157.382 flat angles P-C4'-P energy: -101.526 tors. eta vs tors. theta energy: -127.204 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: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1792.806625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.806625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.806625 (E_RNA) where: Base-Base interactions energy: -1129.426 where: short stacking energy: -548.858 Base-Backbone interact. energy: 5.315 local terms energy: -668.695201 where: bonds (distance) C4'-P energy: -155.930 bonds (distance) P-C4' energy: -141.869 flat angles C4'-P-C4' energy: -137.305 flat angles P-C4'-P energy: -116.811 tors. eta vs tors. theta energy: -116.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1396.937164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.937164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.937164 (E_RNA) where: Base-Base interactions energy: -833.322 where: short stacking energy: -415.529 Base-Backbone interact. energy: -0.599 local terms energy: -563.015651 where: bonds (distance) C4'-P energy: -150.335 bonds (distance) P-C4' energy: -154.402 flat angles C4'-P-C4' energy: -121.504 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -45.077 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: 104 Temperature: 1.300000 Total energy: -1061.998519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.998519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.998519 (E_RNA) where: Base-Base interactions energy: -567.975 where: short stacking energy: -297.077 Base-Backbone interact. energy: 2.666 local terms energy: -496.689707 where: bonds (distance) C4'-P energy: -148.323 bonds (distance) P-C4' energy: -158.148 flat angles C4'-P-C4' energy: -107.656 flat angles P-C4'-P energy: -73.183 tors. eta vs tors. theta energy: -9.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -968.063582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.063582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.063582 (E_RNA) where: Base-Base interactions energy: -466.826 where: short stacking energy: -268.950 Base-Backbone interact. energy: 0.814 local terms energy: -502.051510 where: bonds (distance) C4'-P energy: -150.331 bonds (distance) P-C4' energy: -159.743 flat angles C4'-P-C4' energy: -115.855 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3012.475300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.475300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.475300 (E_RNA) where: Base-Base interactions energy: -2040.387 where: short stacking energy: -956.025 Base-Backbone interact. energy: -3.267 local terms energy: -968.820879 where: bonds (distance) C4'-P energy: -158.145 bonds (distance) P-C4' energy: -190.768 flat angles C4'-P-C4' energy: -210.611 flat angles P-C4'-P energy: -133.577 tors. eta vs tors. theta energy: -275.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2759.917482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.917482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.917482 (E_RNA) where: Base-Base interactions energy: -1884.160 where: short stacking energy: -812.051 Base-Backbone interact. energy: 2.115 local terms energy: -877.872320 where: bonds (distance) C4'-P energy: -168.634 bonds (distance) P-C4' energy: -191.642 flat angles C4'-P-C4' energy: -193.507 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -207.532 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: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2470.038263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.038263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.038263 (E_RNA) where: Base-Base interactions energy: -1627.714 where: short stacking energy: -759.754 Base-Backbone interact. energy: 2.501 local terms energy: -844.824742 where: bonds (distance) C4'-P energy: -154.202 bonds (distance) P-C4' energy: -181.085 flat angles C4'-P-C4' energy: -203.370 flat angles P-C4'-P energy: -116.359 tors. eta vs tors. theta energy: -189.809 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: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2259.358101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.358101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.358101 (E_RNA) where: Base-Base interactions energy: -1462.162 where: short stacking energy: -694.011 Base-Backbone interact. energy: -3.358 local terms energy: -793.838246 where: bonds (distance) C4'-P energy: -167.118 bonds (distance) P-C4' energy: -171.709 flat angles C4'-P-C4' energy: -175.200 flat angles P-C4'-P energy: -117.332 tors. eta vs tors. theta energy: -162.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2203.242682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.242682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.242682 (E_RNA) where: Base-Base interactions energy: -1426.961 where: short stacking energy: -675.152 Base-Backbone interact. energy: -2.313 local terms energy: -773.969057 where: bonds (distance) C4'-P energy: -161.159 bonds (distance) P-C4' energy: -165.035 flat angles C4'-P-C4' energy: -180.101 flat angles P-C4'-P energy: -104.650 tors. eta vs tors. theta energy: -163.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1837.253786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.253786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.253786 (E_RNA) where: Base-Base interactions energy: -1167.139 where: short stacking energy: -548.286 Base-Backbone interact. energy: 5.022 local terms energy: -675.136186 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -172.128 flat angles C4'-P-C4' energy: -165.119 flat angles P-C4'-P energy: -93.462 tors. eta vs tors. theta energy: -107.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1778.107563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.107563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.107563 (E_RNA) where: Base-Base interactions energy: -1131.980 where: short stacking energy: -517.078 Base-Backbone interact. energy: 4.298 local terms energy: -650.425220 where: bonds (distance) C4'-P energy: -149.038 bonds (distance) P-C4' energy: -145.501 flat angles C4'-P-C4' energy: -158.094 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -106.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1395.547256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.547256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.547256 (E_RNA) where: Base-Base interactions energy: -806.067 where: short stacking energy: -445.217 Base-Backbone interact. energy: -1.874 local terms energy: -587.606229 where: bonds (distance) C4'-P energy: -153.062 bonds (distance) P-C4' energy: -134.640 flat angles C4'-P-C4' energy: -153.537 flat angles P-C4'-P energy: -86.303 tors. eta vs tors. theta energy: -60.064 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: 105 Temperature: 1.300000 Total energy: -1053.460252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.460252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.460252 (E_RNA) where: Base-Base interactions energy: -532.374 where: short stacking energy: -292.801 Base-Backbone interact. energy: -3.738 local terms energy: -517.347873 where: bonds (distance) C4'-P energy: -129.127 bonds (distance) P-C4' energy: -166.529 flat angles C4'-P-C4' energy: -149.769 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -841.031538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.031538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.031538 (E_RNA) where: Base-Base interactions energy: -416.240 where: short stacking energy: -242.941 Base-Backbone interact. energy: 7.991 local terms energy: -432.782612 where: bonds (distance) C4'-P energy: -138.329 bonds (distance) P-C4' energy: -142.181 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: 6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2998.106946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.106946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.106946 (E_RNA) where: Base-Base interactions energy: -2011.858 where: short stacking energy: -936.714 Base-Backbone interact. energy: -3.618 local terms energy: -982.630600 where: bonds (distance) C4'-P energy: -178.221 bonds (distance) P-C4' energy: -183.691 flat angles C4'-P-C4' energy: -202.510 flat angles P-C4'-P energy: -151.143 tors. eta vs tors. theta energy: -267.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2748.805945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.805945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.805945 (E_RNA) where: Base-Base interactions energy: -1893.989 where: short stacking energy: -800.840 Base-Backbone interact. energy: -5.725 local terms energy: -849.092091 where: bonds (distance) C4'-P energy: -149.737 bonds (distance) P-C4' energy: -172.760 flat angles C4'-P-C4' energy: -176.907 flat angles P-C4'-P energy: -134.066 tors. eta vs tors. theta energy: -215.623 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: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2443.247806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.247806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.247806 (E_RNA) where: Base-Base interactions energy: -1624.704 where: short stacking energy: -774.958 Base-Backbone interact. energy: -1.077 local terms energy: -817.466717 where: bonds (distance) C4'-P energy: -149.615 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -200.304 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -200.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2298.489806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.489806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.489806 (E_RNA) where: Base-Base interactions energy: -1493.692 where: short stacking energy: -677.970 Base-Backbone interact. energy: -2.767 local terms energy: -802.030819 where: bonds (distance) C4'-P energy: -143.423 bonds (distance) P-C4' energy: -174.659 flat angles C4'-P-C4' energy: -195.558 flat angles P-C4'-P energy: -114.890 tors. eta vs tors. theta energy: -173.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2177.520452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.520452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.520452 (E_RNA) where: Base-Base interactions energy: -1426.560 where: short stacking energy: -636.417 Base-Backbone interact. energy: -2.986 local terms energy: -747.975058 where: bonds (distance) C4'-P energy: -156.879 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -117.482 tors. eta vs tors. theta energy: -157.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1843.799430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.799430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.799430 (E_RNA) where: Base-Base interactions energy: -1182.626 where: short stacking energy: -570.089 Base-Backbone interact. energy: 2.580 local terms energy: -663.753133 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -145.611 flat angles C4'-P-C4' energy: -156.681 flat angles P-C4'-P energy: -114.667 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: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1701.503393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.503393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.503393 (E_RNA) where: Base-Base interactions energy: -1049.751 where: short stacking energy: -517.579 Base-Backbone interact. energy: 3.168 local terms energy: -654.920547 where: bonds (distance) C4'-P energy: -158.145 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -165.943 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -94.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1429.986649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.986649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.986649 (E_RNA) where: Base-Base interactions energy: -847.069 where: short stacking energy: -422.760 Base-Backbone interact. energy: -1.549 local terms energy: -581.368286 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -168.647 flat angles C4'-P-C4' energy: -125.326 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -56.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1050.861072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.861072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.861072 (E_RNA) where: Base-Base interactions energy: -529.583 where: short stacking energy: -299.885 Base-Backbone interact. energy: -1.535 local terms energy: -519.743352 where: bonds (distance) C4'-P energy: -133.601 bonds (distance) P-C4' energy: -158.501 flat angles C4'-P-C4' energy: -136.942 flat angles P-C4'-P energy: -64.862 tors. eta vs tors. theta energy: -25.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -866.529659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.529659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.529659 (E_RNA) where: Base-Base interactions energy: -362.394 where: short stacking energy: -216.966 Base-Backbone interact. energy: 2.654 local terms energy: -506.789317 where: bonds (distance) C4'-P energy: -146.922 bonds (distance) P-C4' energy: -164.580 flat angles C4'-P-C4' energy: -130.937 flat angles P-C4'-P energy: -76.947 tors. eta vs tors. theta energy: 12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2986.911961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.911961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.911961 (E_RNA) where: Base-Base interactions energy: -2029.399 where: short stacking energy: -937.712 Base-Backbone interact. energy: -0.233 local terms energy: -957.280011 where: bonds (distance) C4'-P energy: -177.177 bonds (distance) P-C4' energy: -187.661 flat angles C4'-P-C4' energy: -192.741 flat angles P-C4'-P energy: -141.197 tors. eta vs tors. theta energy: -258.504 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: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2732.128551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.128551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.128551 (E_RNA) where: Base-Base interactions energy: -1851.046 where: short stacking energy: -794.462 Base-Backbone interact. energy: -4.677 local terms energy: -876.405330 where: bonds (distance) C4'-P energy: -176.873 bonds (distance) P-C4' energy: -174.557 flat angles C4'-P-C4' energy: -192.424 flat angles P-C4'-P energy: -116.563 tors. eta vs tors. theta energy: -215.987 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: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2451.540426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.540426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.540426 (E_RNA) where: Base-Base interactions energy: -1604.454 where: short stacking energy: -759.721 Base-Backbone interact. energy: 1.970 local terms energy: -849.056337 where: bonds (distance) C4'-P energy: -176.365 bonds (distance) P-C4' energy: -171.096 flat angles C4'-P-C4' energy: -194.371 flat angles P-C4'-P energy: -116.314 tors. eta vs tors. theta energy: -190.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2277.632856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.632856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.632856 (E_RNA) where: Base-Base interactions energy: -1459.052 where: short stacking energy: -679.967 Base-Backbone interact. energy: -0.416 local terms energy: -818.165140 where: bonds (distance) C4'-P energy: -147.577 bonds (distance) P-C4' energy: -182.493 flat angles C4'-P-C4' energy: -191.775 flat angles P-C4'-P energy: -122.803 tors. eta vs tors. theta energy: -173.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2155.410417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.410417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.410417 (E_RNA) where: Base-Base interactions energy: -1409.107 where: short stacking energy: -663.082 Base-Backbone interact. energy: 2.424 local terms energy: -748.726851 where: bonds (distance) C4'-P energy: -163.436 bonds (distance) P-C4' energy: -160.309 flat angles C4'-P-C4' energy: -161.715 flat angles P-C4'-P energy: -95.518 tors. eta vs tors. theta energy: -167.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1837.885202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.885202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.885202 (E_RNA) where: Base-Base interactions energy: -1189.905 where: short stacking energy: -564.079 Base-Backbone interact. energy: 0.325 local terms energy: -648.305309 where: bonds (distance) C4'-P energy: -136.518 bonds (distance) P-C4' energy: -149.966 flat angles C4'-P-C4' energy: -166.080 flat angles P-C4'-P energy: -91.567 tors. eta vs tors. theta energy: -104.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1742.779416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.779416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.779416 (E_RNA) where: Base-Base interactions energy: -1087.386 where: short stacking energy: -549.746 Base-Backbone interact. energy: 2.593 local terms energy: -657.986396 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -163.834 flat angles C4'-P-C4' energy: -152.695 flat angles P-C4'-P energy: -95.700 tors. eta vs tors. theta energy: -112.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1487.831810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.831810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.831810 (E_RNA) where: Base-Base interactions energy: -889.296 where: short stacking energy: -400.173 Base-Backbone interact. energy: -3.734 local terms energy: -594.801600 where: bonds (distance) C4'-P energy: -148.844 bonds (distance) P-C4' energy: -135.941 flat angles C4'-P-C4' energy: -146.959 flat angles P-C4'-P energy: -99.597 tors. eta vs tors. theta energy: -63.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1012.710742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.710742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.710742 (E_RNA) where: Base-Base interactions energy: -480.356 where: short stacking energy: -293.881 Base-Backbone interact. energy: -0.113 local terms energy: -532.241970 where: bonds (distance) C4'-P energy: -148.569 bonds (distance) P-C4' energy: -150.387 flat angles C4'-P-C4' energy: -123.650 flat angles P-C4'-P energy: -94.167 tors. eta vs tors. theta energy: -15.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -850.958039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.958039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.958039 (E_RNA) where: Base-Base interactions energy: -358.230 where: short stacking energy: -234.006 Base-Backbone interact. energy: -0.178 local terms energy: -492.550483 where: bonds (distance) C4'-P energy: -157.352 bonds (distance) P-C4' energy: -165.535 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: 9.538 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: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2994.955478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.955478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.955478 (E_RNA) where: Base-Base interactions energy: -2020.556 where: short stacking energy: -920.034 Base-Backbone interact. energy: -1.167 local terms energy: -973.232590 where: bonds (distance) C4'-P energy: -175.197 bonds (distance) P-C4' energy: -176.535 flat angles C4'-P-C4' energy: -207.151 flat angles P-C4'-P energy: -141.891 tors. eta vs tors. theta energy: -272.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2726.100960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.100960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.100960 (E_RNA) where: Base-Base interactions energy: -1849.789 where: short stacking energy: -814.583 Base-Backbone interact. energy: -4.775 local terms energy: -871.537086 where: bonds (distance) C4'-P energy: -174.635 bonds (distance) P-C4' energy: -175.430 flat angles C4'-P-C4' energy: -203.408 flat angles P-C4'-P energy: -105.408 tors. eta vs tors. theta energy: -212.656 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: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2464.610089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.610089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.610089 (E_RNA) where: Base-Base interactions energy: -1600.728 where: short stacking energy: -749.532 Base-Backbone interact. energy: 0.312 local terms energy: -864.193985 where: bonds (distance) C4'-P energy: -179.341 bonds (distance) P-C4' energy: -178.003 flat angles C4'-P-C4' energy: -194.856 flat angles P-C4'-P energy: -124.047 tors. eta vs tors. theta energy: -187.947 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: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2223.475338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.475338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.475338 (E_RNA) where: Base-Base interactions energy: -1446.515 where: short stacking energy: -682.852 Base-Backbone interact. energy: 1.125 local terms energy: -778.085444 where: bonds (distance) C4'-P energy: -162.617 bonds (distance) P-C4' energy: -170.003 flat angles C4'-P-C4' energy: -184.961 flat angles P-C4'-P energy: -107.700 tors. eta vs tors. theta energy: -152.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2137.581221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.581221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.581221 (E_RNA) where: Base-Base interactions energy: -1418.208 where: short stacking energy: -657.387 Base-Backbone interact. energy: 6.710 local terms energy: -726.083731 where: bonds (distance) C4'-P energy: -142.546 bonds (distance) P-C4' energy: -144.705 flat angles C4'-P-C4' energy: -173.706 flat angles P-C4'-P energy: -103.835 tors. eta vs tors. theta energy: -161.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1851.760718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.760718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.760718 (E_RNA) where: Base-Base interactions energy: -1158.408 where: short stacking energy: -557.156 Base-Backbone interact. energy: -0.494 local terms energy: -692.858164 where: bonds (distance) C4'-P energy: -145.958 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -173.560 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -112.704 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1850.212965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.212965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.212965 (E_RNA) where: Base-Base interactions energy: -1161.143 where: short stacking energy: -498.885 Base-Backbone interact. energy: 0.524 local terms energy: -689.594092 where: bonds (distance) C4'-P energy: -168.485 bonds (distance) P-C4' energy: -168.090 flat angles C4'-P-C4' energy: -156.019 flat angles P-C4'-P energy: -96.237 tors. eta vs tors. theta energy: -100.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1515.607615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.607615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.607615 (E_RNA) where: Base-Base interactions energy: -883.966 where: short stacking energy: -423.709 Base-Backbone interact. energy: -1.669 local terms energy: -629.972269 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -168.096 flat angles C4'-P-C4' energy: -150.285 flat angles P-C4'-P energy: -92.143 tors. eta vs tors. theta energy: -76.985 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: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -967.590592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.590592 (E_RNA) where: Base-Base interactions energy: -479.755 where: short stacking energy: -286.363 Base-Backbone interact. energy: 2.224 local terms energy: -490.059857 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -137.439 flat angles C4'-P-C4' energy: -126.176 flat angles P-C4'-P energy: -76.798 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -876.665926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.665926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.665926 (E_RNA) where: Base-Base interactions energy: -424.681 where: short stacking energy: -265.307 Base-Backbone interact. energy: 11.528 local terms energy: -463.513211 where: bonds (distance) C4'-P energy: -150.615 bonds (distance) P-C4' energy: -139.332 flat angles C4'-P-C4' energy: -108.362 flat angles P-C4'-P energy: -76.879 tors. eta vs tors. theta energy: 11.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2954.242794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.242794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.242794 (E_RNA) where: Base-Base interactions energy: -1981.766 where: short stacking energy: -911.773 Base-Backbone interact. energy: -1.827 local terms energy: -970.650326 where: bonds (distance) C4'-P energy: -173.030 bonds (distance) P-C4' energy: -191.347 flat angles C4'-P-C4' energy: -214.781 flat angles P-C4'-P energy: -135.250 tors. eta vs tors. theta energy: -256.242 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: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2673.118379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.118379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.118379 (E_RNA) where: Base-Base interactions energy: -1795.059 where: short stacking energy: -789.396 Base-Backbone interact. energy: -4.939 local terms energy: -873.119877 where: bonds (distance) C4'-P energy: -161.050 bonds (distance) P-C4' energy: -166.668 flat angles C4'-P-C4' energy: -203.528 flat angles P-C4'-P energy: -135.067 tors. eta vs tors. theta energy: -206.807 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: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2470.188795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.188795 (E_RNA) where: Base-Base interactions energy: -1638.082 where: short stacking energy: -754.636 Base-Backbone interact. energy: 1.326 local terms energy: -833.433100 where: bonds (distance) C4'-P energy: -171.868 bonds (distance) P-C4' energy: -159.146 flat angles C4'-P-C4' energy: -199.312 flat angles P-C4'-P energy: -119.838 tors. eta vs tors. theta energy: -183.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2267.223933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.223933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.223933 (E_RNA) where: Base-Base interactions energy: -1460.795 where: short stacking energy: -686.033 Base-Backbone interact. energy: -4.069 local terms energy: -802.360380 where: bonds (distance) C4'-P energy: -155.242 bonds (distance) P-C4' energy: -168.950 flat angles C4'-P-C4' energy: -191.773 flat angles P-C4'-P energy: -112.736 tors. eta vs tors. theta energy: -173.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2169.600871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.600871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.600871 (E_RNA) where: Base-Base interactions energy: -1418.220 where: short stacking energy: -677.438 Base-Backbone interact. energy: 4.833 local terms energy: -756.214205 where: bonds (distance) C4'-P energy: -164.122 bonds (distance) P-C4' energy: -151.210 flat angles C4'-P-C4' energy: -174.657 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -172.440 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: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1940.547477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.547477 (E_RNA) where: Base-Base interactions energy: -1247.648 where: short stacking energy: -587.099 Base-Backbone interact. energy: -3.521 local terms energy: -689.378485 where: bonds (distance) C4'-P energy: -133.191 bonds (distance) P-C4' energy: -181.171 flat angles C4'-P-C4' energy: -170.535 flat angles P-C4'-P energy: -99.639 tors. eta vs tors. theta energy: -104.842 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: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1831.444339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.444339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.444339 (E_RNA) where: Base-Base interactions energy: -1151.170 where: short stacking energy: -532.968 Base-Backbone interact. energy: -3.276 local terms energy: -676.998074 where: bonds (distance) C4'-P energy: -150.399 bonds (distance) P-C4' energy: -170.638 flat angles C4'-P-C4' energy: -174.327 flat angles P-C4'-P energy: -83.530 tors. eta vs tors. theta energy: -98.104 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1507.547062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.547062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.547062 (E_RNA) where: Base-Base interactions energy: -938.407 where: short stacking energy: -447.235 Base-Backbone interact. energy: 11.244 local terms energy: -580.383651 where: bonds (distance) C4'-P energy: -128.608 bonds (distance) P-C4' energy: -150.089 flat angles C4'-P-C4' energy: -136.282 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -71.317 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: 109 Temperature: 1.300000 Total energy: -979.257983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.257983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.257983 (E_RNA) where: Base-Base interactions energy: -514.426 where: short stacking energy: -278.374 Base-Backbone interact. energy: 5.044 local terms energy: -469.875334 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -122.899 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -60.975 tors. eta vs tors. theta energy: 10.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -875.487988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.487988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.487988 (E_RNA) where: Base-Base interactions energy: -396.330 where: short stacking energy: -220.672 Base-Backbone interact. energy: 1.925 local terms energy: -481.082668 where: bonds (distance) C4'-P energy: -160.960 bonds (distance) P-C4' energy: -156.620 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: 11.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2947.163643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.163643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.163643 (E_RNA) where: Base-Base interactions energy: -1997.325 where: short stacking energy: -904.663 Base-Backbone interact. energy: 0.088 local terms energy: -949.927217 where: bonds (distance) C4'-P energy: -178.074 bonds (distance) P-C4' energy: -188.731 flat angles C4'-P-C4' energy: -196.089 flat angles P-C4'-P energy: -136.465 tors. eta vs tors. theta energy: -250.569 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: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2693.892297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.892297 (E_RNA) where: Base-Base interactions energy: -1827.318 where: short stacking energy: -825.303 Base-Backbone interact. energy: -1.730 local terms energy: -864.844027 where: bonds (distance) C4'-P energy: -183.499 bonds (distance) P-C4' energy: -157.703 flat angles C4'-P-C4' energy: -202.751 flat angles P-C4'-P energy: -117.252 tors. eta vs tors. theta energy: -203.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2480.809883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.809883 (E_RNA) where: Base-Base interactions energy: -1639.900 where: short stacking energy: -773.636 Base-Backbone interact. energy: 1.234 local terms energy: -842.143228 where: bonds (distance) C4'-P energy: -156.245 bonds (distance) P-C4' energy: -164.855 flat angles C4'-P-C4' energy: -202.804 flat angles P-C4'-P energy: -118.509 tors. eta vs tors. theta energy: -199.730 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: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2266.402326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.402326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.402326 (E_RNA) where: Base-Base interactions energy: -1462.822 where: short stacking energy: -676.845 Base-Backbone interact. energy: -1.295 local terms energy: -802.285403 where: bonds (distance) C4'-P energy: -175.084 bonds (distance) P-C4' energy: -168.817 flat angles C4'-P-C4' energy: -174.056 flat angles P-C4'-P energy: -118.794 tors. eta vs tors. theta energy: -165.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2122.173477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.173477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.173477 (E_RNA) where: Base-Base interactions energy: -1353.805 where: short stacking energy: -618.405 Base-Backbone interact. energy: -3.030 local terms energy: -765.337934 where: bonds (distance) C4'-P energy: -167.093 bonds (distance) P-C4' energy: -171.832 flat angles C4'-P-C4' energy: -166.165 flat angles P-C4'-P energy: -111.092 tors. eta vs tors. theta energy: -149.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1898.755385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.755385 (E_RNA) where: Base-Base interactions energy: -1228.895 where: short stacking energy: -574.557 Base-Backbone interact. energy: 1.728 local terms energy: -671.588322 where: bonds (distance) C4'-P energy: -139.279 bonds (distance) P-C4' energy: -156.378 flat angles C4'-P-C4' energy: -154.476 flat angles P-C4'-P energy: -115.862 tors. eta vs tors. theta energy: -105.594 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: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1817.401631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.401631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.401631 (E_RNA) where: Base-Base interactions energy: -1164.800 where: short stacking energy: -579.208 Base-Backbone interact. energy: 2.934 local terms energy: -655.535769 where: bonds (distance) C4'-P energy: -129.423 bonds (distance) P-C4' energy: -147.906 flat angles C4'-P-C4' energy: -145.875 flat angles P-C4'-P energy: -114.228 tors. eta vs tors. theta energy: -118.104 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1439.102903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.102903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.102903 (E_RNA) where: Base-Base interactions energy: -864.080 where: short stacking energy: -403.003 Base-Backbone interact. energy: 7.824 local terms energy: -582.847385 where: bonds (distance) C4'-P energy: -139.151 bonds (distance) P-C4' energy: -168.848 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -83.096 tors. eta vs tors. theta energy: -46.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1051.921749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.921749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.921749 (E_RNA) where: Base-Base interactions energy: -564.758 where: short stacking energy: -303.271 Base-Backbone interact. energy: 5.185 local terms energy: -492.348481 where: bonds (distance) C4'-P energy: -132.034 bonds (distance) P-C4' energy: -158.551 flat angles C4'-P-C4' energy: -148.303 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -3.789 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: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -841.686613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.686613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.686613 (E_RNA) where: Base-Base interactions energy: -385.569 where: short stacking energy: -253.428 Base-Backbone interact. energy: 3.464 local terms energy: -459.581241 where: bonds (distance) C4'-P energy: -136.640 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -61.908 tors. eta vs tors. theta energy: 29.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2998.417855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.417855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.417855 (E_RNA) where: Base-Base interactions energy: -2023.416 where: short stacking energy: -915.820 Base-Backbone interact. energy: -2.509 local terms energy: -972.492873 where: bonds (distance) C4'-P energy: -176.936 bonds (distance) P-C4' energy: -180.334 flat angles C4'-P-C4' energy: -203.360 flat angles P-C4'-P energy: -144.124 tors. eta vs tors. theta energy: -267.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2717.512275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.512275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.512275 (E_RNA) where: Base-Base interactions energy: -1834.615 where: short stacking energy: -836.717 Base-Backbone interact. energy: -2.346 local terms energy: -880.552210 where: bonds (distance) C4'-P energy: -170.937 bonds (distance) P-C4' energy: -170.872 flat angles C4'-P-C4' energy: -194.306 flat angles P-C4'-P energy: -121.274 tors. eta vs tors. theta energy: -223.163 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: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2524.828639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.828639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.828639 (E_RNA) where: Base-Base interactions energy: -1702.787 where: short stacking energy: -766.200 Base-Backbone interact. energy: -1.450 local terms energy: -820.592093 where: bonds (distance) C4'-P energy: -146.803 bonds (distance) P-C4' energy: -164.149 flat angles C4'-P-C4' energy: -187.820 flat angles P-C4'-P energy: -115.144 tors. eta vs tors. theta energy: -206.677 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: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2206.315079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.315079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.315079 (E_RNA) where: Base-Base interactions energy: -1407.811 where: short stacking energy: -670.237 Base-Backbone interact. energy: -0.240 local terms energy: -798.263740 where: bonds (distance) C4'-P energy: -158.833 bonds (distance) P-C4' energy: -171.809 flat angles C4'-P-C4' energy: -192.544 flat angles P-C4'-P energy: -106.353 tors. eta vs tors. theta energy: -168.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2167.869036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.869036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.869036 (E_RNA) where: Base-Base interactions energy: -1415.111 where: short stacking energy: -649.917 Base-Backbone interact. energy: 0.319 local terms energy: -753.076564 where: bonds (distance) C4'-P energy: -157.881 bonds (distance) P-C4' energy: -182.037 flat angles C4'-P-C4' energy: -155.584 flat angles P-C4'-P energy: -102.550 tors. eta vs tors. theta energy: -155.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1924.730382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.730382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.730382 (E_RNA) where: Base-Base interactions energy: -1256.549 where: short stacking energy: -546.507 Base-Backbone interact. energy: -2.583 local terms energy: -665.599123 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -155.774 flat angles C4'-P-C4' energy: -157.679 flat angles P-C4'-P energy: -95.614 tors. eta vs tors. theta energy: -106.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1910.663440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.663440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.663440 (E_RNA) where: Base-Base interactions energy: -1195.104 where: short stacking energy: -562.539 Base-Backbone interact. energy: 7.456 local terms energy: -723.015755 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -159.379 flat angles C4'-P-C4' energy: -160.501 flat angles P-C4'-P energy: -107.188 tors. eta vs tors. theta energy: -149.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1417.119856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.119856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.119856 (E_RNA) where: Base-Base interactions energy: -824.214 where: short stacking energy: -381.869 Base-Backbone interact. energy: -1.677 local terms energy: -591.228780 where: bonds (distance) C4'-P energy: -147.556 bonds (distance) P-C4' energy: -154.670 flat angles C4'-P-C4' energy: -144.120 flat angles P-C4'-P energy: -97.940 tors. eta vs tors. theta energy: -46.943 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: 111 Temperature: 1.300000 Total energy: -1091.656974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.656974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.656974 (E_RNA) where: Base-Base interactions energy: -586.602 where: short stacking energy: -314.252 Base-Backbone interact. energy: -0.577 local terms energy: -504.478173 where: bonds (distance) C4'-P energy: -112.853 bonds (distance) P-C4' energy: -156.045 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -88.171 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -854.969485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.969485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.969485 (E_RNA) where: Base-Base interactions energy: -413.946 where: short stacking energy: -249.268 Base-Backbone interact. energy: 1.063 local terms energy: -442.086289 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -119.947 flat angles P-C4'-P energy: -63.887 tors. eta vs tors. theta energy: 13.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2985.023495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.023495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.023495 (E_RNA) where: Base-Base interactions energy: -2035.028 where: short stacking energy: -885.341 Base-Backbone interact. energy: -4.038 local terms energy: -945.957500 where: bonds (distance) C4'-P energy: -178.276 bonds (distance) P-C4' energy: -173.879 flat angles C4'-P-C4' energy: -195.082 flat angles P-C4'-P energy: -139.105 tors. eta vs tors. theta energy: -259.617 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: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2767.709436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.709436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.709436 (E_RNA) where: Base-Base interactions energy: -1868.991 where: short stacking energy: -841.805 Base-Backbone interact. energy: 0.641 local terms energy: -899.359125 where: bonds (distance) C4'-P energy: -172.085 bonds (distance) P-C4' energy: -184.631 flat angles C4'-P-C4' energy: -193.894 flat angles P-C4'-P energy: -125.208 tors. eta vs tors. theta energy: -223.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2470.309440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.309440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.309440 (E_RNA) where: Base-Base interactions energy: -1607.473 where: short stacking energy: -754.009 Base-Backbone interact. energy: 0.400 local terms energy: -863.236337 where: bonds (distance) C4'-P energy: -179.781 bonds (distance) P-C4' energy: -167.607 flat angles C4'-P-C4' energy: -204.901 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -186.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2212.737960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.737960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.737960 (E_RNA) where: Base-Base interactions energy: -1394.561 where: short stacking energy: -673.615 Base-Backbone interact. energy: -0.817 local terms energy: -817.359897 where: bonds (distance) C4'-P energy: -160.980 bonds (distance) P-C4' energy: -179.308 flat angles C4'-P-C4' energy: -198.575 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -164.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2186.015124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.015124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.015124 (E_RNA) where: Base-Base interactions energy: -1452.508 where: short stacking energy: -643.596 Base-Backbone interact. energy: -2.445 local terms energy: -731.062017 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -148.921 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -151.138 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: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1936.270144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.270144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.270144 (E_RNA) where: Base-Base interactions energy: -1258.056 where: short stacking energy: -562.122 Base-Backbone interact. energy: -3.039 local terms energy: -675.174494 where: bonds (distance) C4'-P energy: -170.492 bonds (distance) P-C4' energy: -139.444 flat angles C4'-P-C4' energy: -162.295 flat angles P-C4'-P energy: -95.919 tors. eta vs tors. theta energy: -107.024 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: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1849.896042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.896042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.896042 (E_RNA) where: Base-Base interactions energy: -1116.158 where: short stacking energy: -528.381 Base-Backbone interact. energy: -0.793 local terms energy: -732.944778 where: bonds (distance) C4'-P energy: -152.817 bonds (distance) P-C4' energy: -195.025 flat angles C4'-P-C4' energy: -161.700 flat angles P-C4'-P energy: -103.891 tors. eta vs tors. theta energy: -119.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1389.068922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.068922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.068922 (E_RNA) where: Base-Base interactions energy: -805.204 where: short stacking energy: -403.202 Base-Backbone interact. energy: 1.977 local terms energy: -585.842013 where: bonds (distance) C4'-P energy: -156.560 bonds (distance) P-C4' energy: -138.373 flat angles C4'-P-C4' energy: -144.976 flat angles P-C4'-P energy: -84.389 tors. eta vs tors. theta energy: -61.544 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: 112 Temperature: 1.300000 Total energy: -1123.260137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.260137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.260137 (E_RNA) where: Base-Base interactions energy: -584.950 where: short stacking energy: -317.649 Base-Backbone interact. energy: 4.460 local terms energy: -542.770006 where: bonds (distance) C4'-P energy: -139.269 bonds (distance) P-C4' energy: -154.778 flat angles C4'-P-C4' energy: -154.613 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -23.519 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: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -869.107275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.107275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.107275 (E_RNA) where: Base-Base interactions energy: -390.243 where: short stacking energy: -231.929 Base-Backbone interact. energy: -2.056 local terms energy: -476.808060 where: bonds (distance) C4'-P energy: -146.401 bonds (distance) P-C4' energy: -160.462 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -73.925 tors. eta vs tors. theta energy: 7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2987.408486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.408486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.408486 (E_RNA) where: Base-Base interactions energy: -2030.821 where: short stacking energy: -914.715 Base-Backbone interact. energy: -1.497 local terms energy: -955.090713 where: bonds (distance) C4'-P energy: -173.143 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -200.375 flat angles P-C4'-P energy: -142.491 tors. eta vs tors. theta energy: -261.794 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: 113 Temperature: 0.950000 Total energy: -2768.842426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.842426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.842426 (E_RNA) where: Base-Base interactions energy: -1869.135 where: short stacking energy: -834.911 Base-Backbone interact. energy: -2.285 local terms energy: -897.421923 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -182.499 flat angles C4'-P-C4' energy: -191.812 flat angles P-C4'-P energy: -140.772 tors. eta vs tors. theta energy: -220.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2464.743308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.743308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.743308 (E_RNA) where: Base-Base interactions energy: -1603.791 where: short stacking energy: -760.603 Base-Backbone interact. energy: -4.893 local terms energy: -856.058556 where: bonds (distance) C4'-P energy: -146.869 bonds (distance) P-C4' energy: -165.109 flat angles C4'-P-C4' energy: -195.058 flat angles P-C4'-P energy: -141.863 tors. eta vs tors. theta energy: -207.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2218.116725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.116725 (E_RNA) where: Base-Base interactions energy: -1451.539 where: short stacking energy: -691.218 Base-Backbone interact. energy: -5.093 local terms energy: -761.484454 where: bonds (distance) C4'-P energy: -158.839 bonds (distance) P-C4' energy: -156.019 flat angles C4'-P-C4' energy: -184.724 flat angles P-C4'-P energy: -98.492 tors. eta vs tors. theta energy: -163.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2213.557869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.557869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.557869 (E_RNA) where: Base-Base interactions energy: -1473.910 where: short stacking energy: -702.219 Base-Backbone interact. energy: -2.863 local terms energy: -736.785371 where: bonds (distance) C4'-P energy: -155.860 bonds (distance) P-C4' energy: -143.917 flat angles C4'-P-C4' energy: -163.103 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -182.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1993.363470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.363470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.363470 (E_RNA) where: Base-Base interactions energy: -1286.747 where: short stacking energy: -575.945 Base-Backbone interact. energy: 2.516 local terms energy: -709.132329 where: bonds (distance) C4'-P energy: -145.443 bonds (distance) P-C4' energy: -160.307 flat angles C4'-P-C4' energy: -169.673 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -125.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1761.533926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.533926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.533926 (E_RNA) where: Base-Base interactions energy: -1103.894 where: short stacking energy: -550.478 Base-Backbone interact. energy: -1.271 local terms energy: -656.368339 where: bonds (distance) C4'-P energy: -146.727 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -165.251 flat angles P-C4'-P energy: -95.161 tors. eta vs tors. theta energy: -113.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1481.578335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.578335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.578335 (E_RNA) where: Base-Base interactions energy: -874.692 where: short stacking energy: -432.664 Base-Backbone interact. energy: 1.377 local terms energy: -608.263464 where: bonds (distance) C4'-P energy: -156.040 bonds (distance) P-C4' energy: -147.551 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -69.370 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: 113 Temperature: 1.300000 Total energy: -1117.126068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.126068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.126068 (E_RNA) where: Base-Base interactions energy: -605.952 where: short stacking energy: -331.314 Base-Backbone interact. energy: 0.556 local terms energy: -511.729247 where: bonds (distance) C4'-P energy: -130.736 bonds (distance) P-C4' energy: -140.974 flat angles C4'-P-C4' energy: -141.040 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -18.775 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: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -830.542370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.542370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.542370 (E_RNA) where: Base-Base interactions energy: -388.381 where: short stacking energy: -245.215 Base-Backbone interact. energy: -4.060 local terms energy: -438.101251 where: bonds (distance) C4'-P energy: -131.517 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: 28.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3001.263178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.263178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.263178 (E_RNA) where: Base-Base interactions energy: -2031.077 where: short stacking energy: -924.183 Base-Backbone interact. energy: -4.027 local terms energy: -966.158845 where: bonds (distance) C4'-P energy: -173.805 bonds (distance) P-C4' energy: -184.549 flat angles C4'-P-C4' energy: -201.453 flat angles P-C4'-P energy: -142.717 tors. eta vs tors. theta energy: -263.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2793.899587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.899587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.899587 (E_RNA) where: Base-Base interactions energy: -1883.515 where: short stacking energy: -846.947 Base-Backbone interact. energy: -2.320 local terms energy: -908.065179 where: bonds (distance) C4'-P energy: -152.690 bonds (distance) P-C4' energy: -173.798 flat angles C4'-P-C4' energy: -200.484 flat angles P-C4'-P energy: -150.020 tors. eta vs tors. theta energy: -231.074 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: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2384.449951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.449951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.449951 (E_RNA) where: Base-Base interactions energy: -1520.822 where: short stacking energy: -731.484 Base-Backbone interact. energy: 0.883 local terms energy: -864.510519 where: bonds (distance) C4'-P energy: -177.062 bonds (distance) P-C4' energy: -181.816 flat angles C4'-P-C4' energy: -198.278 flat angles P-C4'-P energy: -116.382 tors. eta vs tors. theta energy: -190.973 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: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2357.350741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.350741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.350741 (E_RNA) where: Base-Base interactions energy: -1523.206 where: short stacking energy: -705.605 Base-Backbone interact. energy: -0.457 local terms energy: -833.687818 where: bonds (distance) C4'-P energy: -177.432 bonds (distance) P-C4' energy: -159.681 flat angles C4'-P-C4' energy: -192.938 flat angles P-C4'-P energy: -125.546 tors. eta vs tors. theta energy: -178.090 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: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2192.740093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.740093 (E_RNA) where: Base-Base interactions energy: -1422.274 where: short stacking energy: -667.611 Base-Backbone interact. energy: -1.812 local terms energy: -768.653622 where: bonds (distance) C4'-P energy: -161.208 bonds (distance) P-C4' energy: -178.222 flat angles C4'-P-C4' energy: -180.222 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -164.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1958.451707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.451707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.451707 (E_RNA) where: Base-Base interactions energy: -1253.146 where: short stacking energy: -541.219 Base-Backbone interact. energy: 2.313 local terms energy: -707.619006 where: bonds (distance) C4'-P energy: -148.674 bonds (distance) P-C4' energy: -171.891 flat angles C4'-P-C4' energy: -174.852 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -104.891 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: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1729.185568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.185568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.185568 (E_RNA) where: Base-Base interactions energy: -1051.851 where: short stacking energy: -498.061 Base-Backbone interact. energy: -1.574 local terms energy: -675.760754 where: bonds (distance) C4'-P energy: -157.450 bonds (distance) P-C4' energy: -164.173 flat angles C4'-P-C4' energy: -160.280 flat angles P-C4'-P energy: -78.873 tors. eta vs tors. theta energy: -114.985 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: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1531.157015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.157015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.157015 (E_RNA) where: Base-Base interactions energy: -909.981 where: short stacking energy: -453.255 Base-Backbone interact. energy: -3.789 local terms energy: -617.387303 where: bonds (distance) C4'-P energy: -155.494 bonds (distance) P-C4' energy: -154.550 flat angles C4'-P-C4' energy: -141.812 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -87.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1069.551955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.551955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.551955 (E_RNA) where: Base-Base interactions energy: -592.492 where: short stacking energy: -343.282 Base-Backbone interact. energy: 10.077 local terms energy: -487.137108 where: bonds (distance) C4'-P energy: -133.985 bonds (distance) P-C4' energy: -151.775 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -69.311 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -887.739027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.739027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.739027 (E_RNA) where: Base-Base interactions energy: -409.403 where: short stacking energy: -241.657 Base-Backbone interact. energy: 6.776 local terms energy: -485.111878 where: bonds (distance) C4'-P energy: -145.583 bonds (distance) P-C4' energy: -154.496 flat angles C4'-P-C4' energy: -119.790 flat angles P-C4'-P energy: -72.341 tors. eta vs tors. theta energy: 7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2969.190651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.190651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.190651 (E_RNA) where: Base-Base interactions energy: -2039.853 where: short stacking energy: -898.447 Base-Backbone interact. energy: -1.062 local terms energy: -928.275180 where: bonds (distance) C4'-P energy: -168.663 bonds (distance) P-C4' energy: -179.682 flat angles C4'-P-C4' energy: -193.194 flat angles P-C4'-P energy: -143.472 tors. eta vs tors. theta energy: -243.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2806.749014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.749014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.749014 (E_RNA) where: Base-Base interactions energy: -1903.700 where: short stacking energy: -847.570 Base-Backbone interact. energy: -5.529 local terms energy: -897.520032 where: bonds (distance) C4'-P energy: -177.904 bonds (distance) P-C4' energy: -178.840 flat angles C4'-P-C4' energy: -187.865 flat angles P-C4'-P energy: -125.556 tors. eta vs tors. theta energy: -227.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2351.323755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.323755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.323755 (E_RNA) where: Base-Base interactions energy: -1529.294 where: short stacking energy: -709.065 Base-Backbone interact. energy: -1.670 local terms energy: -820.359796 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -169.135 flat angles C4'-P-C4' energy: -196.533 flat angles P-C4'-P energy: -120.544 tors. eta vs tors. theta energy: -172.178 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2275.272044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.272044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.272044 (E_RNA) where: Base-Base interactions energy: -1484.470 where: short stacking energy: -711.288 Base-Backbone interact. energy: 1.552 local terms energy: -792.353999 where: bonds (distance) C4'-P energy: -137.863 bonds (distance) P-C4' energy: -183.053 flat angles C4'-P-C4' energy: -188.756 flat angles P-C4'-P energy: -105.228 tors. eta vs tors. theta energy: -177.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2179.927737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.927737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.927737 (E_RNA) where: Base-Base interactions energy: -1419.705 where: short stacking energy: -645.383 Base-Backbone interact. energy: 3.086 local terms energy: -763.308332 where: bonds (distance) C4'-P energy: -158.039 bonds (distance) P-C4' energy: -150.919 flat angles C4'-P-C4' energy: -187.153 flat angles P-C4'-P energy: -116.918 tors. eta vs tors. theta energy: -150.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2020.960488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.960488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.960488 (E_RNA) where: Base-Base interactions energy: -1335.274 where: short stacking energy: -572.267 Base-Backbone interact. energy: -4.117 local terms energy: -681.569454 where: bonds (distance) C4'-P energy: -173.542 bonds (distance) P-C4' energy: -133.068 flat angles C4'-P-C4' energy: -160.750 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -115.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1675.741679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.741679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.741679 (E_RNA) where: Base-Base interactions energy: -1055.111 where: short stacking energy: -502.410 Base-Backbone interact. energy: -0.048 local terms energy: -620.582695 where: bonds (distance) C4'-P energy: -147.666 bonds (distance) P-C4' energy: -158.812 flat angles C4'-P-C4' energy: -141.867 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -95.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1520.136318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.136318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.136318 (E_RNA) where: Base-Base interactions energy: -908.730 where: short stacking energy: -439.285 Base-Backbone interact. energy: -1.249 local terms energy: -610.157588 where: bonds (distance) C4'-P energy: -157.558 bonds (distance) P-C4' energy: -173.197 flat angles C4'-P-C4' energy: -151.137 flat angles P-C4'-P energy: -77.662 tors. eta vs tors. theta energy: -50.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1074.365210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.365210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.365210 (E_RNA) where: Base-Base interactions energy: -575.157 where: short stacking energy: -321.421 Base-Backbone interact. energy: 1.643 local terms energy: -500.851761 where: bonds (distance) C4'-P energy: -134.210 bonds (distance) P-C4' energy: -145.612 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -78.062 tors. eta vs tors. theta energy: -17.239 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: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -915.428194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.428194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.428194 (E_RNA) where: Base-Base interactions energy: -454.735 where: short stacking energy: -274.937 Base-Backbone interact. energy: 1.567 local terms energy: -462.260645 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -120.029 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: 10.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2969.168815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.168815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.168815 (E_RNA) where: Base-Base interactions energy: -2023.583 where: short stacking energy: -932.690 Base-Backbone interact. energy: -3.444 local terms energy: -942.141115 where: bonds (distance) C4'-P energy: -171.404 bonds (distance) P-C4' energy: -176.676 flat angles C4'-P-C4' energy: -195.524 flat angles P-C4'-P energy: -135.435 tors. eta vs tors. theta energy: -263.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2783.668715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.668715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.668715 (E_RNA) where: Base-Base interactions energy: -1896.283 where: short stacking energy: -819.567 Base-Backbone interact. energy: -4.607 local terms energy: -882.778839 where: bonds (distance) C4'-P energy: -171.268 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -206.151 flat angles P-C4'-P energy: -121.720 tors. eta vs tors. theta energy: -219.045 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: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2365.841829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.841829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.841829 (E_RNA) where: Base-Base interactions energy: -1515.079 where: short stacking energy: -712.885 Base-Backbone interact. energy: -2.303 local terms energy: -848.460484 where: bonds (distance) C4'-P energy: -172.075 bonds (distance) P-C4' energy: -186.740 flat angles C4'-P-C4' energy: -174.968 flat angles P-C4'-P energy: -116.863 tors. eta vs tors. theta energy: -197.815 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: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2300.364801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.364801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.364801 (E_RNA) where: Base-Base interactions energy: -1500.898 where: short stacking energy: -700.243 Base-Backbone interact. energy: 5.360 local terms energy: -804.826514 where: bonds (distance) C4'-P energy: -158.361 bonds (distance) P-C4' energy: -162.954 flat angles C4'-P-C4' energy: -179.378 flat angles P-C4'-P energy: -126.126 tors. eta vs tors. theta energy: -178.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2184.892231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.892231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.892231 (E_RNA) where: Base-Base interactions energy: -1426.962 where: short stacking energy: -659.767 Base-Backbone interact. energy: -2.187 local terms energy: -755.743828 where: bonds (distance) C4'-P energy: -159.861 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -168.250 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -169.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2030.806733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.806733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.806733 (E_RNA) where: Base-Base interactions energy: -1308.157 where: short stacking energy: -576.246 Base-Backbone interact. energy: 8.341 local terms energy: -730.990673 where: bonds (distance) C4'-P energy: -162.185 bonds (distance) P-C4' energy: -165.098 flat angles C4'-P-C4' energy: -169.570 flat angles P-C4'-P energy: -110.242 tors. eta vs tors. theta energy: -123.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1684.423484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.423484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.423484 (E_RNA) where: Base-Base interactions energy: -1054.565 where: short stacking energy: -516.662 Base-Backbone interact. energy: 1.689 local terms energy: -631.546901 where: bonds (distance) C4'-P energy: -132.278 bonds (distance) P-C4' energy: -152.419 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -90.350 tors. eta vs tors. theta energy: -101.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1579.096760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.096760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.096760 (E_RNA) where: Base-Base interactions energy: -997.597 where: short stacking energy: -480.269 Base-Backbone interact. energy: 1.116 local terms energy: -582.616374 where: bonds (distance) C4'-P energy: -127.465 bonds (distance) P-C4' energy: -153.226 flat angles C4'-P-C4' energy: -139.746 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -93.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1085.273258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.273258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.273258 (E_RNA) where: Base-Base interactions energy: -591.002 where: short stacking energy: -298.907 Base-Backbone interact. energy: 5.438 local terms energy: -499.708826 where: bonds (distance) C4'-P energy: -132.824 bonds (distance) P-C4' energy: -151.822 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -877.930777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.930777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.930777 (E_RNA) where: Base-Base interactions energy: -451.433 where: short stacking energy: -271.369 Base-Backbone interact. energy: 0.921 local terms energy: -427.418782 where: bonds (distance) C4'-P energy: -123.799 bonds (distance) P-C4' energy: -146.168 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: 1.892 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: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2967.954677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.954677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.954677 (E_RNA) where: Base-Base interactions energy: -1993.985 where: short stacking energy: -888.541 Base-Backbone interact. energy: -0.412 local terms energy: -973.557624 where: bonds (distance) C4'-P energy: -174.159 bonds (distance) P-C4' energy: -180.266 flat angles C4'-P-C4' energy: -204.491 flat angles P-C4'-P energy: -144.048 tors. eta vs tors. theta energy: -270.594 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: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2868.039552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.039552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.039552 (E_RNA) where: Base-Base interactions energy: -1940.851 where: short stacking energy: -857.391 Base-Backbone interact. energy: -2.261 local terms energy: -924.927616 where: bonds (distance) C4'-P energy: -186.406 bonds (distance) P-C4' energy: -174.420 flat angles C4'-P-C4' energy: -182.395 flat angles P-C4'-P energy: -149.387 tors. eta vs tors. theta energy: -232.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2426.686234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.686234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.686234 (E_RNA) where: Base-Base interactions energy: -1581.498 where: short stacking energy: -769.313 Base-Backbone interact. energy: 0.740 local terms energy: -845.928747 where: bonds (distance) C4'-P energy: -170.986 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -190.222 flat angles P-C4'-P energy: -124.714 tors. eta vs tors. theta energy: -203.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2283.269919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.269919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.269919 (E_RNA) where: Base-Base interactions energy: -1512.075 where: short stacking energy: -682.780 Base-Backbone interact. energy: 0.730 local terms energy: -771.924624 where: bonds (distance) C4'-P energy: -157.187 bonds (distance) P-C4' energy: -163.346 flat angles C4'-P-C4' energy: -168.293 flat angles P-C4'-P energy: -104.502 tors. eta vs tors. theta energy: -178.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2245.917877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.917877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.917877 (E_RNA) where: Base-Base interactions energy: -1466.944 where: short stacking energy: -664.537 Base-Backbone interact. energy: -1.243 local terms energy: -777.731052 where: bonds (distance) C4'-P energy: -158.065 bonds (distance) P-C4' energy: -180.874 flat angles C4'-P-C4' energy: -164.579 flat angles P-C4'-P energy: -116.420 tors. eta vs tors. theta energy: -157.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2052.472837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.472837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.472837 (E_RNA) where: Base-Base interactions energy: -1397.450 where: short stacking energy: -561.622 Base-Backbone interact. energy: -0.875 local terms energy: -654.147716 where: bonds (distance) C4'-P energy: -148.449 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -157.922 flat angles P-C4'-P energy: -77.175 tors. eta vs tors. theta energy: -122.161 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: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1740.820294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.820294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.820294 (E_RNA) where: Base-Base interactions energy: -1057.054 where: short stacking energy: -512.312 Base-Backbone interact. energy: -4.082 local terms energy: -679.685224 where: bonds (distance) C4'-P energy: -151.437 bonds (distance) P-C4' energy: -164.367 flat angles C4'-P-C4' energy: -164.726 flat angles P-C4'-P energy: -90.683 tors. eta vs tors. theta energy: -108.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1647.231362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.231362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.231362 (E_RNA) where: Base-Base interactions energy: -1034.650 where: short stacking energy: -495.106 Base-Backbone interact. energy: -1.552 local terms energy: -611.029009 where: bonds (distance) C4'-P energy: -127.644 bonds (distance) P-C4' energy: -155.482 flat angles C4'-P-C4' energy: -145.471 flat angles P-C4'-P energy: -89.863 tors. eta vs tors. theta energy: -92.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1044.207480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.207480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.207480 (E_RNA) where: Base-Base interactions energy: -536.251 where: short stacking energy: -283.041 Base-Backbone interact. energy: 1.452 local terms energy: -509.408249 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -123.339 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -830.041576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.041576 (E_RNA) where: Base-Base interactions energy: -363.194 where: short stacking energy: -250.852 Base-Backbone interact. energy: 6.275 local terms energy: -473.123155 where: bonds (distance) C4'-P energy: -142.331 bonds (distance) P-C4' energy: -157.807 flat angles C4'-P-C4' energy: -119.129 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: 7.779 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: 118 Temperature: 0.900000 Total energy: -2947.196559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.196559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.196559 (E_RNA) where: Base-Base interactions energy: -2027.831 where: short stacking energy: -912.078 Base-Backbone interact. energy: 0.873 local terms energy: -920.238274 where: bonds (distance) C4'-P energy: -175.466 bonds (distance) P-C4' energy: -166.580 flat angles C4'-P-C4' energy: -193.823 flat angles P-C4'-P energy: -133.314 tors. eta vs tors. theta energy: -251.056 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: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2816.020544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.020544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.020544 (E_RNA) where: Base-Base interactions energy: -1906.040 where: short stacking energy: -840.825 Base-Backbone interact. energy: 1.049 local terms energy: -911.029734 where: bonds (distance) C4'-P energy: -155.129 bonds (distance) P-C4' energy: -196.075 flat angles C4'-P-C4' energy: -192.165 flat angles P-C4'-P energy: -124.079 tors. eta vs tors. theta energy: -243.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2384.509938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.509938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.509938 (E_RNA) where: Base-Base interactions energy: -1575.078 where: short stacking energy: -724.205 Base-Backbone interact. energy: -4.287 local terms energy: -805.144117 where: bonds (distance) C4'-P energy: -176.784 bonds (distance) P-C4' energy: -158.881 flat angles C4'-P-C4' energy: -164.046 flat angles P-C4'-P energy: -123.124 tors. eta vs tors. theta energy: -182.309 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2245.490167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.490167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.490167 (E_RNA) where: Base-Base interactions energy: -1473.060 where: short stacking energy: -698.194 Base-Backbone interact. energy: -3.086 local terms energy: -769.344328 where: bonds (distance) C4'-P energy: -156.150 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -173.704 flat angles P-C4'-P energy: -100.823 tors. eta vs tors. theta energy: -180.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2214.021945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.021945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.021945 (E_RNA) where: Base-Base interactions energy: -1507.322 where: short stacking energy: -647.779 Base-Backbone interact. energy: -0.756 local terms energy: -705.944156 where: bonds (distance) C4'-P energy: -153.171 bonds (distance) P-C4' energy: -170.529 flat angles C4'-P-C4' energy: -161.220 flat angles P-C4'-P energy: -76.748 tors. eta vs tors. theta energy: -144.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2124.837134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.837134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.837134 (E_RNA) where: Base-Base interactions energy: -1400.745 where: short stacking energy: -624.453 Base-Backbone interact. energy: 2.750 local terms energy: -726.842586 where: bonds (distance) C4'-P energy: -157.508 bonds (distance) P-C4' energy: -145.358 flat angles C4'-P-C4' energy: -157.611 flat angles P-C4'-P energy: -112.495 tors. eta vs tors. theta energy: -153.871 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: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1796.431397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.431397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.431397 (E_RNA) where: Base-Base interactions energy: -1153.185 where: short stacking energy: -575.305 Base-Backbone interact. energy: 0.976 local terms energy: -644.222536 where: bonds (distance) C4'-P energy: -148.586 bonds (distance) P-C4' energy: -150.196 flat angles C4'-P-C4' energy: -135.152 flat angles P-C4'-P energy: -99.458 tors. eta vs tors. theta energy: -110.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1705.518219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.518219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.518219 (E_RNA) where: Base-Base interactions energy: -1049.145 where: short stacking energy: -482.628 Base-Backbone interact. energy: -0.235 local terms energy: -656.137702 where: bonds (distance) C4'-P energy: -158.531 bonds (distance) P-C4' energy: -160.328 flat angles C4'-P-C4' energy: -152.142 flat angles P-C4'-P energy: -101.632 tors. eta vs tors. theta energy: -83.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1008.379453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.379453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.379453 (E_RNA) where: Base-Base interactions energy: -513.720 where: short stacking energy: -319.183 Base-Backbone interact. energy: -3.481 local terms energy: -491.178583 where: bonds (distance) C4'-P energy: -156.108 bonds (distance) P-C4' energy: -135.045 flat angles C4'-P-C4' energy: -125.317 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -9.800 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: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -823.115206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.115206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.115206 (E_RNA) where: Base-Base interactions energy: -356.711 where: short stacking energy: -216.411 Base-Backbone interact. energy: -0.415 local terms energy: -465.989158 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -142.072 flat angles C4'-P-C4' energy: -118.941 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: 24.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2984.484400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.484400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.484400 (E_RNA) where: Base-Base interactions energy: -2047.009 where: short stacking energy: -909.805 Base-Backbone interact. energy: -2.702 local terms energy: -934.772974 where: bonds (distance) C4'-P energy: -185.849 bonds (distance) P-C4' energy: -167.273 flat angles C4'-P-C4' energy: -193.413 flat angles P-C4'-P energy: -133.387 tors. eta vs tors. theta energy: -254.851 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2851.990129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.990129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.990129 (E_RNA) where: Base-Base interactions energy: -1937.163 where: short stacking energy: -855.962 Base-Backbone interact. energy: -0.602 local terms energy: -914.224945 where: bonds (distance) C4'-P energy: -184.154 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -187.786 flat angles P-C4'-P energy: -124.633 tors. eta vs tors. theta energy: -240.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2420.223055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.223055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.223055 (E_RNA) where: Base-Base interactions energy: -1567.440 where: short stacking energy: -766.713 Base-Backbone interact. energy: -4.476 local terms energy: -848.306392 where: bonds (distance) C4'-P energy: -173.917 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -197.582 flat angles P-C4'-P energy: -121.581 tors. eta vs tors. theta energy: -196.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2326.240434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.240434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.240434 (E_RNA) where: Base-Base interactions energy: -1576.725 where: short stacking energy: -668.279 Base-Backbone interact. energy: -1.260 local terms energy: -748.255086 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -170.588 flat angles C4'-P-C4' energy: -189.315 flat angles P-C4'-P energy: -122.896 tors. eta vs tors. theta energy: -123.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2201.643413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.643413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.643413 (E_RNA) where: Base-Base interactions energy: -1421.803 where: short stacking energy: -681.140 Base-Backbone interact. energy: -0.957 local terms energy: -778.882763 where: bonds (distance) C4'-P energy: -165.636 bonds (distance) P-C4' energy: -169.294 flat angles C4'-P-C4' energy: -154.540 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -174.112 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: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2071.889242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.889242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.889242 (E_RNA) where: Base-Base interactions energy: -1293.954 where: short stacking energy: -587.297 Base-Backbone interact. energy: -0.967 local terms energy: -776.968277 where: bonds (distance) C4'-P energy: -160.898 bonds (distance) P-C4' energy: -167.628 flat angles C4'-P-C4' energy: -159.670 flat angles P-C4'-P energy: -118.995 tors. eta vs tors. theta energy: -169.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1858.880941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.880941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.880941 (E_RNA) where: Base-Base interactions energy: -1165.654 where: short stacking energy: -551.440 Base-Backbone interact. energy: 0.058 local terms energy: -693.284292 where: bonds (distance) C4'-P energy: -135.738 bonds (distance) P-C4' energy: -165.446 flat angles C4'-P-C4' energy: -158.518 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -127.730 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1679.253712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.253712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.253712 (E_RNA) where: Base-Base interactions energy: -1051.971 where: short stacking energy: -509.037 Base-Backbone interact. energy: -3.731 local terms energy: -623.551819 where: bonds (distance) C4'-P energy: -141.339 bonds (distance) P-C4' energy: -160.391 flat angles C4'-P-C4' energy: -146.931 flat angles P-C4'-P energy: -74.987 tors. eta vs tors. theta energy: -99.905 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: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1006.236686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.236686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.236686 (E_RNA) where: Base-Base interactions energy: -509.926 where: short stacking energy: -314.493 Base-Backbone interact. energy: -0.944 local terms energy: -495.366559 where: bonds (distance) C4'-P energy: -121.210 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -128.457 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -10.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -908.646168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.646168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.646168 (E_RNA) where: Base-Base interactions energy: -441.685 where: short stacking energy: -266.474 Base-Backbone interact. energy: 3.837 local terms energy: -470.798302 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -137.308 flat angles C4'-P-C4' energy: -113.514 flat angles P-C4'-P energy: -86.446 tors. eta vs tors. theta energy: 4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3005.783624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.783624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.783624 (E_RNA) where: Base-Base interactions energy: -2051.477 where: short stacking energy: -921.013 Base-Backbone interact. energy: 1.170 local terms energy: -955.476530 where: bonds (distance) C4'-P energy: -170.291 bonds (distance) P-C4' energy: -183.378 flat angles C4'-P-C4' energy: -201.361 flat angles P-C4'-P energy: -133.471 tors. eta vs tors. theta energy: -266.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2796.055267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.055267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.055267 (E_RNA) where: Base-Base interactions energy: -1927.191 where: short stacking energy: -859.311 Base-Backbone interact. energy: -0.096 local terms energy: -868.767929 where: bonds (distance) C4'-P energy: -157.342 bonds (distance) P-C4' energy: -159.226 flat angles C4'-P-C4' energy: -189.239 flat angles P-C4'-P energy: -132.465 tors. eta vs tors. theta energy: -230.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2458.578002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.578002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.578002 (E_RNA) where: Base-Base interactions energy: -1615.914 where: short stacking energy: -745.476 Base-Backbone interact. energy: -1.198 local terms energy: -841.465548 where: bonds (distance) C4'-P energy: -154.750 bonds (distance) P-C4' energy: -187.498 flat angles C4'-P-C4' energy: -183.473 flat angles P-C4'-P energy: -122.906 tors. eta vs tors. theta energy: -192.839 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: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2390.842260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.842260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.842260 (E_RNA) where: Base-Base interactions energy: -1607.331 where: short stacking energy: -689.856 Base-Backbone interact. energy: -2.323 local terms energy: -781.188577 where: bonds (distance) C4'-P energy: -160.475 bonds (distance) P-C4' energy: -171.622 flat angles C4'-P-C4' energy: -168.937 flat angles P-C4'-P energy: -128.052 tors. eta vs tors. theta energy: -152.102 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: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2159.296881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.296881 (E_RNA) where: Base-Base interactions energy: -1447.936 where: short stacking energy: -651.625 Base-Backbone interact. energy: -3.089 local terms energy: -708.271391 where: bonds (distance) C4'-P energy: -141.485 bonds (distance) P-C4' energy: -156.795 flat angles C4'-P-C4' energy: -176.168 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -151.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2076.947835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.947835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.947835 (E_RNA) where: Base-Base interactions energy: -1356.965 where: short stacking energy: -601.131 Base-Backbone interact. energy: 3.972 local terms energy: -723.954633 where: bonds (distance) C4'-P energy: -170.416 bonds (distance) P-C4' energy: -168.490 flat angles C4'-P-C4' energy: -169.856 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -129.016 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: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1903.403166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.403166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.403166 (E_RNA) where: Base-Base interactions energy: -1206.411 where: short stacking energy: -556.596 Base-Backbone interact. energy: 1.898 local terms energy: -698.890226 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -182.671 flat angles C4'-P-C4' energy: -166.713 flat angles P-C4'-P energy: -98.643 tors. eta vs tors. theta energy: -116.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1714.191550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.191550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.191550 (E_RNA) where: Base-Base interactions energy: -1079.608 where: short stacking energy: -523.946 Base-Backbone interact. energy: 2.802 local terms energy: -637.385653 where: bonds (distance) C4'-P energy: -144.174 bonds (distance) P-C4' energy: -157.223 flat angles C4'-P-C4' energy: -155.874 flat angles P-C4'-P energy: -76.851 tors. eta vs tors. theta energy: -103.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -973.516130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.516130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.516130 (E_RNA) where: Base-Base interactions energy: -470.329 where: short stacking energy: -280.158 Base-Backbone interact. energy: -0.837 local terms energy: -502.350156 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -150.666 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -89.671 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -891.560209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.560209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.560209 (E_RNA) where: Base-Base interactions energy: -412.113 where: short stacking energy: -272.946 Base-Backbone interact. energy: -2.237 local terms energy: -477.210260 where: bonds (distance) C4'-P energy: -129.692 bonds (distance) P-C4' energy: -139.192 flat angles C4'-P-C4' energy: -138.201 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: 4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2981.702633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.702633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.702633 (E_RNA) where: Base-Base interactions energy: -2022.190 where: short stacking energy: -921.302 Base-Backbone interact. energy: -0.997 local terms energy: -958.514798 where: bonds (distance) C4'-P energy: -182.389 bonds (distance) P-C4' energy: -175.053 flat angles C4'-P-C4' energy: -202.424 flat angles P-C4'-P energy: -131.206 tors. eta vs tors. theta energy: -267.443 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2775.872569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.872569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.872569 (E_RNA) where: Base-Base interactions energy: -1890.896 where: short stacking energy: -813.634 Base-Backbone interact. energy: 2.849 local terms energy: -887.825393 where: bonds (distance) C4'-P energy: -178.283 bonds (distance) P-C4' energy: -156.775 flat angles C4'-P-C4' energy: -191.046 flat angles P-C4'-P energy: -134.958 tors. eta vs tors. theta energy: -226.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2480.192467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.192467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.192467 (E_RNA) where: Base-Base interactions energy: -1653.538 where: short stacking energy: -754.015 Base-Backbone interact. energy: 0.805 local terms energy: -827.459814 where: bonds (distance) C4'-P energy: -147.770 bonds (distance) P-C4' energy: -163.286 flat angles C4'-P-C4' energy: -182.140 flat angles P-C4'-P energy: -130.086 tors. eta vs tors. theta energy: -204.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2400.299093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.299093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.299093 (E_RNA) where: Base-Base interactions energy: -1654.110 where: short stacking energy: -705.639 Base-Backbone interact. energy: 2.237 local terms energy: -748.426381 where: bonds (distance) C4'-P energy: -159.548 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -160.954 flat angles P-C4'-P energy: -109.872 tors. eta vs tors. theta energy: -157.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2123.952540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.952540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.952540 (E_RNA) where: Base-Base interactions energy: -1365.383 where: short stacking energy: -628.228 Base-Backbone interact. energy: -2.116 local terms energy: -756.453588 where: bonds (distance) C4'-P energy: -165.954 bonds (distance) P-C4' energy: -166.315 flat angles C4'-P-C4' energy: -171.840 flat angles P-C4'-P energy: -112.293 tors. eta vs tors. theta energy: -140.053 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: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2064.741613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.741613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.741613 (E_RNA) where: Base-Base interactions energy: -1347.426 where: short stacking energy: -627.277 Base-Backbone interact. energy: 0.816 local terms energy: -718.131193 where: bonds (distance) C4'-P energy: -160.006 bonds (distance) P-C4' energy: -144.297 flat angles C4'-P-C4' energy: -171.113 flat angles P-C4'-P energy: -100.600 tors. eta vs tors. theta energy: -142.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1916.132039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.132039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.132039 (E_RNA) where: Base-Base interactions energy: -1238.076 where: short stacking energy: -553.869 Base-Backbone interact. energy: 0.621 local terms energy: -678.677696 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -162.942 flat angles C4'-P-C4' energy: -143.969 flat angles P-C4'-P energy: -111.681 tors. eta vs tors. theta energy: -131.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1683.937694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.937694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.937694 (E_RNA) where: Base-Base interactions energy: -1074.754 where: short stacking energy: -479.959 Base-Backbone interact. energy: -1.340 local terms energy: -607.843137 where: bonds (distance) C4'-P energy: -131.063 bonds (distance) P-C4' energy: -165.146 flat angles C4'-P-C4' energy: -128.143 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -98.162 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: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1000.416409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.416409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.416409 (E_RNA) where: Base-Base interactions energy: -488.918 where: short stacking energy: -277.620 Base-Backbone interact. energy: 0.143 local terms energy: -511.641172 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -154.294 flat angles C4'-P-C4' energy: -139.575 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -822.226867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.226867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.226867 (E_RNA) where: Base-Base interactions energy: -370.827 where: short stacking energy: -239.187 Base-Backbone interact. energy: 3.727 local terms energy: -455.126718 where: bonds (distance) C4'-P energy: -116.959 bonds (distance) P-C4' energy: -156.106 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: 17.607 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: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2993.394127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.394127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.394127 (E_RNA) where: Base-Base interactions energy: -2021.952 where: short stacking energy: -915.734 Base-Backbone interact. energy: -2.711 local terms energy: -968.730744 where: bonds (distance) C4'-P energy: -178.059 bonds (distance) P-C4' energy: -185.547 flat angles C4'-P-C4' energy: -196.386 flat angles P-C4'-P energy: -132.003 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: 122 Temperature: 0.950000 Total energy: -2771.277550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.277550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.277550 (E_RNA) where: Base-Base interactions energy: -1891.329 where: short stacking energy: -834.508 Base-Backbone interact. energy: -2.981 local terms energy: -876.967221 where: bonds (distance) C4'-P energy: -175.125 bonds (distance) P-C4' energy: -172.612 flat angles C4'-P-C4' energy: -194.354 flat angles P-C4'-P energy: -122.290 tors. eta vs tors. theta energy: -212.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2482.026713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.026713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.026713 (E_RNA) where: Base-Base interactions energy: -1628.245 where: short stacking energy: -771.811 Base-Backbone interact. energy: 3.058 local terms energy: -856.839829 where: bonds (distance) C4'-P energy: -162.885 bonds (distance) P-C4' energy: -175.733 flat angles C4'-P-C4' energy: -171.662 flat angles P-C4'-P energy: -129.782 tors. eta vs tors. theta energy: -216.777 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2413.816942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.816942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.816942 (E_RNA) where: Base-Base interactions energy: -1654.195 where: short stacking energy: -720.810 Base-Backbone interact. energy: -1.955 local terms energy: -757.666412 where: bonds (distance) C4'-P energy: -154.002 bonds (distance) P-C4' energy: -160.822 flat angles C4'-P-C4' energy: -167.911 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -174.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2177.512055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.512055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.512055 (E_RNA) where: Base-Base interactions energy: -1409.018 where: short stacking energy: -656.518 Base-Backbone interact. energy: -4.700 local terms energy: -763.794326 where: bonds (distance) C4'-P energy: -155.780 bonds (distance) P-C4' energy: -161.107 flat angles C4'-P-C4' energy: -166.656 flat angles P-C4'-P energy: -119.691 tors. eta vs tors. theta energy: -160.560 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: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2036.061351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.061351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.061351 (E_RNA) where: Base-Base interactions energy: -1342.992 where: short stacking energy: -634.568 Base-Backbone interact. energy: 1.427 local terms energy: -694.496809 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -140.694 flat angles C4'-P-C4' energy: -170.515 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -142.596 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: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1937.191063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.191063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.191063 (E_RNA) where: Base-Base interactions energy: -1249.794 where: short stacking energy: -584.297 Base-Backbone interact. energy: -4.149 local terms energy: -683.247569 where: bonds (distance) C4'-P energy: -144.299 bonds (distance) P-C4' energy: -155.898 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -90.999 tors. eta vs tors. theta energy: -138.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1621.668257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.668257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.668257 (E_RNA) where: Base-Base interactions energy: -1024.283 where: short stacking energy: -486.251 Base-Backbone interact. energy: -3.324 local terms energy: -594.061989 where: bonds (distance) C4'-P energy: -157.267 bonds (distance) P-C4' energy: -145.223 flat angles C4'-P-C4' energy: -127.112 flat angles P-C4'-P energy: -82.689 tors. eta vs tors. theta energy: -81.771 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: 122 Temperature: 1.300000 Total energy: -1013.053078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.053078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.053078 (E_RNA) where: Base-Base interactions energy: -467.189 where: short stacking energy: -271.941 Base-Backbone interact. energy: 3.602 local terms energy: -549.465828 where: bonds (distance) C4'-P energy: -169.349 bonds (distance) P-C4' energy: -151.734 flat angles C4'-P-C4' energy: -141.439 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -23.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -889.947623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.947623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.947623 (E_RNA) where: Base-Base interactions energy: -414.423 where: short stacking energy: -261.461 Base-Backbone interact. energy: 1.521 local terms energy: -477.045597 where: bonds (distance) C4'-P energy: -133.731 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -88.100 tors. eta vs tors. theta energy: 14.007 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: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2966.284142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.284142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.284142 (E_RNA) where: Base-Base interactions energy: -1987.713 where: short stacking energy: -940.707 Base-Backbone interact. energy: 0.759 local terms energy: -979.330762 where: bonds (distance) C4'-P energy: -179.441 bonds (distance) P-C4' energy: -188.727 flat angles C4'-P-C4' energy: -198.105 flat angles P-C4'-P energy: -139.130 tors. eta vs tors. theta energy: -273.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2742.584353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.584353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.584353 (E_RNA) where: Base-Base interactions energy: -1874.651 where: short stacking energy: -836.169 Base-Backbone interact. energy: -0.743 local terms energy: -867.190675 where: bonds (distance) C4'-P energy: -159.098 bonds (distance) P-C4' energy: -174.721 flat angles C4'-P-C4' energy: -191.179 flat angles P-C4'-P energy: -124.231 tors. eta vs tors. theta energy: -217.962 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: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2514.824148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.824148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.824148 (E_RNA) where: Base-Base interactions energy: -1657.602 where: short stacking energy: -781.637 Base-Backbone interact. energy: -6.287 local terms energy: -850.935359 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -173.604 flat angles C4'-P-C4' energy: -189.506 flat angles P-C4'-P energy: -114.899 tors. eta vs tors. theta energy: -220.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2442.747176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.747176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.747176 (E_RNA) where: Base-Base interactions energy: -1646.878 where: short stacking energy: -743.897 Base-Backbone interact. energy: -1.900 local terms energy: -793.969346 where: bonds (distance) C4'-P energy: -154.121 bonds (distance) P-C4' energy: -159.201 flat angles C4'-P-C4' energy: -192.577 flat angles P-C4'-P energy: -107.346 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: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2143.046000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.046000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.046000 (E_RNA) where: Base-Base interactions energy: -1390.075 where: short stacking energy: -643.358 Base-Backbone interact. energy: 5.766 local terms energy: -758.736567 where: bonds (distance) C4'-P energy: -157.075 bonds (distance) P-C4' energy: -176.203 flat angles C4'-P-C4' energy: -165.226 flat angles P-C4'-P energy: -110.505 tors. eta vs tors. theta energy: -149.727 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: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2104.996154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.996154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.996154 (E_RNA) where: Base-Base interactions energy: -1327.687 where: short stacking energy: -621.857 Base-Backbone interact. energy: -4.704 local terms energy: -772.604772 where: bonds (distance) C4'-P energy: -158.489 bonds (distance) P-C4' energy: -163.521 flat angles C4'-P-C4' energy: -181.995 flat angles P-C4'-P energy: -107.200 tors. eta vs tors. theta energy: -161.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1879.360852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.360852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.360852 (E_RNA) where: Base-Base interactions energy: -1220.040 where: short stacking energy: -566.908 Base-Backbone interact. energy: -0.913 local terms energy: -658.407738 where: bonds (distance) C4'-P energy: -140.186 bonds (distance) P-C4' energy: -158.892 flat angles C4'-P-C4' energy: -153.843 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -121.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1671.416398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.416398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.416398 (E_RNA) where: Base-Base interactions energy: -1053.308 where: short stacking energy: -483.864 Base-Backbone interact. energy: -1.912 local terms energy: -616.196627 where: bonds (distance) C4'-P energy: -137.195 bonds (distance) P-C4' energy: -152.648 flat angles C4'-P-C4' energy: -164.197 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -80.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -982.066527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.066527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.066527 (E_RNA) where: Base-Base interactions energy: -494.107 where: short stacking energy: -275.160 Base-Backbone interact. energy: 3.506 local terms energy: -491.465463 where: bonds (distance) C4'-P energy: -147.744 bonds (distance) P-C4' energy: -150.585 flat angles C4'-P-C4' energy: -122.930 flat angles P-C4'-P energy: -70.386 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -874.687646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.687646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.687646 (E_RNA) where: Base-Base interactions energy: -429.519 where: short stacking energy: -247.769 Base-Backbone interact. energy: -0.679 local terms energy: -444.489575 where: bonds (distance) C4'-P energy: -128.003 bonds (distance) P-C4' energy: -141.210 flat angles C4'-P-C4' energy: -118.779 flat angles P-C4'-P energy: -58.200 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2981.649945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.649945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.649945 (E_RNA) where: Base-Base interactions energy: -2007.452 where: short stacking energy: -939.186 Base-Backbone interact. energy: 2.592 local terms energy: -976.790465 where: bonds (distance) C4'-P energy: -181.310 bonds (distance) P-C4' energy: -179.922 flat angles C4'-P-C4' energy: -203.781 flat angles P-C4'-P energy: -147.564 tors. eta vs tors. theta energy: -264.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2721.006285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.006285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.006285 (E_RNA) where: Base-Base interactions energy: -1831.479 where: short stacking energy: -818.547 Base-Backbone interact. energy: -1.224 local terms energy: -888.303260 where: bonds (distance) C4'-P energy: -176.196 bonds (distance) P-C4' energy: -166.581 flat angles C4'-P-C4' energy: -192.962 flat angles P-C4'-P energy: -128.515 tors. eta vs tors. theta energy: -224.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2518.113935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.113935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.113935 (E_RNA) where: Base-Base interactions energy: -1667.838 where: short stacking energy: -765.273 Base-Backbone interact. energy: 4.460 local terms energy: -854.735707 where: bonds (distance) C4'-P energy: -152.114 bonds (distance) P-C4' energy: -162.889 flat angles C4'-P-C4' energy: -205.738 flat angles P-C4'-P energy: -123.344 tors. eta vs tors. theta energy: -210.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2429.920396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.920396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.920396 (E_RNA) where: Base-Base interactions energy: -1671.251 where: short stacking energy: -725.228 Base-Backbone interact. energy: 2.045 local terms energy: -760.714692 where: bonds (distance) C4'-P energy: -147.315 bonds (distance) P-C4' energy: -148.101 flat angles C4'-P-C4' energy: -167.646 flat angles P-C4'-P energy: -126.380 tors. eta vs tors. theta energy: -171.272 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: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2142.948205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.948205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.948205 (E_RNA) where: Base-Base interactions energy: -1392.064 where: short stacking energy: -649.992 Base-Backbone interact. energy: -2.033 local terms energy: -748.852032 where: bonds (distance) C4'-P energy: -155.228 bonds (distance) P-C4' energy: -169.063 flat angles C4'-P-C4' energy: -159.643 flat angles P-C4'-P energy: -105.517 tors. eta vs tors. theta energy: -159.402 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: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2075.043368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.043368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.043368 (E_RNA) where: Base-Base interactions energy: -1355.114 where: short stacking energy: -622.367 Base-Backbone interact. energy: -2.567 local terms energy: -717.362882 where: bonds (distance) C4'-P energy: -145.740 bonds (distance) P-C4' energy: -153.043 flat angles C4'-P-C4' energy: -167.589 flat angles P-C4'-P energy: -108.124 tors. eta vs tors. theta energy: -142.867 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: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1878.484759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.484759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.484759 (E_RNA) where: Base-Base interactions energy: -1212.812 where: short stacking energy: -562.037 Base-Backbone interact. energy: -1.852 local terms energy: -663.820270 where: bonds (distance) C4'-P energy: -123.551 bonds (distance) P-C4' energy: -149.842 flat angles C4'-P-C4' energy: -156.452 flat angles P-C4'-P energy: -100.422 tors. eta vs tors. theta energy: -133.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1646.861506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.861506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.861506 (E_RNA) where: Base-Base interactions energy: -1065.045 where: short stacking energy: -462.625 Base-Backbone interact. energy: -1.502 local terms energy: -580.314529 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -139.692 flat angles P-C4'-P energy: -78.485 tors. eta vs tors. theta energy: -78.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1001.035260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.035260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.035260 (E_RNA) where: Base-Base interactions energy: -504.973 where: short stacking energy: -274.151 Base-Backbone interact. energy: 4.442 local terms energy: -500.503521 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -159.282 flat angles C4'-P-C4' energy: -139.667 flat angles P-C4'-P energy: -78.252 tors. eta vs tors. theta energy: 1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -877.072020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.072020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.072020 (E_RNA) where: Base-Base interactions energy: -383.219 where: short stacking energy: -246.653 Base-Backbone interact. energy: 0.019 local terms energy: -493.872606 where: bonds (distance) C4'-P energy: -158.336 bonds (distance) P-C4' energy: -140.253 flat angles C4'-P-C4' energy: -134.975 flat angles P-C4'-P energy: -70.122 tors. eta vs tors. theta energy: 9.813 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: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2986.302886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.302886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.302886 (E_RNA) where: Base-Base interactions energy: -2010.179 where: short stacking energy: -931.214 Base-Backbone interact. energy: -0.990 local terms energy: -975.133591 where: bonds (distance) C4'-P energy: -162.224 bonds (distance) P-C4' energy: -193.583 flat angles C4'-P-C4' energy: -202.896 flat angles P-C4'-P energy: -155.568 tors. eta vs tors. theta energy: -260.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2668.740238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.740238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.740238 (E_RNA) where: Base-Base interactions energy: -1798.041 where: short stacking energy: -796.325 Base-Backbone interact. energy: -3.216 local terms energy: -867.482763 where: bonds (distance) C4'-P energy: -191.301 bonds (distance) P-C4' energy: -162.295 flat angles C4'-P-C4' energy: -191.469 flat angles P-C4'-P energy: -116.597 tors. eta vs tors. theta energy: -205.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2504.787912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.787912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.787912 (E_RNA) where: Base-Base interactions energy: -1642.161 where: short stacking energy: -748.767 Base-Backbone interact. energy: -0.891 local terms energy: -861.736075 where: bonds (distance) C4'-P energy: -173.914 bonds (distance) P-C4' energy: -176.367 flat angles C4'-P-C4' energy: -193.089 flat angles P-C4'-P energy: -114.079 tors. eta vs tors. theta energy: -204.287 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2542.530391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.530391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.530391 (E_RNA) where: Base-Base interactions energy: -1716.120 where: short stacking energy: -755.593 Base-Backbone interact. energy: -3.522 local terms energy: -822.888708 where: bonds (distance) C4'-P energy: -157.375 bonds (distance) P-C4' energy: -165.918 flat angles C4'-P-C4' energy: -179.879 flat angles P-C4'-P energy: -135.463 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: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2160.716994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.716994 (E_RNA) where: Base-Base interactions energy: -1412.310 where: short stacking energy: -649.302 Base-Backbone interact. energy: -6.087 local terms energy: -742.319991 where: bonds (distance) C4'-P energy: -173.115 bonds (distance) P-C4' energy: -157.434 flat angles C4'-P-C4' energy: -162.878 flat angles P-C4'-P energy: -98.261 tors. eta vs tors. theta energy: -150.632 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2085.068432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.068432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.068432 (E_RNA) where: Base-Base interactions energy: -1371.029 where: short stacking energy: -632.231 Base-Backbone interact. energy: -0.384 local terms energy: -713.655902 where: bonds (distance) C4'-P energy: -136.617 bonds (distance) P-C4' energy: -154.207 flat angles C4'-P-C4' energy: -180.225 flat angles P-C4'-P energy: -105.920 tors. eta vs tors. theta energy: -136.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1908.641748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.641748 (E_RNA) where: Base-Base interactions energy: -1252.880 where: short stacking energy: -597.240 Base-Backbone interact. energy: -4.282 local terms energy: -651.480275 where: bonds (distance) C4'-P energy: -157.102 bonds (distance) P-C4' energy: -139.103 flat angles C4'-P-C4' energy: -131.615 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -126.979 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: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1638.138114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.138114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.138114 (E_RNA) where: Base-Base interactions energy: -1027.789 where: short stacking energy: -465.415 Base-Backbone interact. energy: 2.468 local terms energy: -612.817524 where: bonds (distance) C4'-P energy: -143.318 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -105.444 tors. eta vs tors. theta energy: -72.931 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: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -974.641476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.641476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.641476 (E_RNA) where: Base-Base interactions energy: -469.391 where: short stacking energy: -275.466 Base-Backbone interact. energy: -1.743 local terms energy: -503.507384 where: bonds (distance) C4'-P energy: -142.698 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -137.127 flat angles P-C4'-P energy: -76.874 tors. eta vs tors. theta energy: 1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -867.089523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.089523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.089523 (E_RNA) where: Base-Base interactions energy: -418.080 where: short stacking energy: -230.681 Base-Backbone interact. energy: 7.736 local terms energy: -456.745298 where: bonds (distance) C4'-P energy: -120.089 bonds (distance) P-C4' energy: -155.014 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -76.912 tors. eta vs tors. theta energy: 41.020 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: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2976.661963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.661963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.661963 (E_RNA) where: Base-Base interactions energy: -1992.057 where: short stacking energy: -920.090 Base-Backbone interact. energy: 0.407 local terms energy: -985.012153 where: bonds (distance) C4'-P energy: -182.671 bonds (distance) P-C4' energy: -195.792 flat angles C4'-P-C4' energy: -208.865 flat angles P-C4'-P energy: -138.159 tors. eta vs tors. theta energy: -259.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2746.858187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.858187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.858187 (E_RNA) where: Base-Base interactions energy: -1854.398 where: short stacking energy: -800.279 Base-Backbone interact. energy: -2.890 local terms energy: -889.569258 where: bonds (distance) C4'-P energy: -185.850 bonds (distance) P-C4' energy: -166.798 flat angles C4'-P-C4' energy: -208.808 flat angles P-C4'-P energy: -114.925 tors. eta vs tors. theta energy: -213.188 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: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2500.344163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.344163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.344163 (E_RNA) where: Base-Base interactions energy: -1649.781 where: short stacking energy: -758.651 Base-Backbone interact. energy: 7.051 local terms energy: -857.614413 where: bonds (distance) C4'-P energy: -173.177 bonds (distance) P-C4' energy: -169.889 flat angles C4'-P-C4' energy: -189.254 flat angles P-C4'-P energy: -127.488 tors. eta vs tors. theta energy: -197.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2544.898705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.898705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.898705 (E_RNA) where: Base-Base interactions energy: -1721.045 where: short stacking energy: -741.053 Base-Backbone interact. energy: 0.036 local terms energy: -823.889553 where: bonds (distance) C4'-P energy: -181.672 bonds (distance) P-C4' energy: -167.729 flat angles C4'-P-C4' energy: -186.607 flat angles P-C4'-P energy: -108.808 tors. eta vs tors. theta energy: -179.073 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: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2127.450617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.450617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.450617 (E_RNA) where: Base-Base interactions energy: -1377.120 where: short stacking energy: -627.335 Base-Backbone interact. energy: 2.599 local terms energy: -752.929043 where: bonds (distance) C4'-P energy: -163.825 bonds (distance) P-C4' energy: -182.292 flat angles C4'-P-C4' energy: -161.123 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -147.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2042.164704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.164704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.164704 (E_RNA) where: Base-Base interactions energy: -1365.109 where: short stacking energy: -612.308 Base-Backbone interact. energy: 1.143 local terms energy: -678.198285 where: bonds (distance) C4'-P energy: -151.636 bonds (distance) P-C4' energy: -141.839 flat angles C4'-P-C4' energy: -167.100 flat angles P-C4'-P energy: -79.945 tors. eta vs tors. theta energy: -137.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1893.856742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.856742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.856742 (E_RNA) where: Base-Base interactions energy: -1177.827 where: short stacking energy: -524.443 Base-Backbone interact. energy: -2.176 local terms energy: -713.854321 where: bonds (distance) C4'-P energy: -168.385 bonds (distance) P-C4' energy: -143.926 flat angles C4'-P-C4' energy: -167.582 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -111.643 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: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1622.795726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.795726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.795726 (E_RNA) where: Base-Base interactions energy: -1018.840 where: short stacking energy: -485.480 Base-Backbone interact. energy: 4.765 local terms energy: -608.721170 where: bonds (distance) C4'-P energy: -148.235 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -151.289 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -77.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -919.299347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.299347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.299347 (E_RNA) where: Base-Base interactions energy: -441.343 where: short stacking energy: -290.922 Base-Backbone interact. energy: 3.618 local terms energy: -481.574962 where: bonds (distance) C4'-P energy: -132.575 bonds (distance) P-C4' energy: -148.011 flat angles C4'-P-C4' energy: -106.156 flat angles P-C4'-P energy: -73.524 tors. eta vs tors. theta energy: -21.309 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: 126 Temperature: 1.350000 Total energy: -886.686904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.686904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.686904 (E_RNA) where: Base-Base interactions energy: -451.429 where: short stacking energy: -279.874 Base-Backbone interact. energy: 1.055 local terms energy: -436.313132 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: 6.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3012.094526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.094526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.094526 (E_RNA) where: Base-Base interactions energy: -2053.788 where: short stacking energy: -918.518 Base-Backbone interact. energy: -2.639 local terms energy: -955.667256 where: bonds (distance) C4'-P energy: -173.844 bonds (distance) P-C4' energy: -177.725 flat angles C4'-P-C4' energy: -200.230 flat angles P-C4'-P energy: -136.528 tors. eta vs tors. theta energy: -267.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2714.891436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.891436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.891436 (E_RNA) where: Base-Base interactions energy: -1847.322 where: short stacking energy: -797.663 Base-Backbone interact. energy: -6.267 local terms energy: -861.302508 where: bonds (distance) C4'-P energy: -161.540 bonds (distance) P-C4' energy: -166.977 flat angles C4'-P-C4' energy: -200.083 flat angles P-C4'-P energy: -115.283 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: 3, replica: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2458.703697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.703697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.703697 (E_RNA) where: Base-Base interactions energy: -1635.207 where: short stacking energy: -752.958 Base-Backbone interact. energy: 5.610 local terms energy: -829.106896 where: bonds (distance) C4'-P energy: -165.332 bonds (distance) P-C4' energy: -180.375 flat angles C4'-P-C4' energy: -180.755 flat angles P-C4'-P energy: -126.571 tors. eta vs tors. theta energy: -176.074 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: 127 Temperature: 1.050000 Total energy: -2587.188975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.188975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.188975 (E_RNA) where: Base-Base interactions energy: -1767.276 where: short stacking energy: -734.930 Base-Backbone interact. energy: -3.167 local terms energy: -816.745849 where: bonds (distance) C4'-P energy: -160.774 bonds (distance) P-C4' energy: -154.949 flat angles C4'-P-C4' energy: -181.626 flat angles P-C4'-P energy: -123.500 tors. eta vs tors. theta energy: -195.897 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: 127 Temperature: 1.100000 Total energy: -2238.297889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.297889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.297889 (E_RNA) where: Base-Base interactions energy: -1449.721 where: short stacking energy: -648.688 Base-Backbone interact. energy: -3.575 local terms energy: -785.001637 where: bonds (distance) C4'-P energy: -171.408 bonds (distance) P-C4' energy: -152.153 flat angles C4'-P-C4' energy: -181.582 flat angles P-C4'-P energy: -113.576 tors. eta vs tors. theta energy: -166.283 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: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2055.225465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.225465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.225465 (E_RNA) where: Base-Base interactions energy: -1326.961 where: short stacking energy: -592.266 Base-Backbone interact. energy: -3.776 local terms energy: -724.488318 where: bonds (distance) C4'-P energy: -149.706 bonds (distance) P-C4' energy: -173.816 flat angles C4'-P-C4' energy: -167.310 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -129.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1894.161231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.161231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.161231 (E_RNA) where: Base-Base interactions energy: -1227.320 where: short stacking energy: -584.302 Base-Backbone interact. energy: -2.808 local terms energy: -664.032762 where: bonds (distance) C4'-P energy: -133.137 bonds (distance) P-C4' energy: -150.595 flat angles C4'-P-C4' energy: -165.365 flat angles P-C4'-P energy: -97.406 tors. eta vs tors. theta energy: -117.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1630.806692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.806692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.806692 (E_RNA) where: Base-Base interactions energy: -1004.274 where: short stacking energy: -479.713 Base-Backbone interact. energy: 0.628 local terms energy: -627.160797 where: bonds (distance) C4'-P energy: -132.733 bonds (distance) P-C4' energy: -153.513 flat angles C4'-P-C4' energy: -149.079 flat angles P-C4'-P energy: -97.914 tors. eta vs tors. theta energy: -93.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -928.638212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.638212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.638212 (E_RNA) where: Base-Base interactions energy: -449.154 where: short stacking energy: -260.730 Base-Backbone interact. energy: 0.818 local terms energy: -480.301923 where: bonds (distance) C4'-P energy: -117.258 bonds (distance) P-C4' energy: -155.218 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -73.172 tors. eta vs tors. theta energy: -4.727 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -886.581464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.581464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.581464 (E_RNA) where: Base-Base interactions energy: -399.474 where: short stacking energy: -248.701 Base-Backbone interact. energy: 3.910 local terms energy: -491.017952 where: bonds (distance) C4'-P energy: -131.832 bonds (distance) P-C4' energy: -166.276 flat angles C4'-P-C4' energy: -128.167 flat angles P-C4'-P energy: -72.935 tors. eta vs tors. theta energy: 8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3026.926218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.926218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.926218 (E_RNA) where: Base-Base interactions energy: -2077.100 where: short stacking energy: -950.262 Base-Backbone interact. energy: -0.124 local terms energy: -949.702075 where: bonds (distance) C4'-P energy: -177.799 bonds (distance) P-C4' energy: -165.885 flat angles C4'-P-C4' energy: -195.414 flat angles P-C4'-P energy: -142.951 tors. eta vs tors. theta energy: -267.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2771.612255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.612255 (E_RNA) where: Base-Base interactions energy: -1901.731 where: short stacking energy: -871.786 Base-Backbone interact. energy: 3.004 local terms energy: -872.885584 where: bonds (distance) C4'-P energy: -148.492 bonds (distance) P-C4' energy: -168.589 flat angles C4'-P-C4' energy: -204.862 flat angles P-C4'-P energy: -118.703 tors. eta vs tors. theta energy: -232.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2645.569276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.569276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.569276 (E_RNA) where: Base-Base interactions energy: -1763.963 where: short stacking energy: -752.317 Base-Backbone interact. energy: -2.621 local terms energy: -878.985181 where: bonds (distance) C4'-P energy: -185.015 bonds (distance) P-C4' energy: -170.468 flat angles C4'-P-C4' energy: -194.810 flat angles P-C4'-P energy: -122.670 tors. eta vs tors. theta energy: -206.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2433.906556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.906556 (E_RNA) where: Base-Base interactions energy: -1638.034 where: short stacking energy: -747.010 Base-Backbone interact. energy: 5.199 local terms energy: -801.071960 where: bonds (distance) C4'-P energy: -144.876 bonds (distance) P-C4' energy: -165.734 flat angles C4'-P-C4' energy: -192.848 flat angles P-C4'-P energy: -109.798 tors. eta vs tors. theta energy: -187.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2247.339246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.339246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.339246 (E_RNA) where: Base-Base interactions energy: -1465.878 where: short stacking energy: -678.443 Base-Backbone interact. energy: -4.132 local terms energy: -777.329604 where: bonds (distance) C4'-P energy: -172.830 bonds (distance) P-C4' energy: -153.699 flat angles C4'-P-C4' energy: -163.854 flat angles P-C4'-P energy: -126.984 tors. eta vs tors. theta energy: -159.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2107.490771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.490771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.490771 (E_RNA) where: Base-Base interactions energy: -1380.960 where: short stacking energy: -626.830 Base-Backbone interact. energy: -1.360 local terms energy: -725.170103 where: bonds (distance) C4'-P energy: -133.489 bonds (distance) P-C4' energy: -169.479 flat angles C4'-P-C4' energy: -171.256 flat angles P-C4'-P energy: -119.687 tors. eta vs tors. theta energy: -131.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1944.675806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.675806 (E_RNA) where: Base-Base interactions energy: -1280.607 where: short stacking energy: -587.897 Base-Backbone interact. energy: -4.602 local terms energy: -659.466774 where: bonds (distance) C4'-P energy: -131.065 bonds (distance) P-C4' energy: -159.023 flat angles C4'-P-C4' energy: -145.882 flat angles P-C4'-P energy: -100.890 tors. eta vs tors. theta energy: -122.607 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1680.080839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.080839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.080839 (E_RNA) where: Base-Base interactions energy: -1079.275 where: short stacking energy: -490.633 Base-Backbone interact. energy: -2.232 local terms energy: -598.574711 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -137.902 flat angles C4'-P-C4' energy: -141.982 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -96.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -944.109180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.109180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.109180 (E_RNA) where: Base-Base interactions energy: -464.054 where: short stacking energy: -299.491 Base-Backbone interact. energy: 6.390 local terms energy: -486.445669 where: bonds (distance) C4'-P energy: -141.796 bonds (distance) P-C4' energy: -167.601 flat angles C4'-P-C4' energy: -105.675 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -801.038812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.038812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.038812 (E_RNA) where: Base-Base interactions energy: -332.708 where: short stacking energy: -228.249 Base-Backbone interact. energy: 0.411 local terms energy: -468.741416 where: bonds (distance) C4'-P energy: -138.552 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -123.057 flat angles P-C4'-P energy: -74.985 tors. eta vs tors. theta energy: 16.464 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3006.637042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.637042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.637042 (E_RNA) where: Base-Base interactions energy: -2044.575 where: short stacking energy: -936.454 Base-Backbone interact. energy: -2.108 local terms energy: -959.953838 where: bonds (distance) C4'-P energy: -169.672 bonds (distance) P-C4' energy: -180.610 flat angles C4'-P-C4' energy: -211.753 flat angles P-C4'-P energy: -126.881 tors. eta vs tors. theta energy: -271.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2757.248624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.248624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.248624 (E_RNA) where: Base-Base interactions energy: -1830.267 where: short stacking energy: -855.950 Base-Backbone interact. energy: -3.184 local terms energy: -923.797673 where: bonds (distance) C4'-P energy: -181.617 bonds (distance) P-C4' energy: -184.275 flat angles C4'-P-C4' energy: -195.471 flat angles P-C4'-P energy: -130.743 tors. eta vs tors. theta energy: -231.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2652.601970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.601970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.601970 (E_RNA) where: Base-Base interactions energy: -1813.559 where: short stacking energy: -784.334 Base-Backbone interact. energy: -1.776 local terms energy: -837.267029 where: bonds (distance) C4'-P energy: -154.053 bonds (distance) P-C4' energy: -165.987 flat angles C4'-P-C4' energy: -181.341 flat angles P-C4'-P energy: -138.025 tors. eta vs tors. theta energy: -197.861 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: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2404.097307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.097307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.097307 (E_RNA) where: Base-Base interactions energy: -1643.465 where: short stacking energy: -725.628 Base-Backbone interact. energy: 6.357 local terms energy: -766.988603 where: bonds (distance) C4'-P energy: -148.919 bonds (distance) P-C4' energy: -161.574 flat angles C4'-P-C4' energy: -174.622 flat angles P-C4'-P energy: -103.304 tors. eta vs tors. theta energy: -178.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2256.179601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.179601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.179601 (E_RNA) where: Base-Base interactions energy: -1484.399 where: short stacking energy: -663.568 Base-Backbone interact. energy: -2.146 local terms energy: -769.634602 where: bonds (distance) C4'-P energy: -160.735 bonds (distance) P-C4' energy: -166.888 flat angles C4'-P-C4' energy: -172.508 flat angles P-C4'-P energy: -99.117 tors. eta vs tors. theta energy: -170.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2075.590184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.590184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.590184 (E_RNA) where: Base-Base interactions energy: -1352.679 where: short stacking energy: -630.530 Base-Backbone interact. energy: 7.103 local terms energy: -730.013980 where: bonds (distance) C4'-P energy: -157.724 bonds (distance) P-C4' energy: -156.602 flat angles C4'-P-C4' energy: -168.725 flat angles P-C4'-P energy: -109.368 tors. eta vs tors. theta energy: -137.596 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: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1977.205993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.205993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.205993 (E_RNA) where: Base-Base interactions energy: -1308.829 where: short stacking energy: -584.688 Base-Backbone interact. energy: -3.187 local terms energy: -665.190979 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -135.086 flat angles C4'-P-C4' energy: -170.928 flat angles P-C4'-P energy: -98.552 tors. eta vs tors. theta energy: -112.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1686.127712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.127712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.127712 (E_RNA) where: Base-Base interactions energy: -1041.443 where: short stacking energy: -496.766 Base-Backbone interact. energy: -3.428 local terms energy: -641.256377 where: bonds (distance) C4'-P energy: -128.881 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -161.379 flat angles P-C4'-P energy: -93.011 tors. eta vs tors. theta energy: -103.169 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: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1029.059057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.059057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.059057 (E_RNA) where: Base-Base interactions energy: -491.435 where: short stacking energy: -294.563 Base-Backbone interact. energy: -1.115 local terms energy: -536.508476 where: bonds (distance) C4'-P energy: -138.486 bonds (distance) P-C4' energy: -154.984 flat angles C4'-P-C4' energy: -141.005 flat angles P-C4'-P energy: -74.263 tors. eta vs tors. theta energy: -27.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -791.359728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.359728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.359728 (E_RNA) where: Base-Base interactions energy: -341.848 where: short stacking energy: -212.226 Base-Backbone interact. energy: 2.262 local terms energy: -451.773493 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -154.049 flat angles C4'-P-C4' energy: -113.763 flat angles P-C4'-P energy: -68.832 tors. eta vs tors. theta energy: 21.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2990.993510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.993510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.993510 (E_RNA) where: Base-Base interactions energy: -2037.002 where: short stacking energy: -923.163 Base-Backbone interact. energy: -5.139 local terms energy: -948.853253 where: bonds (distance) C4'-P energy: -194.001 bonds (distance) P-C4' energy: -170.025 flat angles C4'-P-C4' energy: -197.274 flat angles P-C4'-P energy: -127.443 tors. eta vs tors. theta energy: -260.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2761.617425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.617425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.617425 (E_RNA) where: Base-Base interactions energy: -1887.490 where: short stacking energy: -845.229 Base-Backbone interact. energy: -0.310 local terms energy: -873.817162 where: bonds (distance) C4'-P energy: -175.194 bonds (distance) P-C4' energy: -173.728 flat angles C4'-P-C4' energy: -185.901 flat angles P-C4'-P energy: -115.902 tors. eta vs tors. theta energy: -223.092 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2671.891368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.891368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.891368 (E_RNA) where: Base-Base interactions energy: -1813.156 where: short stacking energy: -785.383 Base-Backbone interact. energy: -1.836 local terms energy: -856.899378 where: bonds (distance) C4'-P energy: -170.161 bonds (distance) P-C4' energy: -166.623 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -118.077 tors. eta vs tors. theta energy: -203.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2393.364666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.364666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.364666 (E_RNA) where: Base-Base interactions energy: -1633.727 where: short stacking energy: -726.371 Base-Backbone interact. energy: -3.347 local terms energy: -756.290430 where: bonds (distance) C4'-P energy: -140.967 bonds (distance) P-C4' energy: -156.839 flat angles C4'-P-C4' energy: -167.965 flat angles P-C4'-P energy: -117.545 tors. eta vs tors. theta energy: -172.974 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2145.902372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.902372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.902372 (E_RNA) where: Base-Base interactions energy: -1397.245 where: short stacking energy: -611.967 Base-Backbone interact. energy: 0.268 local terms energy: -748.925247 where: bonds (distance) C4'-P energy: -153.022 bonds (distance) P-C4' energy: -158.059 flat angles C4'-P-C4' energy: -192.849 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -138.593 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2077.392063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.392063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.392063 (E_RNA) where: Base-Base interactions energy: -1392.427 where: short stacking energy: -629.359 Base-Backbone interact. energy: -4.096 local terms energy: -680.868904 where: bonds (distance) C4'-P energy: -140.953 bonds (distance) P-C4' energy: -149.634 flat angles C4'-P-C4' energy: -155.180 flat angles P-C4'-P energy: -96.047 tors. eta vs tors. theta energy: -139.056 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: 130 Temperature: 1.200000 Total energy: -2018.617038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.617038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.617038 (E_RNA) where: Base-Base interactions energy: -1353.106 where: short stacking energy: -604.042 Base-Backbone interact. energy: 1.475 local terms energy: -666.986155 where: bonds (distance) C4'-P energy: -135.052 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -147.365 flat angles P-C4'-P energy: -103.195 tors. eta vs tors. theta energy: -132.390 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1703.528547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.528547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.528547 (E_RNA) where: Base-Base interactions energy: -1068.991 where: short stacking energy: -526.232 Base-Backbone interact. energy: 0.538 local terms energy: -635.075166 where: bonds (distance) C4'-P energy: -132.287 bonds (distance) P-C4' energy: -157.053 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -97.939 tors. eta vs tors. theta energy: -92.848 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: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -961.934131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.934131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.934131 (E_RNA) where: Base-Base interactions energy: -435.429 where: short stacking energy: -256.786 Base-Backbone interact. energy: 2.758 local terms energy: -529.262533 where: bonds (distance) C4'-P energy: -149.684 bonds (distance) P-C4' energy: -153.139 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -89.052 tors. eta vs tors. theta energy: 5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -822.109058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.109058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.109058 (E_RNA) where: Base-Base interactions energy: -387.515 where: short stacking energy: -228.793 Base-Backbone interact. energy: 2.154 local terms energy: -436.748151 where: bonds (distance) C4'-P energy: -119.632 bonds (distance) P-C4' energy: -150.559 flat angles C4'-P-C4' energy: -122.631 flat angles P-C4'-P energy: -74.307 tors. eta vs tors. theta energy: 30.381 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: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2982.653766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.653766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.653766 (E_RNA) where: Base-Base interactions energy: -2043.303 where: short stacking energy: -913.458 Base-Backbone interact. energy: -2.548 local terms energy: -936.803002 where: bonds (distance) C4'-P energy: -168.459 bonds (distance) P-C4' energy: -180.974 flat angles C4'-P-C4' energy: -199.802 flat angles P-C4'-P energy: -129.118 tors. eta vs tors. theta energy: -258.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2741.582422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.582422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.582422 (E_RNA) where: Base-Base interactions energy: -1869.634 where: short stacking energy: -814.350 Base-Backbone interact. energy: -1.561 local terms energy: -870.387996 where: bonds (distance) C4'-P energy: -188.632 bonds (distance) P-C4' energy: -165.769 flat angles C4'-P-C4' energy: -180.426 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -215.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2650.362037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.362037 (E_RNA) where: Base-Base interactions energy: -1769.805 where: short stacking energy: -773.136 Base-Backbone interact. energy: -3.788 local terms energy: -876.768850 where: bonds (distance) C4'-P energy: -170.820 bonds (distance) P-C4' energy: -187.212 flat angles C4'-P-C4' energy: -185.254 flat angles P-C4'-P energy: -115.372 tors. eta vs tors. theta energy: -218.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2429.211652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.211652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.211652 (E_RNA) where: Base-Base interactions energy: -1640.496 where: short stacking energy: -751.980 Base-Backbone interact. energy: -2.358 local terms energy: -786.357063 where: bonds (distance) C4'-P energy: -142.177 bonds (distance) P-C4' energy: -167.871 flat angles C4'-P-C4' energy: -182.976 flat angles P-C4'-P energy: -99.794 tors. eta vs tors. theta energy: -193.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2209.848819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.848819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.848819 (E_RNA) where: Base-Base interactions energy: -1415.911 where: short stacking energy: -659.432 Base-Backbone interact. energy: 5.381 local terms energy: -799.319027 where: bonds (distance) C4'-P energy: -155.830 bonds (distance) P-C4' energy: -162.232 flat angles C4'-P-C4' energy: -198.368 flat angles P-C4'-P energy: -119.486 tors. eta vs tors. theta energy: -163.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2133.324294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.324294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.324294 (E_RNA) where: Base-Base interactions energy: -1390.420 where: short stacking energy: -642.247 Base-Backbone interact. energy: 3.016 local terms energy: -745.920311 where: bonds (distance) C4'-P energy: -155.600 bonds (distance) P-C4' energy: -172.188 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -91.764 tors. eta vs tors. theta energy: -161.912 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: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2005.151607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.151607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.151607 (E_RNA) where: Base-Base interactions energy: -1307.387 where: short stacking energy: -573.163 Base-Backbone interact. energy: -2.711 local terms energy: -695.053076 where: bonds (distance) C4'-P energy: -133.427 bonds (distance) P-C4' energy: -170.940 flat angles C4'-P-C4' energy: -145.017 flat angles P-C4'-P energy: -108.022 tors. eta vs tors. theta energy: -137.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1648.669576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.669576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.669576 (E_RNA) where: Base-Base interactions energy: -1035.454 where: short stacking energy: -485.061 Base-Backbone interact. energy: -0.048 local terms energy: -613.167637 where: bonds (distance) C4'-P energy: -133.188 bonds (distance) P-C4' energy: -159.941 flat angles C4'-P-C4' energy: -149.470 flat angles P-C4'-P energy: -106.823 tors. eta vs tors. theta energy: -63.746 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: 131 Temperature: 1.300000 Total energy: -1042.943255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.943255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.943255 (E_RNA) where: Base-Base interactions energy: -555.323 where: short stacking energy: -285.390 Base-Backbone interact. energy: 4.991 local terms energy: -492.611397 where: bonds (distance) C4'-P energy: -146.953 bonds (distance) P-C4' energy: -151.984 flat angles C4'-P-C4' energy: -137.584 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: 11.689 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: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -822.500061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.500061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.500061 (E_RNA) where: Base-Base interactions energy: -381.289 where: short stacking energy: -225.666 Base-Backbone interact. energy: -4.786 local terms energy: -436.425095 where: bonds (distance) C4'-P energy: -141.691 bonds (distance) P-C4' energy: -120.874 flat angles C4'-P-C4' energy: -123.754 flat angles P-C4'-P energy: -78.886 tors. eta vs tors. theta energy: 28.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3029.581554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.581554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.581554 (E_RNA) where: Base-Base interactions energy: -2063.976 where: short stacking energy: -910.950 Base-Backbone interact. energy: -1.297 local terms energy: -964.309311 where: bonds (distance) C4'-P energy: -180.021 bonds (distance) P-C4' energy: -189.756 flat angles C4'-P-C4' energy: -202.357 flat angles P-C4'-P energy: -131.175 tors. eta vs tors. theta energy: -261.000 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: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2747.826192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.826192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.826192 (E_RNA) where: Base-Base interactions energy: -1856.886 where: short stacking energy: -786.390 Base-Backbone interact. energy: -0.311 local terms energy: -890.629503 where: bonds (distance) C4'-P energy: -173.741 bonds (distance) P-C4' energy: -178.100 flat angles C4'-P-C4' energy: -205.178 flat angles P-C4'-P energy: -128.345 tors. eta vs tors. theta energy: -205.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2624.294207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.294207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.294207 (E_RNA) where: Base-Base interactions energy: -1790.009 where: short stacking energy: -769.437 Base-Backbone interact. energy: -3.874 local terms energy: -830.410436 where: bonds (distance) C4'-P energy: -157.928 bonds (distance) P-C4' energy: -174.714 flat angles C4'-P-C4' energy: -176.562 flat angles P-C4'-P energy: -120.478 tors. eta vs tors. theta energy: -200.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2436.214093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.214093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.214093 (E_RNA) where: Base-Base interactions energy: -1624.421 where: short stacking energy: -739.207 Base-Backbone interact. energy: -1.662 local terms energy: -810.131216 where: bonds (distance) C4'-P energy: -169.549 bonds (distance) P-C4' energy: -164.147 flat angles C4'-P-C4' energy: -194.719 flat angles P-C4'-P energy: -99.438 tors. eta vs tors. theta energy: -182.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2202.504654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.504654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.504654 (E_RNA) where: Base-Base interactions energy: -1459.416 where: short stacking energy: -693.295 Base-Backbone interact. energy: 5.444 local terms energy: -748.533056 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -144.078 flat angles C4'-P-C4' energy: -188.769 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -152.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2115.943808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.943808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.943808 (E_RNA) where: Base-Base interactions energy: -1408.903 where: short stacking energy: -635.020 Base-Backbone interact. energy: -4.262 local terms energy: -702.777849 where: bonds (distance) C4'-P energy: -152.062 bonds (distance) P-C4' energy: -145.103 flat angles C4'-P-C4' energy: -160.035 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -142.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1958.622359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.622359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.622359 (E_RNA) where: Base-Base interactions energy: -1313.694 where: short stacking energy: -606.091 Base-Backbone interact. energy: -1.995 local terms energy: -642.933095 where: bonds (distance) C4'-P energy: -126.276 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -159.986 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -112.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1650.045136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.045136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.045136 (E_RNA) where: Base-Base interactions energy: -1031.612 where: short stacking energy: -478.598 Base-Backbone interact. energy: -1.197 local terms energy: -617.235821 where: bonds (distance) C4'-P energy: -147.434 bonds (distance) P-C4' energy: -165.808 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -70.801 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1035.988132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.988132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.988132 (E_RNA) where: Base-Base interactions energy: -576.141 where: short stacking energy: -324.219 Base-Backbone interact. energy: 4.409 local terms energy: -464.256200 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -141.286 flat angles C4'-P-C4' energy: -113.294 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: 3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -786.132168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.132168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.132168 (E_RNA) where: Base-Base interactions energy: -348.910 where: short stacking energy: -230.785 Base-Backbone interact. energy: 4.213 local terms energy: -441.434817 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -161.992 flat angles C4'-P-C4' energy: -108.744 flat angles P-C4'-P energy: -76.953 tors. eta vs tors. theta energy: 29.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3039.525776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.525776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.525776 (E_RNA) where: Base-Base interactions energy: -2060.880 where: short stacking energy: -924.617 Base-Backbone interact. energy: -3.653 local terms energy: -974.993442 where: bonds (distance) C4'-P energy: -189.627 bonds (distance) P-C4' energy: -174.318 flat angles C4'-P-C4' energy: -209.066 flat angles P-C4'-P energy: -146.068 tors. eta vs tors. theta energy: -255.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2773.927801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.927801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.927801 (E_RNA) where: Base-Base interactions energy: -1883.962 where: short stacking energy: -809.258 Base-Backbone interact. energy: -2.504 local terms energy: -887.462074 where: bonds (distance) C4'-P energy: -184.624 bonds (distance) P-C4' energy: -165.307 flat angles C4'-P-C4' energy: -187.979 flat angles P-C4'-P energy: -136.504 tors. eta vs tors. theta energy: -213.048 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: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2662.795222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.795222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.795222 (E_RNA) where: Base-Base interactions energy: -1812.204 where: short stacking energy: -768.339 Base-Backbone interact. energy: -2.346 local terms energy: -848.244729 where: bonds (distance) C4'-P energy: -166.222 bonds (distance) P-C4' energy: -172.591 flat angles C4'-P-C4' energy: -193.596 flat angles P-C4'-P energy: -124.642 tors. eta vs tors. theta energy: -191.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2354.565788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.565788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.565788 (E_RNA) where: Base-Base interactions energy: -1553.241 where: short stacking energy: -669.378 Base-Backbone interact. energy: 4.645 local terms energy: -805.970020 where: bonds (distance) C4'-P energy: -169.303 bonds (distance) P-C4' energy: -167.872 flat angles C4'-P-C4' energy: -197.812 flat angles P-C4'-P energy: -117.717 tors. eta vs tors. theta energy: -153.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2161.102158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.102158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.102158 (E_RNA) where: Base-Base interactions energy: -1427.383 where: short stacking energy: -653.174 Base-Backbone interact. energy: -1.958 local terms energy: -731.761294 where: bonds (distance) C4'-P energy: -153.232 bonds (distance) P-C4' energy: -137.717 flat angles C4'-P-C4' energy: -173.416 flat angles P-C4'-P energy: -108.954 tors. eta vs tors. theta energy: -158.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2140.390590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.390590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.390590 (E_RNA) where: Base-Base interactions energy: -1405.552 where: short stacking energy: -641.162 Base-Backbone interact. energy: -1.767 local terms energy: -733.071324 where: bonds (distance) C4'-P energy: -160.209 bonds (distance) P-C4' energy: -174.652 flat angles C4'-P-C4' energy: -171.392 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -142.547 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2018.070457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.070457 (E_RNA) where: Base-Base interactions energy: -1342.009 where: short stacking energy: -585.351 Base-Backbone interact. energy: -3.502 local terms energy: -672.559535 where: bonds (distance) C4'-P energy: -136.747 bonds (distance) P-C4' energy: -146.444 flat angles C4'-P-C4' energy: -165.893 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -131.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1659.769790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.769790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.769790 (E_RNA) where: Base-Base interactions energy: -1026.796 where: short stacking energy: -476.856 Base-Backbone interact. energy: -1.278 local terms energy: -631.695158 where: bonds (distance) C4'-P energy: -150.390 bonds (distance) P-C4' energy: -132.576 flat angles C4'-P-C4' energy: -150.881 flat angles P-C4'-P energy: -105.526 tors. eta vs tors. theta energy: -92.322 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: 133 Temperature: 1.300000 Total energy: -1036.389269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.389269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.389269 (E_RNA) where: Base-Base interactions energy: -527.322 where: short stacking energy: -295.483 Base-Backbone interact. energy: 4.256 local terms energy: -513.322808 where: bonds (distance) C4'-P energy: -146.555 bonds (distance) P-C4' energy: -141.056 flat angles C4'-P-C4' energy: -150.255 flat angles P-C4'-P energy: -64.842 tors. eta vs tors. theta energy: -10.615 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: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -748.595342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.595342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.595342 (E_RNA) where: Base-Base interactions energy: -343.269 where: short stacking energy: -228.324 Base-Backbone interact. energy: 9.590 local terms energy: -414.915693 where: bonds (distance) C4'-P energy: -143.742 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -119.929 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: 20.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2978.603270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.603270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.603270 (E_RNA) where: Base-Base interactions energy: -2040.285 where: short stacking energy: -917.384 Base-Backbone interact. energy: -3.372 local terms energy: -934.945695 where: bonds (distance) C4'-P energy: -165.772 bonds (distance) P-C4' energy: -175.315 flat angles C4'-P-C4' energy: -200.644 flat angles P-C4'-P energy: -129.452 tors. eta vs tors. theta energy: -263.763 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: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2760.092245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.092245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.092245 (E_RNA) where: Base-Base interactions energy: -1865.399 where: short stacking energy: -837.666 Base-Backbone interact. energy: 0.091 local terms energy: -894.784299 where: bonds (distance) C4'-P energy: -165.792 bonds (distance) P-C4' energy: -176.916 flat angles C4'-P-C4' energy: -201.276 flat angles P-C4'-P energy: -127.906 tors. eta vs tors. theta energy: -222.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2656.941593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.941593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.941593 (E_RNA) where: Base-Base interactions energy: -1829.522 where: short stacking energy: -754.016 Base-Backbone interact. energy: -2.550 local terms energy: -824.869903 where: bonds (distance) C4'-P energy: -162.591 bonds (distance) P-C4' energy: -162.634 flat angles C4'-P-C4' energy: -172.886 flat angles P-C4'-P energy: -129.176 tors. eta vs tors. theta energy: -197.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2335.421067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.421067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.421067 (E_RNA) where: Base-Base interactions energy: -1536.279 where: short stacking energy: -702.270 Base-Backbone interact. energy: -2.089 local terms energy: -797.052397 where: bonds (distance) C4'-P energy: -152.866 bonds (distance) P-C4' energy: -180.300 flat angles C4'-P-C4' energy: -184.444 flat angles P-C4'-P energy: -108.777 tors. eta vs tors. theta energy: -170.665 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: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2209.226933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.226933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.226933 (E_RNA) where: Base-Base interactions energy: -1434.140 where: short stacking energy: -632.162 Base-Backbone interact. energy: -1.673 local terms energy: -773.413412 where: bonds (distance) C4'-P energy: -168.340 bonds (distance) P-C4' energy: -149.623 flat angles C4'-P-C4' energy: -174.350 flat angles P-C4'-P energy: -124.659 tors. eta vs tors. theta energy: -156.442 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: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2205.306627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.306627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.306627 (E_RNA) where: Base-Base interactions energy: -1472.358 where: short stacking energy: -647.108 Base-Backbone interact. energy: -2.563 local terms energy: -730.386146 where: bonds (distance) C4'-P energy: -153.788 bonds (distance) P-C4' energy: -155.623 flat angles C4'-P-C4' energy: -171.772 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: -150.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2011.881132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.881132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.881132 (E_RNA) where: Base-Base interactions energy: -1315.338 where: short stacking energy: -598.876 Base-Backbone interact. energy: -1.222 local terms energy: -695.321129 where: bonds (distance) C4'-P energy: -167.146 bonds (distance) P-C4' energy: -152.945 flat angles C4'-P-C4' energy: -159.576 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -124.378 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: 134 Temperature: 1.250000 Total energy: -1719.677911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.677911 (E_RNA) where: Base-Base interactions energy: -1046.558 where: short stacking energy: -510.498 Base-Backbone interact. energy: 0.823 local terms energy: -673.943202 where: bonds (distance) C4'-P energy: -161.628 bonds (distance) P-C4' energy: -177.380 flat angles C4'-P-C4' energy: -124.591 flat angles P-C4'-P energy: -113.006 tors. eta vs tors. theta energy: -97.338 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: 134 Temperature: 1.300000 Total energy: -1045.154578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.154578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.154578 (E_RNA) where: Base-Base interactions energy: -513.784 where: short stacking energy: -309.074 Base-Backbone interact. energy: 3.202 local terms energy: -534.572497 where: bonds (distance) C4'-P energy: -151.248 bonds (distance) P-C4' energy: -140.936 flat angles C4'-P-C4' energy: -146.348 flat angles P-C4'-P energy: -87.849 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -769.249717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.249717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.249717 (E_RNA) where: Base-Base interactions energy: -346.855 where: short stacking energy: -228.140 Base-Backbone interact. energy: -1.197 local terms energy: -421.197773 where: bonds (distance) C4'-P energy: -120.652 bonds (distance) P-C4' energy: -141.891 flat angles C4'-P-C4' energy: -131.649 flat angles P-C4'-P energy: -65.289 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: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2975.087982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.087982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.087982 (E_RNA) where: Base-Base interactions energy: -2044.027 where: short stacking energy: -892.413 Base-Backbone interact. energy: -4.637 local terms energy: -926.423431 where: bonds (distance) C4'-P energy: -157.588 bonds (distance) P-C4' energy: -189.149 flat angles C4'-P-C4' energy: -197.765 flat angles P-C4'-P energy: -130.006 tors. eta vs tors. theta energy: -251.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2786.168323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.168323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.168323 (E_RNA) where: Base-Base interactions energy: -1890.077 where: short stacking energy: -822.363 Base-Backbone interact. energy: 0.816 local terms energy: -896.907098 where: bonds (distance) C4'-P energy: -169.266 bonds (distance) P-C4' energy: -177.035 flat angles C4'-P-C4' energy: -200.748 flat angles P-C4'-P energy: -126.890 tors. eta vs tors. theta energy: -222.968 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: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2637.882636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.882636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.882636 (E_RNA) where: Base-Base interactions energy: -1801.646 where: short stacking energy: -778.062 Base-Backbone interact. energy: -2.971 local terms energy: -833.265117 where: bonds (distance) C4'-P energy: -156.927 bonds (distance) P-C4' energy: -155.826 flat angles C4'-P-C4' energy: -203.446 flat angles P-C4'-P energy: -122.145 tors. eta vs tors. theta energy: -194.920 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: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2408.866309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.866309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.866309 (E_RNA) where: Base-Base interactions energy: -1579.896 where: short stacking energy: -713.903 Base-Backbone interact. energy: -4.055 local terms energy: -824.916049 where: bonds (distance) C4'-P energy: -172.422 bonds (distance) P-C4' energy: -177.940 flat angles C4'-P-C4' energy: -188.503 flat angles P-C4'-P energy: -106.550 tors. eta vs tors. theta energy: -179.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2180.699185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.699185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.699185 (E_RNA) where: Base-Base interactions energy: -1395.508 where: short stacking energy: -604.898 Base-Backbone interact. energy: 1.851 local terms energy: -787.041884 where: bonds (distance) C4'-P energy: -173.000 bonds (distance) P-C4' energy: -164.581 flat angles C4'-P-C4' energy: -184.725 flat angles P-C4'-P energy: -125.363 tors. eta vs tors. theta energy: -139.373 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: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2177.840683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.840683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.840683 (E_RNA) where: Base-Base interactions energy: -1395.617 where: short stacking energy: -647.391 Base-Backbone interact. energy: -5.301 local terms energy: -776.922841 where: bonds (distance) C4'-P energy: -174.852 bonds (distance) P-C4' energy: -170.026 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -105.000 tors. eta vs tors. theta energy: -153.838 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: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1996.016300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.016300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.016300 (E_RNA) where: Base-Base interactions energy: -1311.594 where: short stacking energy: -601.104 Base-Backbone interact. energy: -1.170 local terms energy: -683.251951 where: bonds (distance) C4'-P energy: -134.453 bonds (distance) P-C4' energy: -159.184 flat angles C4'-P-C4' energy: -157.945 flat angles P-C4'-P energy: -109.389 tors. eta vs tors. theta energy: -122.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1726.720089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.720089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.720089 (E_RNA) where: Base-Base interactions energy: -1098.235 where: short stacking energy: -500.632 Base-Backbone interact. energy: 1.675 local terms energy: -630.160641 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -101.969 tors. eta vs tors. theta energy: -97.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -989.548168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.548168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.548168 (E_RNA) where: Base-Base interactions energy: -503.394 where: short stacking energy: -320.014 Base-Backbone interact. energy: 5.389 local terms energy: -491.542722 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -162.570 flat angles C4'-P-C4' energy: -114.953 flat angles P-C4'-P energy: -67.929 tors. eta vs tors. theta energy: -10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -764.030788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.030788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.030788 (E_RNA) where: Base-Base interactions energy: -331.198 where: short stacking energy: -216.722 Base-Backbone interact. energy: 4.514 local terms energy: -437.346231 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -166.946 flat angles C4'-P-C4' energy: -125.342 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: 36.684 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: 136 Temperature: 0.900000 Total energy: -3030.288991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.288991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.288991 (E_RNA) where: Base-Base interactions energy: -2055.555 where: short stacking energy: -942.343 Base-Backbone interact. energy: -2.591 local terms energy: -972.143178 where: bonds (distance) C4'-P energy: -187.718 bonds (distance) P-C4' energy: -163.833 flat angles C4'-P-C4' energy: -209.506 flat angles P-C4'-P energy: -133.101 tors. eta vs tors. theta energy: -277.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2757.682109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.682109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.682109 (E_RNA) where: Base-Base interactions energy: -1860.106 where: short stacking energy: -813.380 Base-Backbone interact. energy: -4.499 local terms energy: -893.077276 where: bonds (distance) C4'-P energy: -166.097 bonds (distance) P-C4' energy: -188.453 flat angles C4'-P-C4' energy: -182.362 flat angles P-C4'-P energy: -133.178 tors. eta vs tors. theta energy: -222.987 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: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2625.775478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.775478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.775478 (E_RNA) where: Base-Base interactions energy: -1796.754 where: short stacking energy: -758.641 Base-Backbone interact. energy: -2.771 local terms energy: -826.251349 where: bonds (distance) C4'-P energy: -169.678 bonds (distance) P-C4' energy: -158.583 flat angles C4'-P-C4' energy: -202.083 flat angles P-C4'-P energy: -108.613 tors. eta vs tors. theta energy: -187.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2374.710695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.710695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.710695 (E_RNA) where: Base-Base interactions energy: -1623.821 where: short stacking energy: -700.265 Base-Backbone interact. energy: -1.400 local terms energy: -749.489274 where: bonds (distance) C4'-P energy: -142.473 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -170.660 flat angles P-C4'-P energy: -102.460 tors. eta vs tors. theta energy: -163.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2202.337250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.337250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.337250 (E_RNA) where: Base-Base interactions energy: -1441.121 where: short stacking energy: -648.554 Base-Backbone interact. energy: 3.394 local terms energy: -764.610458 where: bonds (distance) C4'-P energy: -165.374 bonds (distance) P-C4' energy: -165.674 flat angles C4'-P-C4' energy: -170.629 flat angles P-C4'-P energy: -106.422 tors. eta vs tors. theta energy: -156.510 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: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2149.781340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.781340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.781340 (E_RNA) where: Base-Base interactions energy: -1422.021 where: short stacking energy: -630.896 Base-Backbone interact. energy: -6.026 local terms energy: -721.734152 where: bonds (distance) C4'-P energy: -134.468 bonds (distance) P-C4' energy: -174.728 flat angles C4'-P-C4' energy: -169.944 flat angles P-C4'-P energy: -96.255 tors. eta vs tors. theta energy: -146.339 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: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1994.177179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.177179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.177179 (E_RNA) where: Base-Base interactions energy: -1275.342 where: short stacking energy: -604.654 Base-Backbone interact. energy: -2.316 local terms energy: -716.518382 where: bonds (distance) C4'-P energy: -163.956 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -166.218 flat angles P-C4'-P energy: -112.894 tors. eta vs tors. theta energy: -129.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1682.048416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.048416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.048416 (E_RNA) where: Base-Base interactions energy: -1044.342 where: short stacking energy: -456.376 Base-Backbone interact. energy: -3.440 local terms energy: -634.266282 where: bonds (distance) C4'-P energy: -152.705 bonds (distance) P-C4' energy: -160.433 flat angles C4'-P-C4' energy: -164.190 flat angles P-C4'-P energy: -91.774 tors. eta vs tors. theta energy: -65.165 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: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -972.136619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.136619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.136619 (E_RNA) where: Base-Base interactions energy: -498.500 where: short stacking energy: -290.785 Base-Backbone interact. energy: -0.021 local terms energy: -473.615444 where: bonds (distance) C4'-P energy: -148.398 bonds (distance) P-C4' energy: -139.012 flat angles C4'-P-C4' energy: -112.768 flat angles P-C4'-P energy: -74.842 tors. eta vs tors. theta energy: 1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -784.697048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.697048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.697048 (E_RNA) where: Base-Base interactions energy: -339.604 where: short stacking energy: -236.176 Base-Backbone interact. energy: 0.874 local terms energy: -445.967567 where: bonds (distance) C4'-P energy: -147.407 bonds (distance) P-C4' energy: -158.863 flat angles C4'-P-C4' energy: -104.599 flat angles P-C4'-P energy: -78.340 tors. eta vs tors. theta energy: 43.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2968.077708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.077708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.077708 (E_RNA) where: Base-Base interactions energy: -1988.744 where: short stacking energy: -900.098 Base-Backbone interact. energy: -2.822 local terms energy: -976.511806 where: bonds (distance) C4'-P energy: -162.503 bonds (distance) P-C4' energy: -191.453 flat angles C4'-P-C4' energy: -208.770 flat angles P-C4'-P energy: -146.764 tors. eta vs tors. theta energy: -267.021 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: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2752.605821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.605821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.605821 (E_RNA) where: Base-Base interactions energy: -1856.006 where: short stacking energy: -797.543 Base-Backbone interact. energy: 0.784 local terms energy: -897.383379 where: bonds (distance) C4'-P energy: -174.584 bonds (distance) P-C4' energy: -178.694 flat angles C4'-P-C4' energy: -193.924 flat angles P-C4'-P energy: -136.661 tors. eta vs tors. theta energy: -213.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2676.036546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.036546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.036546 (E_RNA) where: Base-Base interactions energy: -1832.125 where: short stacking energy: -778.570 Base-Backbone interact. energy: -3.104 local terms energy: -840.808146 where: bonds (distance) C4'-P energy: -170.379 bonds (distance) P-C4' energy: -165.028 flat angles C4'-P-C4' energy: -195.465 flat angles P-C4'-P energy: -120.050 tors. eta vs tors. theta energy: -189.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2380.979579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.979579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.979579 (E_RNA) where: Base-Base interactions energy: -1552.398 where: short stacking energy: -702.873 Base-Backbone interact. energy: -0.870 local terms energy: -827.711538 where: bonds (distance) C4'-P energy: -149.963 bonds (distance) P-C4' energy: -189.240 flat angles C4'-P-C4' energy: -193.810 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -185.559 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2216.204967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.204967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.204967 (E_RNA) where: Base-Base interactions energy: -1443.183 where: short stacking energy: -654.083 Base-Backbone interact. energy: -0.780 local terms energy: -772.241680 where: bonds (distance) C4'-P energy: -155.611 bonds (distance) P-C4' energy: -182.454 flat angles C4'-P-C4' energy: -169.276 flat angles P-C4'-P energy: -105.711 tors. eta vs tors. theta energy: -159.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2143.553266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.553266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.553266 (E_RNA) where: Base-Base interactions energy: -1442.338 where: short stacking energy: -626.635 Base-Backbone interact. energy: -2.877 local terms energy: -698.338434 where: bonds (distance) C4'-P energy: -141.435 bonds (distance) P-C4' energy: -150.701 flat angles C4'-P-C4' energy: -159.340 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -146.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1946.136138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.136138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.136138 (E_RNA) where: Base-Base interactions energy: -1275.694 where: short stacking energy: -598.346 Base-Backbone interact. energy: 2.839 local terms energy: -673.281186 where: bonds (distance) C4'-P energy: -158.088 bonds (distance) P-C4' energy: -159.517 flat angles C4'-P-C4' energy: -147.970 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -121.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1687.708157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.708157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.708157 (E_RNA) where: Base-Base interactions energy: -1084.581 where: short stacking energy: -487.358 Base-Backbone interact. energy: 6.245 local terms energy: -609.372289 where: bonds (distance) C4'-P energy: -124.536 bonds (distance) P-C4' energy: -154.686 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -89.725 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: 137 Temperature: 1.300000 Total energy: -1006.768414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.768414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.768414 (E_RNA) where: Base-Base interactions energy: -481.960 where: short stacking energy: -304.697 Base-Backbone interact. energy: -1.289 local terms energy: -523.519676 where: bonds (distance) C4'-P energy: -133.942 bonds (distance) P-C4' energy: -178.384 flat angles C4'-P-C4' energy: -124.304 flat angles P-C4'-P energy: -69.091 tors. eta vs tors. theta energy: -17.799 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: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -821.715253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.715253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.715253 (E_RNA) where: Base-Base interactions energy: -368.685 where: short stacking energy: -217.658 Base-Backbone interact. energy: 1.352 local terms energy: -454.381513 where: bonds (distance) C4'-P energy: -152.075 bonds (distance) P-C4' energy: -125.900 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: 29.964 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: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3005.691982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.691982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.691982 (E_RNA) where: Base-Base interactions energy: -2051.120 where: short stacking energy: -926.029 Base-Backbone interact. energy: -1.043 local terms energy: -953.528595 where: bonds (distance) C4'-P energy: -178.543 bonds (distance) P-C4' energy: -167.808 flat angles C4'-P-C4' energy: -203.977 flat angles P-C4'-P energy: -128.412 tors. eta vs tors. theta energy: -274.788 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: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2770.794359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.794359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.794359 (E_RNA) where: Base-Base interactions energy: -1876.647 where: short stacking energy: -823.041 Base-Backbone interact. energy: -3.361 local terms energy: -890.785924 where: bonds (distance) C4'-P energy: -172.777 bonds (distance) P-C4' energy: -178.577 flat angles C4'-P-C4' energy: -187.084 flat angles P-C4'-P energy: -138.095 tors. eta vs tors. theta energy: -214.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2700.561909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.561909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.561909 (E_RNA) where: Base-Base interactions energy: -1858.672 where: short stacking energy: -748.498 Base-Backbone interact. energy: -0.932 local terms energy: -840.957351 where: bonds (distance) C4'-P energy: -166.871 bonds (distance) P-C4' energy: -181.983 flat angles C4'-P-C4' energy: -182.816 flat angles P-C4'-P energy: -129.662 tors. eta vs tors. theta energy: -179.625 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2365.795469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.795469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.795469 (E_RNA) where: Base-Base interactions energy: -1564.182 where: short stacking energy: -732.440 Base-Backbone interact. energy: -1.616 local terms energy: -799.997391 where: bonds (distance) C4'-P energy: -152.665 bonds (distance) P-C4' energy: -163.385 flat angles C4'-P-C4' energy: -184.020 flat angles P-C4'-P energy: -120.789 tors. eta vs tors. theta energy: -179.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2155.542956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.542956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.542956 (E_RNA) where: Base-Base interactions energy: -1393.873 where: short stacking energy: -625.683 Base-Backbone interact. energy: -2.584 local terms energy: -759.086490 where: bonds (distance) C4'-P energy: -161.628 bonds (distance) P-C4' energy: -165.614 flat angles C4'-P-C4' energy: -172.312 flat angles P-C4'-P energy: -110.384 tors. eta vs tors. theta energy: -149.149 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: 138 Temperature: 1.150000 Total energy: -2142.726725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.726725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.726725 (E_RNA) where: Base-Base interactions energy: -1425.521 where: short stacking energy: -623.077 Base-Backbone interact. energy: -0.031 local terms energy: -717.174299 where: bonds (distance) C4'-P energy: -155.602 bonds (distance) P-C4' energy: -149.122 flat angles C4'-P-C4' energy: -171.891 flat angles P-C4'-P energy: -102.000 tors. eta vs tors. theta energy: -138.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1959.543773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.543773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.543773 (E_RNA) where: Base-Base interactions energy: -1308.990 where: short stacking energy: -566.395 Base-Backbone interact. energy: 0.576 local terms energy: -651.129271 where: bonds (distance) C4'-P energy: -138.040 bonds (distance) P-C4' energy: -173.426 flat angles C4'-P-C4' energy: -146.266 flat angles P-C4'-P energy: -76.686 tors. eta vs tors. theta energy: -116.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1690.127089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.127089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.127089 (E_RNA) where: Base-Base interactions energy: -1099.339 where: short stacking energy: -457.310 Base-Backbone interact. energy: -3.254 local terms energy: -587.534513 where: bonds (distance) C4'-P energy: -146.685 bonds (distance) P-C4' energy: -155.102 flat angles C4'-P-C4' energy: -135.183 flat angles P-C4'-P energy: -83.637 tors. eta vs tors. theta energy: -66.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1009.919022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.919022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.919022 (E_RNA) where: Base-Base interactions energy: -501.551 where: short stacking energy: -297.672 Base-Backbone interact. energy: 1.912 local terms energy: -510.280279 where: bonds (distance) C4'-P energy: -129.055 bonds (distance) P-C4' energy: -151.976 flat angles C4'-P-C4' energy: -137.770 flat angles P-C4'-P energy: -80.853 tors. eta vs tors. theta energy: -10.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -868.582181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.582181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.582181 (E_RNA) where: Base-Base interactions energy: -411.181 where: short stacking energy: -255.761 Base-Backbone interact. energy: 2.142 local terms energy: -459.542708 where: bonds (distance) C4'-P energy: -128.188 bonds (distance) P-C4' energy: -116.803 flat angles C4'-P-C4' energy: -132.389 flat angles P-C4'-P energy: -88.484 tors. eta vs tors. theta energy: 6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2998.170427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.170427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.170427 (E_RNA) where: Base-Base interactions energy: -2062.390 where: short stacking energy: -961.769 Base-Backbone interact. energy: -1.896 local terms energy: -933.883594 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -170.628 flat angles C4'-P-C4' energy: -196.895 flat angles P-C4'-P energy: -128.107 tors. eta vs tors. theta energy: -273.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2760.652210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.652210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.652210 (E_RNA) where: Base-Base interactions energy: -1874.018 where: short stacking energy: -831.824 Base-Backbone interact. energy: -4.671 local terms energy: -881.962711 where: bonds (distance) C4'-P energy: -169.783 bonds (distance) P-C4' energy: -178.907 flat angles C4'-P-C4' energy: -191.905 flat angles P-C4'-P energy: -119.925 tors. eta vs tors. theta energy: -221.443 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: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2751.514293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.514293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.514293 (E_RNA) where: Base-Base interactions energy: -1909.764 where: short stacking energy: -811.861 Base-Backbone interact. energy: -4.462 local terms energy: -837.288065 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -181.064 flat angles C4'-P-C4' energy: -185.783 flat angles P-C4'-P energy: -120.791 tors. eta vs tors. theta energy: -202.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2360.732901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.732901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.732901 (E_RNA) where: Base-Base interactions energy: -1586.419 where: short stacking energy: -721.794 Base-Backbone interact. energy: -1.952 local terms energy: -772.361468 where: bonds (distance) C4'-P energy: -151.786 bonds (distance) P-C4' energy: -159.076 flat angles C4'-P-C4' energy: -169.916 flat angles P-C4'-P energy: -120.535 tors. eta vs tors. theta energy: -171.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2171.138339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.138339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.138339 (E_RNA) where: Base-Base interactions energy: -1415.572 where: short stacking energy: -595.039 Base-Backbone interact. energy: -1.647 local terms energy: -753.919418 where: bonds (distance) C4'-P energy: -148.374 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -176.907 flat angles P-C4'-P energy: -125.825 tors. eta vs tors. theta energy: -141.351 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2104.204515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.204515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.204515 (E_RNA) where: Base-Base interactions energy: -1379.615 where: short stacking energy: -626.950 Base-Backbone interact. energy: -0.417 local terms energy: -724.172586 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -172.940 flat angles C4'-P-C4' energy: -167.497 flat angles P-C4'-P energy: -106.860 tors. eta vs tors. theta energy: -132.663 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: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1983.517506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.517506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.517506 (E_RNA) where: Base-Base interactions energy: -1276.102 where: short stacking energy: -535.705 Base-Backbone interact. energy: 0.766 local terms energy: -708.181455 where: bonds (distance) C4'-P energy: -143.488 bonds (distance) P-C4' energy: -167.714 flat angles C4'-P-C4' energy: -173.184 flat angles P-C4'-P energy: -97.946 tors. eta vs tors. theta energy: -125.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1773.156231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.156231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.156231 (E_RNA) where: Base-Base interactions energy: -1121.038 where: short stacking energy: -540.670 Base-Backbone interact. energy: -2.817 local terms energy: -649.301375 where: bonds (distance) C4'-P energy: -136.015 bonds (distance) P-C4' energy: -154.259 flat angles C4'-P-C4' energy: -161.717 flat angles P-C4'-P energy: -98.281 tors. eta vs tors. theta energy: -99.029 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: 139 Temperature: 1.300000 Total energy: -1021.840338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.840338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.840338 (E_RNA) where: Base-Base interactions energy: -505.433 where: short stacking energy: -280.283 Base-Backbone interact. energy: 1.081 local terms energy: -517.488578 where: bonds (distance) C4'-P energy: -133.369 bonds (distance) P-C4' energy: -164.026 flat angles C4'-P-C4' energy: -140.247 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: -13.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -852.515779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.515779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.515779 (E_RNA) where: Base-Base interactions energy: -406.814 where: short stacking energy: -232.356 Base-Backbone interact. energy: 6.004 local terms energy: -451.705437 where: bonds (distance) C4'-P energy: -145.707 bonds (distance) P-C4' energy: -133.429 flat angles C4'-P-C4' energy: -105.939 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: 10.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3033.031605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.031605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.031605 (E_RNA) where: Base-Base interactions energy: -2052.475 where: short stacking energy: -925.949 Base-Backbone interact. energy: 1.481 local terms energy: -982.037632 where: bonds (distance) C4'-P energy: -189.236 bonds (distance) P-C4' energy: -169.062 flat angles C4'-P-C4' energy: -205.860 flat angles P-C4'-P energy: -143.107 tors. eta vs tors. theta energy: -274.772 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2796.730592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.730592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.730592 (E_RNA) where: Base-Base interactions energy: -1925.638 where: short stacking energy: -814.348 Base-Backbone interact. energy: -0.751 local terms energy: -870.341732 where: bonds (distance) C4'-P energy: -169.263 bonds (distance) P-C4' energy: -172.320 flat angles C4'-P-C4' energy: -183.590 flat angles P-C4'-P energy: -120.540 tors. eta vs tors. theta energy: -224.629 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2706.920782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.920782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.920782 (E_RNA) where: Base-Base interactions energy: -1862.533 where: short stacking energy: -797.590 Base-Backbone interact. energy: -3.789 local terms energy: -840.598641 where: bonds (distance) C4'-P energy: -153.847 bonds (distance) P-C4' energy: -172.847 flat angles C4'-P-C4' energy: -195.414 flat angles P-C4'-P energy: -124.532 tors. eta vs tors. theta energy: -193.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2347.240299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.240299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.240299 (E_RNA) where: Base-Base interactions energy: -1518.320 where: short stacking energy: -677.487 Base-Backbone interact. energy: 1.600 local terms energy: -830.520388 where: bonds (distance) C4'-P energy: -160.684 bonds (distance) P-C4' energy: -178.998 flat angles C4'-P-C4' energy: -194.686 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -183.763 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2252.488520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.488520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.488520 (E_RNA) where: Base-Base interactions energy: -1479.437 where: short stacking energy: -676.562 Base-Backbone interact. energy: 1.146 local terms energy: -774.197442 where: bonds (distance) C4'-P energy: -174.754 bonds (distance) P-C4' energy: -136.990 flat angles C4'-P-C4' energy: -192.878 flat angles P-C4'-P energy: -109.138 tors. eta vs tors. theta energy: -160.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2097.547817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.547817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.547817 (E_RNA) where: Base-Base interactions energy: -1381.189 where: short stacking energy: -626.219 Base-Backbone interact. energy: -0.748 local terms energy: -715.611156 where: bonds (distance) C4'-P energy: -175.871 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -154.134 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -133.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2010.822336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.822336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.822336 (E_RNA) where: Base-Base interactions energy: -1305.170 where: short stacking energy: -569.404 Base-Backbone interact. energy: -0.893 local terms energy: -704.759030 where: bonds (distance) C4'-P energy: -154.537 bonds (distance) P-C4' energy: -159.969 flat angles C4'-P-C4' energy: -177.979 flat angles P-C4'-P energy: -95.238 tors. eta vs tors. theta energy: -117.036 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: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1750.337873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.337873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.337873 (E_RNA) where: Base-Base interactions energy: -1120.813 where: short stacking energy: -536.221 Base-Backbone interact. energy: -3.499 local terms energy: -626.026243 where: bonds (distance) C4'-P energy: -124.895 bonds (distance) P-C4' energy: -159.569 flat angles C4'-P-C4' energy: -148.443 flat angles P-C4'-P energy: -96.972 tors. eta vs tors. theta energy: -96.148 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: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1020.137610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.137610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.137610 (E_RNA) where: Base-Base interactions energy: -513.462 where: short stacking energy: -291.898 Base-Backbone interact. energy: 4.047 local terms energy: -510.722318 where: bonds (distance) C4'-P energy: -136.453 bonds (distance) P-C4' energy: -160.372 flat angles C4'-P-C4' energy: -128.109 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -852.752981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.752981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.752981 (E_RNA) where: Base-Base interactions energy: -417.143 where: short stacking energy: -247.651 Base-Backbone interact. energy: -2.616 local terms energy: -432.994005 where: bonds (distance) C4'-P energy: -143.601 bonds (distance) P-C4' energy: -129.624 flat angles C4'-P-C4' energy: -128.761 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: 11.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2993.836946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.836946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.836946 (E_RNA) where: Base-Base interactions energy: -2022.727 where: short stacking energy: -907.116 Base-Backbone interact. energy: -4.113 local terms energy: -966.996727 where: bonds (distance) C4'-P energy: -171.253 bonds (distance) P-C4' energy: -193.443 flat angles C4'-P-C4' energy: -187.766 flat angles P-C4'-P energy: -153.058 tors. eta vs tors. theta energy: -261.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2806.341387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.341387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.341387 (E_RNA) where: Base-Base interactions energy: -1919.986 where: short stacking energy: -842.276 Base-Backbone interact. energy: -2.440 local terms energy: -883.915356 where: bonds (distance) C4'-P energy: -170.224 bonds (distance) P-C4' energy: -168.218 flat angles C4'-P-C4' energy: -187.672 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -236.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2649.821420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.821420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.821420 (E_RNA) where: Base-Base interactions energy: -1798.116 where: short stacking energy: -774.147 Base-Backbone interact. energy: -2.206 local terms energy: -849.499934 where: bonds (distance) C4'-P energy: -186.380 bonds (distance) P-C4' energy: -182.567 flat angles C4'-P-C4' energy: -178.970 flat angles P-C4'-P energy: -109.428 tors. eta vs tors. theta energy: -192.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2404.871861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.871861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.871861 (E_RNA) where: Base-Base interactions energy: -1604.281 where: short stacking energy: -696.083 Base-Backbone interact. energy: -1.119 local terms energy: -799.471678 where: bonds (distance) C4'-P energy: -155.703 bonds (distance) P-C4' energy: -171.137 flat angles C4'-P-C4' energy: -186.050 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -185.405 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: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2173.881497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.881497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.881497 (E_RNA) where: Base-Base interactions energy: -1440.977 where: short stacking energy: -632.655 Base-Backbone interact. energy: -3.548 local terms energy: -729.356146 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -170.970 flat angles C4'-P-C4' energy: -151.751 flat angles P-C4'-P energy: -107.132 tors. eta vs tors. theta energy: -139.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2078.837027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.837027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.837027 (E_RNA) where: Base-Base interactions energy: -1366.521 where: short stacking energy: -610.038 Base-Backbone interact. energy: -0.206 local terms energy: -712.109915 where: bonds (distance) C4'-P energy: -138.342 bonds (distance) P-C4' energy: -162.631 flat angles C4'-P-C4' energy: -158.917 flat angles P-C4'-P energy: -108.948 tors. eta vs tors. theta energy: -143.272 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: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2041.740007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.740007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.740007 (E_RNA) where: Base-Base interactions energy: -1335.774 where: short stacking energy: -569.746 Base-Backbone interact. energy: -4.644 local terms energy: -701.322523 where: bonds (distance) C4'-P energy: -138.245 bonds (distance) P-C4' energy: -167.090 flat angles C4'-P-C4' energy: -167.120 flat angles P-C4'-P energy: -97.624 tors. eta vs tors. theta energy: -131.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1742.989892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.989892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.989892 (E_RNA) where: Base-Base interactions energy: -1113.889 where: short stacking energy: -508.691 Base-Backbone interact. energy: -0.019 local terms energy: -629.081442 where: bonds (distance) C4'-P energy: -145.473 bonds (distance) P-C4' energy: -140.559 flat angles C4'-P-C4' energy: -158.428 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -91.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1015.151127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.151127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.151127 (E_RNA) where: Base-Base interactions energy: -538.313 where: short stacking energy: -307.950 Base-Backbone interact. energy: -1.128 local terms energy: -475.710989 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -158.312 flat angles C4'-P-C4' energy: -123.560 flat angles P-C4'-P energy: -70.596 tors. eta vs tors. theta energy: 14.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -855.536946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.536946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.536946 (E_RNA) where: Base-Base interactions energy: -350.283 where: short stacking energy: -220.469 Base-Backbone interact. energy: 4.874 local terms energy: -510.127451 where: bonds (distance) C4'-P energy: -163.001 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: 33.325 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3051.095301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.095301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.095301 (E_RNA) where: Base-Base interactions energy: -2107.764 where: short stacking energy: -952.370 Base-Backbone interact. energy: -2.085 local terms energy: -941.246541 where: bonds (distance) C4'-P energy: -160.534 bonds (distance) P-C4' energy: -173.524 flat angles C4'-P-C4' energy: -203.970 flat angles P-C4'-P energy: -131.292 tors. eta vs tors. theta energy: -271.927 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: 142 Temperature: 0.950000 Total energy: -2790.860571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.860571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.860571 (E_RNA) where: Base-Base interactions energy: -1903.748 where: short stacking energy: -817.930 Base-Backbone interact. energy: -1.785 local terms energy: -885.327620 where: bonds (distance) C4'-P energy: -168.116 bonds (distance) P-C4' energy: -179.329 flat angles C4'-P-C4' energy: -184.234 flat angles P-C4'-P energy: -138.731 tors. eta vs tors. theta energy: -214.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2720.476101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.476101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.476101 (E_RNA) where: Base-Base interactions energy: -1861.616 where: short stacking energy: -753.084 Base-Backbone interact. energy: -1.812 local terms energy: -857.048221 where: bonds (distance) C4'-P energy: -157.385 bonds (distance) P-C4' energy: -174.336 flat angles C4'-P-C4' energy: -200.381 flat angles P-C4'-P energy: -123.691 tors. eta vs tors. theta energy: -201.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2383.718391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.718391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.718391 (E_RNA) where: Base-Base interactions energy: -1574.874 where: short stacking energy: -727.451 Base-Backbone interact. energy: 2.357 local terms energy: -811.200952 where: bonds (distance) C4'-P energy: -156.098 bonds (distance) P-C4' energy: -181.653 flat angles C4'-P-C4' energy: -164.988 flat angles P-C4'-P energy: -121.107 tors. eta vs tors. theta energy: -187.356 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: 142 Temperature: 1.100000 Total energy: -2172.134272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.134272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.134272 (E_RNA) where: Base-Base interactions energy: -1385.690 where: short stacking energy: -628.886 Base-Backbone interact. energy: 0.066 local terms energy: -786.510535 where: bonds (distance) C4'-P energy: -165.572 bonds (distance) P-C4' energy: -168.259 flat angles C4'-P-C4' energy: -178.759 flat angles P-C4'-P energy: -129.513 tors. eta vs tors. theta energy: -144.406 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: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2206.818200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.818200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.818200 (E_RNA) where: Base-Base interactions energy: -1497.389 where: short stacking energy: -650.732 Base-Backbone interact. energy: -1.955 local terms energy: -707.473567 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -159.887 flat angles C4'-P-C4' energy: -159.048 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -159.563 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: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2047.874495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.874495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.874495 (E_RNA) where: Base-Base interactions energy: -1374.220 where: short stacking energy: -586.039 Base-Backbone interact. energy: -2.725 local terms energy: -670.929891 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -154.947 flat angles C4'-P-C4' energy: -153.732 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -143.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1790.985598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.985598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.985598 (E_RNA) where: Base-Base interactions energy: -1142.850 where: short stacking energy: -504.533 Base-Backbone interact. energy: -4.400 local terms energy: -643.735138 where: bonds (distance) C4'-P energy: -155.194 bonds (distance) P-C4' energy: -136.930 flat angles C4'-P-C4' energy: -149.029 flat angles P-C4'-P energy: -122.943 tors. eta vs tors. theta energy: -79.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1028.188987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.188987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.188987 (E_RNA) where: Base-Base interactions energy: -492.151 where: short stacking energy: -317.825 Base-Backbone interact. energy: -2.013 local terms energy: -534.024925 where: bonds (distance) C4'-P energy: -120.160 bonds (distance) P-C4' energy: -176.250 flat angles C4'-P-C4' energy: -148.639 flat angles P-C4'-P energy: -75.701 tors. eta vs tors. theta energy: -13.274 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: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -822.521417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.521417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.521417 (E_RNA) where: Base-Base interactions energy: -382.161 where: short stacking energy: -230.554 Base-Backbone interact. energy: -0.843 local terms energy: -439.517605 where: bonds (distance) C4'-P energy: -132.043 bonds (distance) P-C4' energy: -161.720 flat angles C4'-P-C4' energy: -123.019 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: 41.430 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: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3044.168175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.168175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.168175 (E_RNA) where: Base-Base interactions energy: -2071.600 where: short stacking energy: -937.171 Base-Backbone interact. energy: -4.924 local terms energy: -967.644951 where: bonds (distance) C4'-P energy: -170.400 bonds (distance) P-C4' energy: -188.289 flat angles C4'-P-C4' energy: -197.827 flat angles P-C4'-P energy: -139.849 tors. eta vs tors. theta energy: -271.281 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: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2795.774470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.774470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.774470 (E_RNA) where: Base-Base interactions energy: -1884.396 where: short stacking energy: -777.140 Base-Backbone interact. energy: -3.201 local terms energy: -908.176746 where: bonds (distance) C4'-P energy: -176.308 bonds (distance) P-C4' energy: -201.831 flat angles C4'-P-C4' energy: -197.857 flat angles P-C4'-P energy: -120.186 tors. eta vs tors. theta energy: -211.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2724.298161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.298161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.298161 (E_RNA) where: Base-Base interactions energy: -1847.962 where: short stacking energy: -809.133 Base-Backbone interact. energy: -2.060 local terms energy: -874.276886 where: bonds (distance) C4'-P energy: -168.651 bonds (distance) P-C4' energy: -178.233 flat angles C4'-P-C4' energy: -185.496 flat angles P-C4'-P energy: -126.857 tors. eta vs tors. theta energy: -215.040 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: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2312.261133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.261133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.261133 (E_RNA) where: Base-Base interactions energy: -1507.998 where: short stacking energy: -672.901 Base-Backbone interact. energy: -4.790 local terms energy: -799.473348 where: bonds (distance) C4'-P energy: -160.864 bonds (distance) P-C4' energy: -168.887 flat angles C4'-P-C4' energy: -172.972 flat angles P-C4'-P energy: -119.277 tors. eta vs tors. theta energy: -177.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2211.239848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.239848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.239848 (E_RNA) where: Base-Base interactions energy: -1461.049 where: short stacking energy: -660.020 Base-Backbone interact. energy: -1.545 local terms energy: -748.645381 where: bonds (distance) C4'-P energy: -167.916 bonds (distance) P-C4' energy: -160.794 flat angles C4'-P-C4' energy: -162.853 flat angles P-C4'-P energy: -109.605 tors. eta vs tors. theta energy: -147.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2166.480453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.480453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.480453 (E_RNA) where: Base-Base interactions energy: -1459.745 where: short stacking energy: -600.745 Base-Backbone interact. energy: -2.534 local terms energy: -704.201567 where: bonds (distance) C4'-P energy: -156.921 bonds (distance) P-C4' energy: -149.144 flat angles C4'-P-C4' energy: -151.904 flat angles P-C4'-P energy: -101.165 tors. eta vs tors. theta energy: -145.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2048.436364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.436364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.436364 (E_RNA) where: Base-Base interactions energy: -1337.993 where: short stacking energy: -558.324 Base-Backbone interact. energy: -0.319 local terms energy: -710.123995 where: bonds (distance) C4'-P energy: -163.054 bonds (distance) P-C4' energy: -148.398 flat angles C4'-P-C4' energy: -165.142 flat angles P-C4'-P energy: -96.553 tors. eta vs tors. theta energy: -136.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1729.299240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.299240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.299240 (E_RNA) where: Base-Base interactions energy: -1128.802 where: short stacking energy: -510.030 Base-Backbone interact. energy: -1.181 local terms energy: -599.315814 where: bonds (distance) C4'-P energy: -143.424 bonds (distance) P-C4' energy: -135.926 flat angles C4'-P-C4' energy: -131.602 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -96.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -998.381979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.381979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.381979 (E_RNA) where: Base-Base interactions energy: -446.495 where: short stacking energy: -272.721 Base-Backbone interact. energy: 10.264 local terms energy: -562.150787 where: bonds (distance) C4'-P energy: -136.456 bonds (distance) P-C4' energy: -177.674 flat angles C4'-P-C4' energy: -145.166 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -843.468152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.468152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.468152 (E_RNA) where: Base-Base interactions energy: -363.349 where: short stacking energy: -221.521 Base-Backbone interact. energy: 7.243 local terms energy: -487.362430 where: bonds (distance) C4'-P energy: -166.018 bonds (distance) P-C4' energy: -153.529 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: 17.657 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: 144 Temperature: 0.900000 Total energy: -3034.650471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.650471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.650471 (E_RNA) where: Base-Base interactions energy: -2043.036 where: short stacking energy: -910.947 Base-Backbone interact. energy: -4.786 local terms energy: -986.828174 where: bonds (distance) C4'-P energy: -199.886 bonds (distance) P-C4' energy: -189.305 flat angles C4'-P-C4' energy: -199.656 flat angles P-C4'-P energy: -140.500 tors. eta vs tors. theta energy: -257.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2814.009685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.009685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.009685 (E_RNA) where: Base-Base interactions energy: -1904.125 where: short stacking energy: -801.463 Base-Backbone interact. energy: -0.905 local terms energy: -908.979810 where: bonds (distance) C4'-P energy: -171.878 bonds (distance) P-C4' energy: -177.717 flat angles C4'-P-C4' energy: -201.885 flat angles P-C4'-P energy: -136.253 tors. eta vs tors. theta energy: -221.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2727.710920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.710920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.710920 (E_RNA) where: Base-Base interactions energy: -1883.808 where: short stacking energy: -804.940 Base-Backbone interact. energy: -3.788 local terms energy: -840.114205 where: bonds (distance) C4'-P energy: -173.302 bonds (distance) P-C4' energy: -154.477 flat angles C4'-P-C4' energy: -185.074 flat angles P-C4'-P energy: -117.061 tors. eta vs tors. theta energy: -210.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2333.615150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.615150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.615150 (E_RNA) where: Base-Base interactions energy: -1518.279 where: short stacking energy: -692.334 Base-Backbone interact. energy: -5.696 local terms energy: -809.640422 where: bonds (distance) C4'-P energy: -177.373 bonds (distance) P-C4' energy: -165.586 flat angles C4'-P-C4' energy: -172.388 flat angles P-C4'-P energy: -120.169 tors. eta vs tors. theta energy: -174.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2333.371211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.371211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.371211 (E_RNA) where: Base-Base interactions energy: -1578.399 where: short stacking energy: -671.312 Base-Backbone interact. energy: 2.371 local terms energy: -757.342689 where: bonds (distance) C4'-P energy: -171.972 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -95.028 tors. eta vs tors. theta energy: -165.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2187.498584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.498584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.498584 (E_RNA) where: Base-Base interactions energy: -1456.136 where: short stacking energy: -655.131 Base-Backbone interact. energy: 7.507 local terms energy: -738.869371 where: bonds (distance) C4'-P energy: -143.564 bonds (distance) P-C4' energy: -163.690 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -97.165 tors. eta vs tors. theta energy: -172.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2182.385441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.385441 (E_RNA) where: Base-Base interactions energy: -1478.530 where: short stacking energy: -619.865 Base-Backbone interact. energy: 1.466 local terms energy: -705.322022 where: bonds (distance) C4'-P energy: -151.833 bonds (distance) P-C4' energy: -154.821 flat angles C4'-P-C4' energy: -146.504 flat angles P-C4'-P energy: -100.208 tors. eta vs tors. theta energy: -151.957 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: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1712.263692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.263692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.263692 (E_RNA) where: Base-Base interactions energy: -1118.186 where: short stacking energy: -506.270 Base-Backbone interact. energy: 1.531 local terms energy: -595.607936 where: bonds (distance) C4'-P energy: -135.463 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: -84.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -986.660881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.660881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.660881 (E_RNA) where: Base-Base interactions energy: -473.436 where: short stacking energy: -281.209 Base-Backbone interact. energy: 5.436 local terms energy: -518.660222 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -145.606 flat angles C4'-P-C4' energy: -156.395 flat angles P-C4'-P energy: -78.886 tors. eta vs tors. theta energy: -13.653 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: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -873.345973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.345973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.345973 (E_RNA) where: Base-Base interactions energy: -403.714 where: short stacking energy: -260.300 Base-Backbone interact. energy: 1.443 local terms energy: -471.074930 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -128.922 flat angles P-C4'-P energy: -84.360 tors. eta vs tors. theta energy: 11.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3014.661446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.661446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.661446 (E_RNA) where: Base-Base interactions energy: -2052.078 where: short stacking energy: -921.009 Base-Backbone interact. energy: -6.130 local terms energy: -956.453899 where: bonds (distance) C4'-P energy: -170.484 bonds (distance) P-C4' energy: -190.344 flat angles C4'-P-C4' energy: -192.886 flat angles P-C4'-P energy: -143.534 tors. eta vs tors. theta energy: -259.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2815.429662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.429662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.429662 (E_RNA) where: Base-Base interactions energy: -1961.259 where: short stacking energy: -825.536 Base-Backbone interact. energy: 4.073 local terms energy: -858.242960 where: bonds (distance) C4'-P energy: -174.528 bonds (distance) P-C4' energy: -168.189 flat angles C4'-P-C4' energy: -185.526 flat angles P-C4'-P energy: -124.539 tors. eta vs tors. theta energy: -205.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2711.555776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.555776 (E_RNA) where: Base-Base interactions energy: -1841.945 where: short stacking energy: -775.154 Base-Backbone interact. energy: -6.175 local terms energy: -863.435066 where: bonds (distance) C4'-P energy: -165.738 bonds (distance) P-C4' energy: -187.436 flat angles C4'-P-C4' energy: -181.174 flat angles P-C4'-P energy: -116.817 tors. eta vs tors. theta energy: -212.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2445.697848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.697848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.697848 (E_RNA) where: Base-Base interactions energy: -1629.100 where: short stacking energy: -727.638 Base-Backbone interact. energy: 3.428 local terms energy: -820.025638 where: bonds (distance) C4'-P energy: -157.801 bonds (distance) P-C4' energy: -183.658 flat angles C4'-P-C4' energy: -171.421 flat angles P-C4'-P energy: -121.987 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2281.077976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.077976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.077976 (E_RNA) where: Base-Base interactions energy: -1488.498 where: short stacking energy: -667.101 Base-Backbone interact. energy: -4.289 local terms energy: -788.291769 where: bonds (distance) C4'-P energy: -170.801 bonds (distance) P-C4' energy: -153.715 flat angles C4'-P-C4' energy: -186.750 flat angles P-C4'-P energy: -106.619 tors. eta vs tors. theta energy: -170.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2129.400007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.400007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.400007 (E_RNA) where: Base-Base interactions energy: -1377.889 where: short stacking energy: -620.233 Base-Backbone interact. energy: 2.790 local terms energy: -754.301260 where: bonds (distance) C4'-P energy: -150.852 bonds (distance) P-C4' energy: -171.973 flat angles C4'-P-C4' energy: -171.156 flat angles P-C4'-P energy: -116.520 tors. eta vs tors. theta energy: -143.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2145.539055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.539055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.539055 (E_RNA) where: Base-Base interactions energy: -1415.691 where: short stacking energy: -645.073 Base-Backbone interact. energy: 0.832 local terms energy: -730.680638 where: bonds (distance) C4'-P energy: -146.499 bonds (distance) P-C4' energy: -167.684 flat angles C4'-P-C4' energy: -153.297 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -152.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1668.619551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.619551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.619551 (E_RNA) where: Base-Base interactions energy: -1084.392 where: short stacking energy: -482.742 Base-Backbone interact. energy: 0.218 local terms energy: -584.445607 where: bonds (distance) C4'-P energy: -110.448 bonds (distance) P-C4' energy: -162.045 flat angles C4'-P-C4' energy: -150.005 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -71.779 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -993.896818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.896818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.896818 (E_RNA) where: Base-Base interactions energy: -492.764 where: short stacking energy: -287.376 Base-Backbone interact. energy: 7.084 local terms energy: -508.216180 where: bonds (distance) C4'-P energy: -154.317 bonds (distance) P-C4' energy: -132.620 flat angles C4'-P-C4' energy: -129.948 flat angles P-C4'-P energy: -77.826 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -897.625550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.625550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.625550 (E_RNA) where: Base-Base interactions energy: -451.919 where: short stacking energy: -234.763 Base-Backbone interact. energy: 0.353 local terms energy: -446.059861 where: bonds (distance) C4'-P energy: -146.136 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -112.149 flat angles P-C4'-P energy: -69.353 tors. eta vs tors. theta energy: 27.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2999.269461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.269461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.269461 (E_RNA) where: Base-Base interactions energy: -2034.852 where: short stacking energy: -907.219 Base-Backbone interact. energy: -4.668 local terms energy: -959.749615 where: bonds (distance) C4'-P energy: -183.357 bonds (distance) P-C4' energy: -172.083 flat angles C4'-P-C4' energy: -213.194 flat angles P-C4'-P energy: -140.357 tors. eta vs tors. theta energy: -250.759 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: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2802.339659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.339659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.339659 (E_RNA) where: Base-Base interactions energy: -1921.961 where: short stacking energy: -816.466 Base-Backbone interact. energy: -0.966 local terms energy: -879.413359 where: bonds (distance) C4'-P energy: -175.975 bonds (distance) P-C4' energy: -184.347 flat angles C4'-P-C4' energy: -191.976 flat angles P-C4'-P energy: -127.871 tors. eta vs tors. theta energy: -199.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2688.639288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.639288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.639288 (E_RNA) where: Base-Base interactions energy: -1823.044 where: short stacking energy: -763.605 Base-Backbone interact. energy: -3.042 local terms energy: -862.553151 where: bonds (distance) C4'-P energy: -175.274 bonds (distance) P-C4' energy: -174.950 flat angles C4'-P-C4' energy: -189.784 flat angles P-C4'-P energy: -124.581 tors. eta vs tors. theta energy: -197.965 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: 146 Temperature: 1.050000 Total energy: -2490.209108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.209108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.209108 (E_RNA) where: Base-Base interactions energy: -1674.509 where: short stacking energy: -755.256 Base-Backbone interact. energy: 4.748 local terms energy: -820.448746 where: bonds (distance) C4'-P energy: -152.010 bonds (distance) P-C4' energy: -170.132 flat angles C4'-P-C4' energy: -169.793 flat angles P-C4'-P energy: -126.281 tors. eta vs tors. theta energy: -202.233 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: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2159.300205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.300205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.300205 (E_RNA) where: Base-Base interactions energy: -1396.282 where: short stacking energy: -674.410 Base-Backbone interact. energy: -1.584 local terms energy: -761.434224 where: bonds (distance) C4'-P energy: -155.066 bonds (distance) P-C4' energy: -174.806 flat angles C4'-P-C4' energy: -165.170 flat angles P-C4'-P energy: -108.250 tors. eta vs tors. theta energy: -158.142 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2122.664744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.664744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.664744 (E_RNA) where: Base-Base interactions energy: -1381.563 where: short stacking energy: -618.881 Base-Backbone interact. energy: 2.893 local terms energy: -743.995056 where: bonds (distance) C4'-P energy: -166.883 bonds (distance) P-C4' energy: -148.547 flat angles C4'-P-C4' energy: -191.121 flat angles P-C4'-P energy: -97.618 tors. eta vs tors. theta energy: -139.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2099.621496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.621496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.621496 (E_RNA) where: Base-Base interactions energy: -1373.855 where: short stacking energy: -601.067 Base-Backbone interact. energy: -0.423 local terms energy: -725.343380 where: bonds (distance) C4'-P energy: -168.249 bonds (distance) P-C4' energy: -152.113 flat angles C4'-P-C4' energy: -160.662 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -142.287 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: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1703.271470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.271470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.271470 (E_RNA) where: Base-Base interactions energy: -1104.893 where: short stacking energy: -500.620 Base-Backbone interact. energy: -4.866 local terms energy: -593.512656 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -148.041 flat angles C4'-P-C4' energy: -152.457 flat angles P-C4'-P energy: -91.049 tors. eta vs tors. theta energy: -76.926 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: 146 Temperature: 1.300000 Total energy: -1082.472717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.472717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.472717 (E_RNA) where: Base-Base interactions energy: -570.387 where: short stacking energy: -289.909 Base-Backbone interact. energy: 6.001 local terms energy: -518.086745 where: bonds (distance) C4'-P energy: -152.517 bonds (distance) P-C4' energy: -153.499 flat angles C4'-P-C4' energy: -137.707 flat angles P-C4'-P energy: -73.627 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -847.797133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.797133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.797133 (E_RNA) where: Base-Base interactions energy: -390.313 where: short stacking energy: -224.573 Base-Backbone interact. energy: 4.356 local terms energy: -461.839904 where: bonds (distance) C4'-P energy: -128.955 bonds (distance) P-C4' energy: -153.477 flat angles C4'-P-C4' energy: -138.922 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: 19.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2974.696821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.696821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.696821 (E_RNA) where: Base-Base interactions energy: -2031.276 where: short stacking energy: -883.828 Base-Backbone interact. energy: -0.634 local terms energy: -942.786334 where: bonds (distance) C4'-P energy: -178.962 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -184.470 flat angles P-C4'-P energy: -148.080 tors. eta vs tors. theta energy: -259.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2796.575605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.575605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.575605 (E_RNA) where: Base-Base interactions energy: -1924.581 where: short stacking energy: -818.937 Base-Backbone interact. energy: 1.735 local terms energy: -873.729777 where: bonds (distance) C4'-P energy: -173.769 bonds (distance) P-C4' energy: -168.052 flat angles C4'-P-C4' energy: -202.721 flat angles P-C4'-P energy: -121.522 tors. eta vs tors. theta energy: -207.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2690.722792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.722792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.722792 (E_RNA) where: Base-Base interactions energy: -1873.335 where: short stacking energy: -817.380 Base-Backbone interact. energy: -0.447 local terms energy: -816.940873 where: bonds (distance) C4'-P energy: -148.352 bonds (distance) P-C4' energy: -159.919 flat angles C4'-P-C4' energy: -203.251 flat angles P-C4'-P energy: -105.875 tors. eta vs tors. theta energy: -199.544 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: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2535.611767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.611767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.611767 (E_RNA) where: Base-Base interactions energy: -1714.422 where: short stacking energy: -775.103 Base-Backbone interact. energy: 1.318 local terms energy: -822.508069 where: bonds (distance) C4'-P energy: -150.632 bonds (distance) P-C4' energy: -175.050 flat angles C4'-P-C4' energy: -182.748 flat angles P-C4'-P energy: -120.624 tors. eta vs tors. theta energy: -193.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2139.032817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.032817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.032817 (E_RNA) where: Base-Base interactions energy: -1397.705 where: short stacking energy: -652.825 Base-Backbone interact. energy: -2.570 local terms energy: -738.756935 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -148.245 flat angles C4'-P-C4' energy: -164.963 flat angles P-C4'-P energy: -106.801 tors. eta vs tors. theta energy: -170.138 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: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2118.340125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.340125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.340125 (E_RNA) where: Base-Base interactions energy: -1393.750 where: short stacking energy: -658.186 Base-Backbone interact. energy: -5.467 local terms energy: -719.122927 where: bonds (distance) C4'-P energy: -137.139 bonds (distance) P-C4' energy: -163.223 flat angles C4'-P-C4' energy: -173.015 flat angles P-C4'-P energy: -99.003 tors. eta vs tors. theta energy: -146.742 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1973.133411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.133411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.133411 (E_RNA) where: Base-Base interactions energy: -1259.195 where: short stacking energy: -557.216 Base-Backbone interact. energy: -1.036 local terms energy: -712.902544 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -170.606 flat angles C4'-P-C4' energy: -169.756 flat angles P-C4'-P energy: -106.884 tors. eta vs tors. theta energy: -113.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1710.749848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.749848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.749848 (E_RNA) where: Base-Base interactions energy: -1083.537 where: short stacking energy: -501.031 Base-Backbone interact. energy: -0.416 local terms energy: -626.796991 where: bonds (distance) C4'-P energy: -145.960 bonds (distance) P-C4' energy: -141.090 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -95.865 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: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1075.044724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.044724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.044724 (E_RNA) where: Base-Base interactions energy: -584.563 where: short stacking energy: -321.885 Base-Backbone interact. energy: -1.118 local terms energy: -489.364077 where: bonds (distance) C4'-P energy: -141.295 bonds (distance) P-C4' energy: -158.586 flat angles C4'-P-C4' energy: -115.904 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -7.720 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: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -905.983583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.983583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.983583 (E_RNA) where: Base-Base interactions energy: -445.594 where: short stacking energy: -265.458 Base-Backbone interact. energy: -0.855 local terms energy: -459.533923 where: bonds (distance) C4'-P energy: -118.428 bonds (distance) P-C4' energy: -165.530 flat angles C4'-P-C4' energy: -99.537 flat angles P-C4'-P energy: -82.417 tors. eta vs tors. theta energy: 6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2987.400964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.400964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.400964 (E_RNA) where: Base-Base interactions energy: -2033.190 where: short stacking energy: -927.329 Base-Backbone interact. energy: -3.161 local terms energy: -951.050118 where: bonds (distance) C4'-P energy: -172.178 bonds (distance) P-C4' energy: -180.178 flat angles C4'-P-C4' energy: -197.255 flat angles P-C4'-P energy: -139.181 tors. eta vs tors. theta energy: -262.258 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2806.883956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.883956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.883956 (E_RNA) where: Base-Base interactions energy: -1925.210 where: short stacking energy: -815.492 Base-Backbone interact. energy: -1.369 local terms energy: -880.304832 where: bonds (distance) C4'-P energy: -164.242 bonds (distance) P-C4' energy: -182.062 flat angles C4'-P-C4' energy: -193.563 flat angles P-C4'-P energy: -127.992 tors. eta vs tors. theta energy: -212.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2683.555028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.555028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.555028 (E_RNA) where: Base-Base interactions energy: -1829.806 where: short stacking energy: -819.783 Base-Backbone interact. energy: -2.335 local terms energy: -851.414571 where: bonds (distance) C4'-P energy: -164.523 bonds (distance) P-C4' energy: -166.454 flat angles C4'-P-C4' energy: -192.690 flat angles P-C4'-P energy: -120.518 tors. eta vs tors. theta energy: -207.229 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2515.134762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.134762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.134762 (E_RNA) where: Base-Base interactions energy: -1676.290 where: short stacking energy: -743.439 Base-Backbone interact. energy: 0.586 local terms energy: -839.430178 where: bonds (distance) C4'-P energy: -166.282 bonds (distance) P-C4' energy: -161.679 flat angles C4'-P-C4' energy: -201.345 flat angles P-C4'-P energy: -108.556 tors. eta vs tors. theta energy: -201.568 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: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2172.720992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.720992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.720992 (E_RNA) where: Base-Base interactions energy: -1386.029 where: short stacking energy: -679.725 Base-Backbone interact. energy: -3.676 local terms energy: -783.015874 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -185.536 flat angles C4'-P-C4' energy: -162.512 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -166.980 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2147.472857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.472857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.472857 (E_RNA) where: Base-Base interactions energy: -1432.253 where: short stacking energy: -630.427 Base-Backbone interact. energy: -2.926 local terms energy: -712.294006 where: bonds (distance) C4'-P energy: -155.943 bonds (distance) P-C4' energy: -152.236 flat angles C4'-P-C4' energy: -158.897 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -143.070 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: 148 Temperature: 1.200000 Total energy: -1900.531835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.531835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.531835 (E_RNA) where: Base-Base interactions energy: -1264.553 where: short stacking energy: -530.368 Base-Backbone interact. energy: 3.065 local terms energy: -639.043804 where: bonds (distance) C4'-P energy: -119.083 bonds (distance) P-C4' energy: -166.744 flat angles C4'-P-C4' energy: -148.095 flat angles P-C4'-P energy: -100.933 tors. eta vs tors. theta energy: -104.190 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: 148 Temperature: 1.250000 Total energy: -1775.901231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.901231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.901231 (E_RNA) where: Base-Base interactions energy: -1127.983 where: short stacking energy: -513.164 Base-Backbone interact. energy: -1.478 local terms energy: -646.440779 where: bonds (distance) C4'-P energy: -143.844 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -114.371 tors. eta vs tors. theta energy: -101.081 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: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1081.517827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.517827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.517827 (E_RNA) where: Base-Base interactions energy: -607.368 where: short stacking energy: -345.324 Base-Backbone interact. energy: -0.282 local terms energy: -473.868305 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -148.200 flat angles C4'-P-C4' energy: -134.071 flat angles P-C4'-P energy: -68.461 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -849.332237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.332237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.332237 (E_RNA) where: Base-Base interactions energy: -412.443 where: short stacking energy: -241.656 Base-Backbone interact. energy: 1.614 local terms energy: -438.503717 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -147.267 flat angles C4'-P-C4' energy: -109.094 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: 20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3015.060684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.060684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.060684 (E_RNA) where: Base-Base interactions energy: -2049.485 where: short stacking energy: -927.962 Base-Backbone interact. energy: -1.891 local terms energy: -963.684366 where: bonds (distance) C4'-P energy: -176.943 bonds (distance) P-C4' energy: -184.783 flat angles C4'-P-C4' energy: -194.464 flat angles P-C4'-P energy: -138.368 tors. eta vs tors. theta energy: -269.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2796.016160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.016160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.016160 (E_RNA) where: Base-Base interactions energy: -1921.277 where: short stacking energy: -821.578 Base-Backbone interact. energy: 1.976 local terms energy: -876.715064 where: bonds (distance) C4'-P energy: -173.839 bonds (distance) P-C4' energy: -168.355 flat angles C4'-P-C4' energy: -201.748 flat angles P-C4'-P energy: -125.935 tors. eta vs tors. theta energy: -206.839 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: 149 Temperature: 1.000000 Total energy: -2654.771859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.771859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.771859 (E_RNA) where: Base-Base interactions energy: -1811.856 where: short stacking energy: -787.001 Base-Backbone interact. energy: -0.638 local terms energy: -842.277384 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -165.329 flat angles C4'-P-C4' energy: -192.682 flat angles P-C4'-P energy: -132.952 tors. eta vs tors. theta energy: -208.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2508.464339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.464339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.464339 (E_RNA) where: Base-Base interactions energy: -1651.846 where: short stacking energy: -707.262 Base-Backbone interact. energy: -3.957 local terms energy: -852.661686 where: bonds (distance) C4'-P energy: -191.470 bonds (distance) P-C4' energy: -153.978 flat angles C4'-P-C4' energy: -194.819 flat angles P-C4'-P energy: -123.742 tors. eta vs tors. theta energy: -188.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2135.729267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.729267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.729267 (E_RNA) where: Base-Base interactions energy: -1378.602 where: short stacking energy: -666.851 Base-Backbone interact. energy: -1.965 local terms energy: -755.162712 where: bonds (distance) C4'-P energy: -149.931 bonds (distance) P-C4' energy: -169.027 flat angles C4'-P-C4' energy: -168.709 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -175.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2183.273264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.273264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.273264 (E_RNA) where: Base-Base interactions energy: -1455.740 where: short stacking energy: -631.553 Base-Backbone interact. energy: 1.467 local terms energy: -729.000688 where: bonds (distance) C4'-P energy: -148.018 bonds (distance) P-C4' energy: -171.493 flat angles C4'-P-C4' energy: -173.009 flat angles P-C4'-P energy: -88.085 tors. eta vs tors. theta energy: -148.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1956.519654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.519654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.519654 (E_RNA) where: Base-Base interactions energy: -1304.378 where: short stacking energy: -576.405 Base-Backbone interact. energy: -2.688 local terms energy: -649.453062 where: bonds (distance) C4'-P energy: -125.337 bonds (distance) P-C4' energy: -136.334 flat angles C4'-P-C4' energy: -167.885 flat angles P-C4'-P energy: -95.053 tors. eta vs tors. theta energy: -124.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1796.115800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.115800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.115800 (E_RNA) where: Base-Base interactions energy: -1164.603 where: short stacking energy: -526.154 Base-Backbone interact. energy: 0.950 local terms energy: -632.462052 where: bonds (distance) C4'-P energy: -152.464 bonds (distance) P-C4' energy: -148.194 flat angles C4'-P-C4' energy: -153.455 flat angles P-C4'-P energy: -83.350 tors. eta vs tors. theta energy: -94.999 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1072.905678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.905678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.905678 (E_RNA) where: Base-Base interactions energy: -583.510 where: short stacking energy: -304.102 Base-Backbone interact. energy: 7.290 local terms energy: -496.685673 where: bonds (distance) C4'-P energy: -142.427 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -139.256 flat angles P-C4'-P energy: -82.551 tors. eta vs tors. theta energy: 8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -846.649010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.649010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.649010 (E_RNA) where: Base-Base interactions energy: -379.814 where: short stacking energy: -239.788 Base-Backbone interact. energy: 12.670 local terms energy: -479.504580 where: bonds (distance) C4'-P energy: -147.129 bonds (distance) P-C4' energy: -132.671 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -76.556 tors. eta vs tors. theta energy: 12.027 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: 150 Temperature: 0.900000 Total energy: -2983.023613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.023613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.023613 (E_RNA) where: Base-Base interactions energy: -2017.809 where: short stacking energy: -897.049 Base-Backbone interact. energy: -3.999 local terms energy: -961.215682 where: bonds (distance) C4'-P energy: -179.624 bonds (distance) P-C4' energy: -193.590 flat angles C4'-P-C4' energy: -204.946 flat angles P-C4'-P energy: -126.302 tors. eta vs tors. theta energy: -256.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2803.608976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.608976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.608976 (E_RNA) where: Base-Base interactions energy: -1934.073 where: short stacking energy: -807.133 Base-Backbone interact. energy: -1.763 local terms energy: -867.773450 where: bonds (distance) C4'-P energy: -164.413 bonds (distance) P-C4' energy: -182.821 flat angles C4'-P-C4' energy: -203.289 flat angles P-C4'-P energy: -120.337 tors. eta vs tors. theta energy: -196.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2684.377971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.377971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.377971 (E_RNA) where: Base-Base interactions energy: -1831.037 where: short stacking energy: -808.927 Base-Backbone interact. energy: -5.080 local terms energy: -848.260435 where: bonds (distance) C4'-P energy: -167.455 bonds (distance) P-C4' energy: -175.882 flat angles C4'-P-C4' energy: -175.740 flat angles P-C4'-P energy: -117.753 tors. eta vs tors. theta energy: -211.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2484.288893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.288893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.288893 (E_RNA) where: Base-Base interactions energy: -1664.973 where: short stacking energy: -745.524 Base-Backbone interact. energy: -1.504 local terms energy: -817.811720 where: bonds (distance) C4'-P energy: -151.119 bonds (distance) P-C4' energy: -170.411 flat angles C4'-P-C4' energy: -184.972 flat angles P-C4'-P energy: -129.045 tors. eta vs tors. theta energy: -182.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2290.031113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.031113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.031113 (E_RNA) where: Base-Base interactions energy: -1528.260 where: short stacking energy: -637.417 Base-Backbone interact. energy: -2.345 local terms energy: -759.426280 where: bonds (distance) C4'-P energy: -155.425 bonds (distance) P-C4' energy: -164.236 flat angles C4'-P-C4' energy: -178.156 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -149.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2112.276157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.276157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.276157 (E_RNA) where: Base-Base interactions energy: -1358.349 where: short stacking energy: -611.543 Base-Backbone interact. energy: -1.881 local terms energy: -752.046073 where: bonds (distance) C4'-P energy: -147.508 bonds (distance) P-C4' energy: -162.321 flat angles C4'-P-C4' energy: -183.520 flat angles P-C4'-P energy: -114.358 tors. eta vs tors. theta energy: -144.339 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: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1771.294578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.294578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.294578 (E_RNA) where: Base-Base interactions energy: -1141.223 where: short stacking energy: -536.716 Base-Backbone interact. energy: -0.677 local terms energy: -629.394758 where: bonds (distance) C4'-P energy: -164.558 bonds (distance) P-C4' energy: -129.260 flat angles C4'-P-C4' energy: -153.105 flat angles P-C4'-P energy: -74.952 tors. eta vs tors. theta energy: -107.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1750.534543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.534543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.534543 (E_RNA) where: Base-Base interactions energy: -1133.452 where: short stacking energy: -514.691 Base-Backbone interact. energy: 4.911 local terms energy: -621.994066 where: bonds (distance) C4'-P energy: -139.659 bonds (distance) P-C4' energy: -149.188 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -96.368 tors. eta vs tors. theta energy: -81.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1074.676120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.676120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.676120 (E_RNA) where: Base-Base interactions energy: -589.083 where: short stacking energy: -320.300 Base-Backbone interact. energy: 5.374 local terms energy: -490.967339 where: bonds (distance) C4'-P energy: -153.564 bonds (distance) P-C4' energy: -141.983 flat angles C4'-P-C4' energy: -117.691 flat angles P-C4'-P energy: -76.128 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -907.540243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.540243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.540243 (E_RNA) where: Base-Base interactions energy: -434.550 where: short stacking energy: -264.980 Base-Backbone interact. energy: 3.330 local terms energy: -476.319795 where: bonds (distance) C4'-P energy: -153.075 bonds (distance) P-C4' energy: -137.700 flat angles C4'-P-C4' energy: -121.849 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: 17.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2968.548261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.548261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.548261 (E_RNA) where: Base-Base interactions energy: -2029.593 where: short stacking energy: -905.074 Base-Backbone interact. energy: -1.550 local terms energy: -937.406032 where: bonds (distance) C4'-P energy: -170.609 bonds (distance) P-C4' energy: -184.461 flat angles C4'-P-C4' energy: -196.385 flat angles P-C4'-P energy: -128.155 tors. eta vs tors. theta energy: -257.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2830.781574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.781574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.781574 (E_RNA) where: Base-Base interactions energy: -1931.668 where: short stacking energy: -804.072 Base-Backbone interact. energy: -5.828 local terms energy: -893.285411 where: bonds (distance) C4'-P energy: -166.164 bonds (distance) P-C4' energy: -191.916 flat angles C4'-P-C4' energy: -195.804 flat angles P-C4'-P energy: -140.523 tors. eta vs tors. theta energy: -198.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2707.415674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.415674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.415674 (E_RNA) where: Base-Base interactions energy: -1842.157 where: short stacking energy: -787.828 Base-Backbone interact. energy: -3.576 local terms energy: -861.682783 where: bonds (distance) C4'-P energy: -161.433 bonds (distance) P-C4' energy: -191.620 flat angles C4'-P-C4' energy: -179.689 flat angles P-C4'-P energy: -106.653 tors. eta vs tors. theta energy: -222.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2528.918259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.918259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.918259 (E_RNA) where: Base-Base interactions energy: -1705.831 where: short stacking energy: -764.943 Base-Backbone interact. energy: -1.109 local terms energy: -821.977720 where: bonds (distance) C4'-P energy: -170.032 bonds (distance) P-C4' energy: -159.358 flat angles C4'-P-C4' energy: -189.589 flat angles P-C4'-P energy: -110.290 tors. eta vs tors. theta energy: -192.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2271.951918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.951918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.951918 (E_RNA) where: Base-Base interactions energy: -1530.588 where: short stacking energy: -663.654 Base-Backbone interact. energy: 4.397 local terms energy: -745.761174 where: bonds (distance) C4'-P energy: -161.613 bonds (distance) P-C4' energy: -165.932 flat angles C4'-P-C4' energy: -155.024 flat angles P-C4'-P energy: -109.200 tors. eta vs tors. theta energy: -153.992 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: 6, replica: 10 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2011.532084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.532084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.532084 (E_RNA) where: Base-Base interactions energy: -1293.034 where: short stacking energy: -627.231 Base-Backbone interact. energy: 0.058 local terms energy: -718.555325 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -169.441 flat angles C4'-P-C4' energy: -157.838 flat angles P-C4'-P energy: -109.790 tors. eta vs tors. theta energy: -139.515 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: 151 Temperature: 1.200000 Total energy: -1791.155964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.155964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.155964 (E_RNA) where: Base-Base interactions energy: -1131.985 where: short stacking energy: -532.265 Base-Backbone interact. energy: 4.130 local terms energy: -663.300287 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -162.970 flat angles P-C4'-P energy: -102.065 tors. eta vs tors. theta energy: -111.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1825.271311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.271311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.271311 (E_RNA) where: Base-Base interactions energy: -1181.871 where: short stacking energy: -542.377 Base-Backbone interact. energy: -1.795 local terms energy: -641.605513 where: bonds (distance) C4'-P energy: -144.226 bonds (distance) P-C4' energy: -144.718 flat angles C4'-P-C4' energy: -153.419 flat angles P-C4'-P energy: -89.284 tors. eta vs tors. theta energy: -109.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1088.374211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.374211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.374211 (E_RNA) where: Base-Base interactions energy: -568.754 where: short stacking energy: -285.118 Base-Backbone interact. energy: -3.975 local terms energy: -515.645264 where: bonds (distance) C4'-P energy: -152.413 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -136.642 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -844.870833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.870833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.870833 (E_RNA) where: Base-Base interactions energy: -380.431 where: short stacking energy: -251.083 Base-Backbone interact. energy: 3.134 local terms energy: -467.573932 where: bonds (distance) C4'-P energy: -122.778 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -103.816 flat angles P-C4'-P energy: -88.738 tors. eta vs tors. theta energy: 8.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2952.281812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.281812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.281812 (E_RNA) where: Base-Base interactions energy: -2012.156 where: short stacking energy: -897.812 Base-Backbone interact. energy: -3.185 local terms energy: -936.940589 where: bonds (distance) C4'-P energy: -182.002 bonds (distance) P-C4' energy: -186.078 flat angles C4'-P-C4' energy: -182.694 flat angles P-C4'-P energy: -131.021 tors. eta vs tors. theta energy: -255.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2807.807871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.807871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.807871 (E_RNA) where: Base-Base interactions energy: -1935.403 where: short stacking energy: -803.694 Base-Backbone interact. energy: 0.365 local terms energy: -872.769538 where: bonds (distance) C4'-P energy: -172.882 bonds (distance) P-C4' energy: -183.057 flat angles C4'-P-C4' energy: -192.984 flat angles P-C4'-P energy: -129.225 tors. eta vs tors. theta energy: -194.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2679.737762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.737762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.737762 (E_RNA) where: Base-Base interactions energy: -1812.055 where: short stacking energy: -801.076 Base-Backbone interact. energy: -4.128 local terms energy: -863.554750 where: bonds (distance) C4'-P energy: -171.478 bonds (distance) P-C4' energy: -176.920 flat angles C4'-P-C4' energy: -174.249 flat angles P-C4'-P energy: -129.173 tors. eta vs tors. theta energy: -211.735 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2597.844171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.844171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.844171 (E_RNA) where: Base-Base interactions energy: -1756.072 where: short stacking energy: -811.536 Base-Backbone interact. energy: -3.247 local terms energy: -838.524574 where: bonds (distance) C4'-P energy: -159.401 bonds (distance) P-C4' energy: -149.003 flat angles C4'-P-C4' energy: -183.121 flat angles P-C4'-P energy: -124.899 tors. eta vs tors. theta energy: -222.102 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: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2305.832082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.832082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.832082 (E_RNA) where: Base-Base interactions energy: -1542.025 where: short stacking energy: -689.381 Base-Backbone interact. energy: -1.012 local terms energy: -762.795191 where: bonds (distance) C4'-P energy: -133.382 bonds (distance) P-C4' energy: -172.142 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -123.390 tors. eta vs tors. theta energy: -165.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2015.392353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.392353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.392353 (E_RNA) where: Base-Base interactions energy: -1269.561 where: short stacking energy: -616.516 Base-Backbone interact. energy: 1.832 local terms energy: -747.663370 where: bonds (distance) C4'-P energy: -145.590 bonds (distance) P-C4' energy: -161.639 flat angles C4'-P-C4' energy: -162.461 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -161.967 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: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1930.590794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.590794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.590794 (E_RNA) where: Base-Base interactions energy: -1227.236 where: short stacking energy: -565.408 Base-Backbone interact. energy: -1.264 local terms energy: -702.090950 where: bonds (distance) C4'-P energy: -142.775 bonds (distance) P-C4' energy: -160.582 flat angles C4'-P-C4' energy: -191.071 flat angles P-C4'-P energy: -97.817 tors. eta vs tors. theta energy: -109.845 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: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1736.979851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.979851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.979851 (E_RNA) where: Base-Base interactions energy: -1088.565 where: short stacking energy: -498.285 Base-Backbone interact. energy: -1.424 local terms energy: -646.990420 where: bonds (distance) C4'-P energy: -151.883 bonds (distance) P-C4' energy: -153.535 flat angles C4'-P-C4' energy: -160.841 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -96.937 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: 152 Temperature: 1.300000 Total energy: -1093.630928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.630928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.630928 (E_RNA) where: Base-Base interactions energy: -609.603 where: short stacking energy: -315.827 Base-Backbone interact. energy: 3.433 local terms energy: -487.460936 where: bonds (distance) C4'-P energy: -135.461 bonds (distance) P-C4' energy: -140.119 flat angles C4'-P-C4' energy: -130.220 flat angles P-C4'-P energy: -72.957 tors. eta vs tors. theta energy: -8.704 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: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -829.658126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.658126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.658126 (E_RNA) where: Base-Base interactions energy: -387.189 where: short stacking energy: -239.264 Base-Backbone interact. energy: -0.572 local terms energy: -441.897605 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -129.409 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -62.601 tors. eta vs tors. theta energy: 8.652 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: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2986.013075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.013075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.013075 (E_RNA) where: Base-Base interactions energy: -2024.908 where: short stacking energy: -935.978 Base-Backbone interact. energy: -4.876 local terms energy: -956.228630 where: bonds (distance) C4'-P energy: -185.232 bonds (distance) P-C4' energy: -176.039 flat angles C4'-P-C4' energy: -199.583 flat angles P-C4'-P energy: -139.062 tors. eta vs tors. theta energy: -256.312 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: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2780.437063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.437063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.437063 (E_RNA) where: Base-Base interactions energy: -1912.952 where: short stacking energy: -796.971 Base-Backbone interact. energy: 3.232 local terms energy: -870.717439 where: bonds (distance) C4'-P energy: -181.158 bonds (distance) P-C4' energy: -172.188 flat angles C4'-P-C4' energy: -194.136 flat angles P-C4'-P energy: -117.680 tors. eta vs tors. theta energy: -205.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2663.853710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.853710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.853710 (E_RNA) where: Base-Base interactions energy: -1810.988 where: short stacking energy: -799.989 Base-Backbone interact. energy: 3.011 local terms energy: -855.877197 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -163.807 flat angles C4'-P-C4' energy: -212.791 flat angles P-C4'-P energy: -110.796 tors. eta vs tors. theta energy: -205.726 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: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2580.445962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.445962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.445962 (E_RNA) where: Base-Base interactions energy: -1736.503 where: short stacking energy: -771.872 Base-Backbone interact. energy: -1.835 local terms energy: -842.108759 where: bonds (distance) C4'-P energy: -161.056 bonds (distance) P-C4' energy: -163.595 flat angles C4'-P-C4' energy: -186.915 flat angles P-C4'-P energy: -116.293 tors. eta vs tors. theta energy: -214.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2353.100782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.100782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.100782 (E_RNA) where: Base-Base interactions energy: -1570.431 where: short stacking energy: -690.396 Base-Backbone interact. energy: -0.290 local terms energy: -782.379866 where: bonds (distance) C4'-P energy: -147.721 bonds (distance) P-C4' energy: -160.480 flat angles C4'-P-C4' energy: -178.037 flat angles P-C4'-P energy: -117.633 tors. eta vs tors. theta energy: -178.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2028.918614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.918614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.918614 (E_RNA) where: Base-Base interactions energy: -1313.436 where: short stacking energy: -602.285 Base-Backbone interact. energy: -2.319 local terms energy: -713.163758 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -155.867 flat angles C4'-P-C4' energy: -173.222 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -151.331 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: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1947.499704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.499704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.499704 (E_RNA) where: Base-Base interactions energy: -1289.475 where: short stacking energy: -557.694 Base-Backbone interact. energy: 0.086 local terms energy: -658.109902 where: bonds (distance) C4'-P energy: -156.368 bonds (distance) P-C4' energy: -138.139 flat angles C4'-P-C4' energy: -148.803 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -109.176 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: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1633.387368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.387368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.387368 (E_RNA) where: Base-Base interactions energy: -999.982 where: short stacking energy: -468.714 Base-Backbone interact. energy: 2.401 local terms energy: -635.805503 where: bonds (distance) C4'-P energy: -166.100 bonds (distance) P-C4' energy: -159.097 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -93.949 tors. eta vs tors. theta energy: -71.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1080.614149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.614149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.614149 (E_RNA) where: Base-Base interactions energy: -594.914 where: short stacking energy: -319.497 Base-Backbone interact. energy: 4.775 local terms energy: -490.475084 where: bonds (distance) C4'-P energy: -145.589 bonds (distance) P-C4' energy: -151.214 flat angles C4'-P-C4' energy: -111.150 flat angles P-C4'-P energy: -67.736 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -924.634826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.634826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.634826 (E_RNA) where: Base-Base interactions energy: -496.089 where: short stacking energy: -291.287 Base-Backbone interact. energy: 5.595 local terms energy: -434.141423 where: bonds (distance) C4'-P energy: -122.397 bonds (distance) P-C4' energy: -135.222 flat angles C4'-P-C4' energy: -125.630 flat angles P-C4'-P energy: -64.490 tors. eta vs tors. theta energy: 13.598 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: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2952.397760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.397760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.397760 (E_RNA) where: Base-Base interactions energy: -1995.763 where: short stacking energy: -913.965 Base-Backbone interact. energy: -4.005 local terms energy: -952.629778 where: bonds (distance) C4'-P energy: -192.771 bonds (distance) P-C4' energy: -173.073 flat angles C4'-P-C4' energy: -199.794 flat angles P-C4'-P energy: -127.258 tors. eta vs tors. theta energy: -259.734 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: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2815.446920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.446920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.446920 (E_RNA) where: Base-Base interactions energy: -1944.693 where: short stacking energy: -832.812 Base-Backbone interact. energy: -3.904 local terms energy: -866.849844 where: bonds (distance) C4'-P energy: -157.146 bonds (distance) P-C4' energy: -174.199 flat angles C4'-P-C4' energy: -196.063 flat angles P-C4'-P energy: -121.114 tors. eta vs tors. theta energy: -218.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2705.929703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.929703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.929703 (E_RNA) where: Base-Base interactions energy: -1809.012 where: short stacking energy: -782.460 Base-Backbone interact. energy: -3.044 local terms energy: -893.873615 where: bonds (distance) C4'-P energy: -164.507 bonds (distance) P-C4' energy: -182.513 flat angles C4'-P-C4' energy: -206.994 flat angles P-C4'-P energy: -124.387 tors. eta vs tors. theta energy: -215.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2565.656475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.656475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.656475 (E_RNA) where: Base-Base interactions energy: -1733.879 where: short stacking energy: -780.731 Base-Backbone interact. energy: -3.656 local terms energy: -828.120906 where: bonds (distance) C4'-P energy: -157.895 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -110.791 tors. eta vs tors. theta energy: -219.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2338.110477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.110477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.110477 (E_RNA) where: Base-Base interactions energy: -1601.356 where: short stacking energy: -683.101 Base-Backbone interact. energy: -4.750 local terms energy: -732.003853 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -169.208 flat angles C4'-P-C4' energy: -161.542 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -161.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2076.448010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.448010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.448010 (E_RNA) where: Base-Base interactions energy: -1362.637 where: short stacking energy: -649.214 Base-Backbone interact. energy: 1.711 local terms energy: -715.522739 where: bonds (distance) C4'-P energy: -138.739 bonds (distance) P-C4' energy: -149.481 flat angles C4'-P-C4' energy: -163.810 flat angles P-C4'-P energy: -98.634 tors. eta vs tors. theta energy: -164.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1934.267703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.267703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.267703 (E_RNA) where: Base-Base interactions energy: -1286.376 where: short stacking energy: -578.240 Base-Backbone interact. energy: -1.064 local terms energy: -646.827138 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -159.356 flat angles C4'-P-C4' energy: -138.839 flat angles P-C4'-P energy: -98.335 tors. eta vs tors. theta energy: -110.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1639.386307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.386307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.386307 (E_RNA) where: Base-Base interactions energy: -1027.061 where: short stacking energy: -489.357 Base-Backbone interact. energy: 0.340 local terms energy: -612.665337 where: bonds (distance) C4'-P energy: -136.541 bonds (distance) P-C4' energy: -146.916 flat angles C4'-P-C4' energy: -142.002 flat angles P-C4'-P energy: -106.789 tors. eta vs tors. theta energy: -80.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1139.195679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.195679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.195679 (E_RNA) where: Base-Base interactions energy: -638.624 where: short stacking energy: -323.015 Base-Backbone interact. energy: -2.269 local terms energy: -498.301723 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -142.857 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -15.926 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: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1007.620132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.620132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.620132 (E_RNA) where: Base-Base interactions energy: -499.934 where: short stacking energy: -242.575 Base-Backbone interact. energy: -1.431 local terms energy: -506.254298 where: bonds (distance) C4'-P energy: -132.803 bonds (distance) P-C4' energy: -158.553 flat angles C4'-P-C4' energy: -147.186 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: 9.398 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: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2965.555033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.555033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.555033 (E_RNA) where: Base-Base interactions energy: -2008.633 where: short stacking energy: -930.133 Base-Backbone interact. energy: -4.521 local terms energy: -952.400982 where: bonds (distance) C4'-P energy: -171.242 bonds (distance) P-C4' energy: -177.458 flat angles C4'-P-C4' energy: -198.351 flat angles P-C4'-P energy: -130.276 tors. eta vs tors. theta energy: -275.075 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: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2793.998292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.998292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.998292 (E_RNA) where: Base-Base interactions energy: -1918.378 where: short stacking energy: -819.523 Base-Backbone interact. energy: -1.719 local terms energy: -873.901272 where: bonds (distance) C4'-P energy: -173.613 bonds (distance) P-C4' energy: -187.191 flat angles C4'-P-C4' energy: -189.883 flat angles P-C4'-P energy: -117.868 tors. eta vs tors. theta energy: -205.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2664.039865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.039865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.039865 (E_RNA) where: Base-Base interactions energy: -1797.116 where: short stacking energy: -772.322 Base-Backbone interact. energy: -0.554 local terms energy: -866.369881 where: bonds (distance) C4'-P energy: -175.034 bonds (distance) P-C4' energy: -177.169 flat angles C4'-P-C4' energy: -194.340 flat angles P-C4'-P energy: -116.256 tors. eta vs tors. theta energy: -203.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2624.448417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.448417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.448417 (E_RNA) where: Base-Base interactions energy: -1782.021 where: short stacking energy: -812.521 Base-Backbone interact. energy: -1.876 local terms energy: -840.551179 where: bonds (distance) C4'-P energy: -136.530 bonds (distance) P-C4' energy: -162.962 flat angles C4'-P-C4' energy: -189.288 flat angles P-C4'-P energy: -118.684 tors. eta vs tors. theta energy: -233.087 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: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2334.594642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.594642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.594642 (E_RNA) where: Base-Base interactions energy: -1575.008 where: short stacking energy: -680.979 Base-Backbone interact. energy: 4.189 local terms energy: -763.774898 where: bonds (distance) C4'-P energy: -153.848 bonds (distance) P-C4' energy: -159.085 flat angles C4'-P-C4' energy: -189.583 flat angles P-C4'-P energy: -105.659 tors. eta vs tors. theta energy: -155.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2042.061876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.061876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.061876 (E_RNA) where: Base-Base interactions energy: -1330.334 where: short stacking energy: -595.583 Base-Backbone interact. energy: 1.773 local terms energy: -713.500915 where: bonds (distance) C4'-P energy: -154.947 bonds (distance) P-C4' energy: -147.495 flat angles C4'-P-C4' energy: -163.476 flat angles P-C4'-P energy: -105.820 tors. eta vs tors. theta energy: -141.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2058.383910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.383910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.383910 (E_RNA) where: Base-Base interactions energy: -1320.315 where: short stacking energy: -610.136 Base-Backbone interact. energy: 1.920 local terms energy: -739.988231 where: bonds (distance) C4'-P energy: -161.395 bonds (distance) P-C4' energy: -167.852 flat angles C4'-P-C4' energy: -153.596 flat angles P-C4'-P energy: -89.227 tors. eta vs tors. theta energy: -167.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1606.329216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.329216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.329216 (E_RNA) where: Base-Base interactions energy: -990.167 where: short stacking energy: -479.773 Base-Backbone interact. energy: 4.446 local terms energy: -620.608004 where: bonds (distance) C4'-P energy: -150.461 bonds (distance) P-C4' energy: -160.893 flat angles C4'-P-C4' energy: -152.945 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -81.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1247.042949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.042949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.042949 (E_RNA) where: Base-Base interactions energy: -741.881 where: short stacking energy: -369.751 Base-Backbone interact. energy: -1.015 local terms energy: -504.146300 where: bonds (distance) C4'-P energy: -130.808 bonds (distance) P-C4' energy: -161.295 flat angles C4'-P-C4' energy: -115.926 flat angles P-C4'-P energy: -70.395 tors. eta vs tors. theta energy: -25.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -965.510261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.510261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.510261 (E_RNA) where: Base-Base interactions energy: -517.994 where: short stacking energy: -281.814 Base-Backbone interact. energy: -1.343 local terms energy: -446.173610 where: bonds (distance) C4'-P energy: -134.386 bonds (distance) P-C4' energy: -140.705 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -75.544 tors. eta vs tors. theta energy: 5.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2985.105839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.105839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.105839 (E_RNA) where: Base-Base interactions energy: -1987.869 where: short stacking energy: -906.679 Base-Backbone interact. energy: -3.264 local terms energy: -993.973511 where: bonds (distance) C4'-P energy: -184.152 bonds (distance) P-C4' energy: -192.911 flat angles C4'-P-C4' energy: -203.741 flat angles P-C4'-P energy: -146.236 tors. eta vs tors. theta energy: -266.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2816.251560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.251560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.251560 (E_RNA) where: Base-Base interactions energy: -1940.466 where: short stacking energy: -839.365 Base-Backbone interact. energy: 2.930 local terms energy: -878.715685 where: bonds (distance) C4'-P energy: -169.946 bonds (distance) P-C4' energy: -183.169 flat angles C4'-P-C4' energy: -187.845 flat angles P-C4'-P energy: -124.557 tors. eta vs tors. theta energy: -213.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2735.936013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.936013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.936013 (E_RNA) where: Base-Base interactions energy: -1844.122 where: short stacking energy: -835.597 Base-Backbone interact. energy: -2.642 local terms energy: -889.171921 where: bonds (distance) C4'-P energy: -164.236 bonds (distance) P-C4' energy: -181.638 flat angles C4'-P-C4' energy: -180.954 flat angles P-C4'-P energy: -119.916 tors. eta vs tors. theta energy: -242.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2604.886101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.886101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.886101 (E_RNA) where: Base-Base interactions energy: -1770.586 where: short stacking energy: -755.797 Base-Backbone interact. energy: -1.726 local terms energy: -832.573741 where: bonds (distance) C4'-P energy: -166.149 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -174.986 flat angles P-C4'-P energy: -133.906 tors. eta vs tors. theta energy: -195.425 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: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2317.085982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.085982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.085982 (E_RNA) where: Base-Base interactions energy: -1549.788 where: short stacking energy: -692.112 Base-Backbone interact. energy: -1.421 local terms energy: -765.876197 where: bonds (distance) C4'-P energy: -158.805 bonds (distance) P-C4' energy: -159.914 flat angles C4'-P-C4' energy: -179.922 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -159.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2095.022861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.022861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.022861 (E_RNA) where: Base-Base interactions energy: -1352.395 where: short stacking energy: -635.856 Base-Backbone interact. energy: 1.636 local terms energy: -744.263395 where: bonds (distance) C4'-P energy: -145.569 bonds (distance) P-C4' energy: -167.911 flat angles C4'-P-C4' energy: -156.251 flat angles P-C4'-P energy: -126.097 tors. eta vs tors. theta energy: -148.436 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1863.708882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.708882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.708882 (E_RNA) where: Base-Base interactions energy: -1196.431 where: short stacking energy: -558.926 Base-Backbone interact. energy: 6.076 local terms energy: -673.353641 where: bonds (distance) C4'-P energy: -156.656 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -148.752 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -111.100 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: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1560.931057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.931057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.931057 (E_RNA) where: Base-Base interactions energy: -939.308 where: short stacking energy: -449.131 Base-Backbone interact. energy: -2.999 local terms energy: -618.624007 where: bonds (distance) C4'-P energy: -139.116 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -91.094 tors. eta vs tors. theta energy: -84.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1198.126013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.126013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.126013 (E_RNA) where: Base-Base interactions energy: -654.213 where: short stacking energy: -353.298 Base-Backbone interact. energy: 0.410 local terms energy: -544.322554 where: bonds (distance) C4'-P energy: -154.878 bonds (distance) P-C4' energy: -160.982 flat angles C4'-P-C4' energy: -128.362 flat angles P-C4'-P energy: -80.280 tors. eta vs tors. theta energy: -19.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -942.452264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.452264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.452264 (E_RNA) where: Base-Base interactions energy: -477.680 where: short stacking energy: -287.806 Base-Backbone interact. energy: 9.236 local terms energy: -474.008798 where: bonds (distance) C4'-P energy: -123.491 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -124.359 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2984.761019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.761019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.761019 (E_RNA) where: Base-Base interactions energy: -2009.506 where: short stacking energy: -918.192 Base-Backbone interact. energy: -3.460 local terms energy: -971.794826 where: bonds (distance) C4'-P energy: -176.118 bonds (distance) P-C4' energy: -180.813 flat angles C4'-P-C4' energy: -208.093 flat angles P-C4'-P energy: -139.164 tors. eta vs tors. theta energy: -267.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2830.169105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.169105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.169105 (E_RNA) where: Base-Base interactions energy: -1915.668 where: short stacking energy: -808.326 Base-Backbone interact. energy: -4.144 local terms energy: -910.356983 where: bonds (distance) C4'-P energy: -178.769 bonds (distance) P-C4' energy: -190.173 flat angles C4'-P-C4' energy: -198.381 flat angles P-C4'-P energy: -134.433 tors. eta vs tors. theta energy: -208.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2747.352413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.352413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.352413 (E_RNA) where: Base-Base interactions energy: -1878.431 where: short stacking energy: -829.929 Base-Backbone interact. energy: -3.768 local terms energy: -865.153305 where: bonds (distance) C4'-P energy: -156.486 bonds (distance) P-C4' energy: -161.100 flat angles C4'-P-C4' energy: -193.849 flat angles P-C4'-P energy: -130.239 tors. eta vs tors. theta energy: -223.479 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: 157 Temperature: 1.050000 Total energy: -2578.111630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.111630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.111630 (E_RNA) where: Base-Base interactions energy: -1788.655 where: short stacking energy: -769.070 Base-Backbone interact. energy: -2.501 local terms energy: -786.956426 where: bonds (distance) C4'-P energy: -156.703 bonds (distance) P-C4' energy: -153.680 flat angles C4'-P-C4' energy: -189.331 flat angles P-C4'-P energy: -98.738 tors. eta vs tors. theta energy: -188.504 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: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2328.330795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.330795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.330795 (E_RNA) where: Base-Base interactions energy: -1568.472 where: short stacking energy: -683.908 Base-Backbone interact. energy: -3.396 local terms energy: -756.462928 where: bonds (distance) C4'-P energy: -157.825 bonds (distance) P-C4' energy: -158.728 flat angles C4'-P-C4' energy: -177.877 flat angles P-C4'-P energy: -103.664 tors. eta vs tors. theta energy: -158.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2158.908002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.908002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.908002 (E_RNA) where: Base-Base interactions energy: -1418.975 where: short stacking energy: -654.843 Base-Backbone interact. energy: 2.957 local terms energy: -742.890411 where: bonds (distance) C4'-P energy: -156.335 bonds (distance) P-C4' energy: -152.950 flat angles C4'-P-C4' energy: -166.678 flat angles P-C4'-P energy: -95.072 tors. eta vs tors. theta energy: -171.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1887.142743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.142743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.142743 (E_RNA) where: Base-Base interactions energy: -1211.343 where: short stacking energy: -539.521 Base-Backbone interact. energy: -3.995 local terms energy: -671.805126 where: bonds (distance) C4'-P energy: -137.167 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -162.186 flat angles P-C4'-P energy: -90.731 tors. eta vs tors. theta energy: -117.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1486.496071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.496071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.496071 (E_RNA) where: Base-Base interactions energy: -931.408 where: short stacking energy: -439.689 Base-Backbone interact. energy: -4.477 local terms energy: -550.610444 where: bonds (distance) C4'-P energy: -139.973 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -121.466 flat angles P-C4'-P energy: -82.939 tors. eta vs tors. theta energy: -49.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1228.349515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.349515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.349515 (E_RNA) where: Base-Base interactions energy: -705.923 where: short stacking energy: -347.517 Base-Backbone interact. energy: -1.633 local terms energy: -520.793541 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -154.465 flat angles C4'-P-C4' energy: -146.241 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -33.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -866.567061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.567061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.567061 (E_RNA) where: Base-Base interactions energy: -420.782 where: short stacking energy: -242.357 Base-Backbone interact. energy: 1.445 local terms energy: -447.230112 where: bonds (distance) C4'-P energy: -135.269 bonds (distance) P-C4' energy: -135.533 flat angles C4'-P-C4' energy: -124.669 flat angles P-C4'-P energy: -69.517 tors. eta vs tors. theta energy: 17.759 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: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3019.669929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.669929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.669929 (E_RNA) where: Base-Base interactions energy: -2024.987 where: short stacking energy: -947.604 Base-Backbone interact. energy: -1.655 local terms energy: -993.027852 where: bonds (distance) C4'-P energy: -183.019 bonds (distance) P-C4' energy: -184.863 flat angles C4'-P-C4' energy: -212.634 flat angles P-C4'-P energy: -137.779 tors. eta vs tors. theta energy: -274.733 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: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2763.215708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.215708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.215708 (E_RNA) where: Base-Base interactions energy: -1919.987 where: short stacking energy: -792.823 Base-Backbone interact. energy: 0.898 local terms energy: -844.126220 where: bonds (distance) C4'-P energy: -174.194 bonds (distance) P-C4' energy: -177.047 flat angles C4'-P-C4' energy: -183.749 flat angles P-C4'-P energy: -114.629 tors. eta vs tors. theta energy: -194.506 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: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2765.083021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.083021 (E_RNA) where: Base-Base interactions energy: -1884.207 where: short stacking energy: -812.844 Base-Backbone interact. energy: -3.940 local terms energy: -876.936069 where: bonds (distance) C4'-P energy: -168.437 bonds (distance) P-C4' energy: -170.610 flat angles C4'-P-C4' energy: -183.504 flat angles P-C4'-P energy: -129.321 tors. eta vs tors. theta energy: -225.063 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: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2677.467611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.467611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.467611 (E_RNA) where: Base-Base interactions energy: -1776.664 where: short stacking energy: -795.886 Base-Backbone interact. energy: -3.612 local terms energy: -897.192461 where: bonds (distance) C4'-P energy: -161.841 bonds (distance) P-C4' energy: -179.569 flat angles C4'-P-C4' energy: -208.299 flat angles P-C4'-P energy: -124.541 tors. eta vs tors. theta energy: -222.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2323.147226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.147226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.147226 (E_RNA) where: Base-Base interactions energy: -1580.318 where: short stacking energy: -690.729 Base-Backbone interact. energy: -0.699 local terms energy: -742.130124 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -170.046 flat angles C4'-P-C4' energy: -181.172 flat angles P-C4'-P energy: -101.305 tors. eta vs tors. theta energy: -166.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2152.313342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.313342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.313342 (E_RNA) where: Base-Base interactions energy: -1423.047 where: short stacking energy: -648.235 Base-Backbone interact. energy: -1.918 local terms energy: -727.349247 where: bonds (distance) C4'-P energy: -129.999 bonds (distance) P-C4' energy: -169.003 flat angles C4'-P-C4' energy: -177.320 flat angles P-C4'-P energy: -88.172 tors. eta vs tors. theta energy: -162.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1800.876423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.876423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.876423 (E_RNA) where: Base-Base interactions energy: -1133.115 where: short stacking energy: -534.828 Base-Backbone interact. energy: 6.701 local terms energy: -674.461854 where: bonds (distance) C4'-P energy: -153.264 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -151.322 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -135.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1462.738612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.738612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.738612 (E_RNA) where: Base-Base interactions energy: -847.778 where: short stacking energy: -395.014 Base-Backbone interact. energy: 3.908 local terms energy: -618.868693 where: bonds (distance) C4'-P energy: -160.973 bonds (distance) P-C4' energy: -160.792 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -51.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1267.646083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.646083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.646083 (E_RNA) where: Base-Base interactions energy: -725.489 where: short stacking energy: -352.930 Base-Backbone interact. energy: 6.321 local terms energy: -548.478590 where: bonds (distance) C4'-P energy: -135.046 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -155.490 flat angles P-C4'-P energy: -76.720 tors. eta vs tors. theta energy: -43.878 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: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -933.378836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.378836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.378836 (E_RNA) where: Base-Base interactions energy: -495.110 where: short stacking energy: -272.549 Base-Backbone interact. energy: 5.493 local terms energy: -443.761634 where: bonds (distance) C4'-P energy: -113.790 bonds (distance) P-C4' energy: -141.057 flat angles C4'-P-C4' energy: -117.498 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: 12.132 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: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3001.545700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.545700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.545700 (E_RNA) where: Base-Base interactions energy: -2022.405 where: short stacking energy: -942.628 Base-Backbone interact. energy: -2.351 local terms energy: -976.789819 where: bonds (distance) C4'-P energy: -180.030 bonds (distance) P-C4' energy: -183.086 flat angles C4'-P-C4' energy: -204.868 flat angles P-C4'-P energy: -134.255 tors. eta vs tors. theta energy: -274.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2777.472572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.472572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.472572 (E_RNA) where: Base-Base interactions energy: -1922.603 where: short stacking energy: -786.264 Base-Backbone interact. energy: -2.914 local terms energy: -851.955740 where: bonds (distance) C4'-P energy: -162.669 bonds (distance) P-C4' energy: -181.873 flat angles C4'-P-C4' energy: -197.751 flat angles P-C4'-P energy: -103.402 tors. eta vs tors. theta energy: -206.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2738.122690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.122690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.122690 (E_RNA) where: Base-Base interactions energy: -1855.056 where: short stacking energy: -834.286 Base-Backbone interact. energy: -1.729 local terms energy: -881.337533 where: bonds (distance) C4'-P energy: -155.260 bonds (distance) P-C4' energy: -170.725 flat angles C4'-P-C4' energy: -194.054 flat angles P-C4'-P energy: -127.243 tors. eta vs tors. theta energy: -234.056 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: 159 Temperature: 1.050000 Total energy: -2608.043674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.043674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.043674 (E_RNA) where: Base-Base interactions energy: -1782.995 where: short stacking energy: -770.942 Base-Backbone interact. energy: 2.875 local terms energy: -827.923322 where: bonds (distance) C4'-P energy: -165.724 bonds (distance) P-C4' energy: -162.729 flat angles C4'-P-C4' energy: -185.309 flat angles P-C4'-P energy: -118.291 tors. eta vs tors. theta energy: -195.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2388.664667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.664667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.664667 (E_RNA) where: Base-Base interactions energy: -1638.279 where: short stacking energy: -718.721 Base-Backbone interact. energy: 1.806 local terms energy: -752.191584 where: bonds (distance) C4'-P energy: -153.005 bonds (distance) P-C4' energy: -168.684 flat angles C4'-P-C4' energy: -147.773 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -174.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2212.146419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.146419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.146419 (E_RNA) where: Base-Base interactions energy: -1409.922 where: short stacking energy: -660.742 Base-Backbone interact. energy: -0.128 local terms energy: -802.096542 where: bonds (distance) C4'-P energy: -164.333 bonds (distance) P-C4' energy: -168.120 flat angles C4'-P-C4' energy: -184.471 flat angles P-C4'-P energy: -112.102 tors. eta vs tors. theta energy: -173.071 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: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1820.333652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.333652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.333652 (E_RNA) where: Base-Base interactions energy: -1156.304 where: short stacking energy: -521.918 Base-Backbone interact. energy: 4.897 local terms energy: -668.926653 where: bonds (distance) C4'-P energy: -139.985 bonds (distance) P-C4' energy: -149.406 flat angles C4'-P-C4' energy: -173.839 flat angles P-C4'-P energy: -97.865 tors. eta vs tors. theta energy: -107.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1490.199128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.199128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.199128 (E_RNA) where: Base-Base interactions energy: -880.604 where: short stacking energy: -428.884 Base-Backbone interact. energy: -1.303 local terms energy: -608.292236 where: bonds (distance) C4'-P energy: -152.486 bonds (distance) P-C4' energy: -139.536 flat angles C4'-P-C4' energy: -140.470 flat angles P-C4'-P energy: -104.453 tors. eta vs tors. theta energy: -71.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1257.245745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.245745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.245745 (E_RNA) where: Base-Base interactions energy: -716.310 where: short stacking energy: -376.080 Base-Backbone interact. energy: -1.143 local terms energy: -539.792362 where: bonds (distance) C4'-P energy: -122.392 bonds (distance) P-C4' energy: -115.502 flat angles C4'-P-C4' energy: -161.362 flat angles P-C4'-P energy: -105.494 tors. eta vs tors. theta energy: -35.042 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: 159 Temperature: 1.350000 Total energy: -896.834931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.834931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.834931 (E_RNA) where: Base-Base interactions energy: -438.973 where: short stacking energy: -249.251 Base-Backbone interact. energy: 7.914 local terms energy: -465.775530 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -140.452 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: 13.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2994.819413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.819413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.819413 (E_RNA) where: Base-Base interactions energy: -2036.149 where: short stacking energy: -943.243 Base-Backbone interact. energy: -2.788 local terms energy: -955.881844 where: bonds (distance) C4'-P energy: -166.739 bonds (distance) P-C4' energy: -180.645 flat angles C4'-P-C4' energy: -202.597 flat angles P-C4'-P energy: -129.359 tors. eta vs tors. theta energy: -276.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2838.146466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.146466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.146466 (E_RNA) where: Base-Base interactions energy: -1927.385 where: short stacking energy: -790.189 Base-Backbone interact. energy: -2.502 local terms energy: -908.258891 where: bonds (distance) C4'-P energy: -168.471 bonds (distance) P-C4' energy: -179.394 flat angles C4'-P-C4' energy: -216.360 flat angles P-C4'-P energy: -132.060 tors. eta vs tors. theta energy: -211.973 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: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2722.286393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.286393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.286393 (E_RNA) where: Base-Base interactions energy: -1885.797 where: short stacking energy: -824.977 Base-Backbone interact. energy: -2.116 local terms energy: -834.372911 where: bonds (distance) C4'-P energy: -143.911 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -187.871 flat angles P-C4'-P energy: -127.379 tors. eta vs tors. theta energy: -221.372 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: 160 Temperature: 1.050000 Total energy: -2609.853287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.853287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.853287 (E_RNA) where: Base-Base interactions energy: -1760.696 where: short stacking energy: -767.906 Base-Backbone interact. energy: 2.561 local terms energy: -851.717992 where: bonds (distance) C4'-P energy: -168.805 bonds (distance) P-C4' energy: -176.544 flat angles C4'-P-C4' energy: -196.799 flat angles P-C4'-P energy: -107.672 tors. eta vs tors. theta energy: -201.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2343.453969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.453969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.453969 (E_RNA) where: Base-Base interactions energy: -1591.537 where: short stacking energy: -709.791 Base-Backbone interact. energy: -2.689 local terms energy: -749.227983 where: bonds (distance) C4'-P energy: -136.854 bonds (distance) P-C4' energy: -156.425 flat angles C4'-P-C4' energy: -171.110 flat angles P-C4'-P energy: -109.269 tors. eta vs tors. theta energy: -175.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2206.297496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.297496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.297496 (E_RNA) where: Base-Base interactions energy: -1495.711 where: short stacking energy: -685.896 Base-Backbone interact. energy: 1.700 local terms energy: -712.286858 where: bonds (distance) C4'-P energy: -136.585 bonds (distance) P-C4' energy: -145.713 flat angles C4'-P-C4' energy: -153.418 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -164.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1837.855396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.855396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.855396 (E_RNA) where: Base-Base interactions energy: -1154.144 where: short stacking energy: -560.237 Base-Backbone interact. energy: 4.562 local terms energy: -688.273117 where: bonds (distance) C4'-P energy: -140.537 bonds (distance) P-C4' energy: -158.362 flat angles C4'-P-C4' energy: -162.648 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -124.732 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: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1424.093707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.093707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.093707 (E_RNA) where: Base-Base interactions energy: -842.006 where: short stacking energy: -446.291 Base-Backbone interact. energy: 8.625 local terms energy: -590.711987 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -148.591 flat angles P-C4'-P energy: -102.877 tors. eta vs tors. theta energy: -84.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1265.416106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.416106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.416106 (E_RNA) where: Base-Base interactions energy: -704.658 where: short stacking energy: -328.111 Base-Backbone interact. energy: -1.897 local terms energy: -558.861834 where: bonds (distance) C4'-P energy: -154.083 bonds (distance) P-C4' energy: -147.565 flat angles C4'-P-C4' energy: -142.981 flat angles P-C4'-P energy: -79.814 tors. eta vs tors. theta energy: -34.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -867.029988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.029988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.029988 (E_RNA) where: Base-Base interactions energy: -394.796 where: short stacking energy: -247.024 Base-Backbone interact. energy: -1.976 local terms energy: -470.257860 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -165.301 flat angles C4'-P-C4' energy: -117.183 flat angles P-C4'-P energy: -77.443 tors. eta vs tors. theta energy: 24.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2979.562219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.562219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.562219 (E_RNA) where: Base-Base interactions energy: -1988.251 where: short stacking energy: -891.627 Base-Backbone interact. energy: -1.701 local terms energy: -989.610600 where: bonds (distance) C4'-P energy: -179.516 bonds (distance) P-C4' energy: -185.801 flat angles C4'-P-C4' energy: -204.380 flat angles P-C4'-P energy: -150.277 tors. eta vs tors. theta energy: -269.636 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: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2815.904451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.904451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.904451 (E_RNA) where: Base-Base interactions energy: -1944.855 where: short stacking energy: -805.745 Base-Backbone interact. energy: -4.828 local terms energy: -866.220895 where: bonds (distance) C4'-P energy: -186.937 bonds (distance) P-C4' energy: -174.792 flat angles C4'-P-C4' energy: -185.667 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -209.623 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: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2754.849970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.849970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.849970 (E_RNA) where: Base-Base interactions energy: -1864.404 where: short stacking energy: -813.898 Base-Backbone interact. energy: -4.180 local terms energy: -886.265843 where: bonds (distance) C4'-P energy: -160.052 bonds (distance) P-C4' energy: -168.901 flat angles C4'-P-C4' energy: -210.206 flat angles P-C4'-P energy: -123.468 tors. eta vs tors. theta energy: -223.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2577.844193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.844193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.844193 (E_RNA) where: Base-Base interactions energy: -1740.747 where: short stacking energy: -734.196 Base-Backbone interact. energy: -0.082 local terms energy: -837.015620 where: bonds (distance) C4'-P energy: -168.245 bonds (distance) P-C4' energy: -166.757 flat angles C4'-P-C4' energy: -186.582 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -193.653 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: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2295.106232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.106232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.106232 (E_RNA) where: Base-Base interactions energy: -1521.784 where: short stacking energy: -676.146 Base-Backbone interact. energy: 2.417 local terms energy: -775.738967 where: bonds (distance) C4'-P energy: -152.146 bonds (distance) P-C4' energy: -163.943 flat angles C4'-P-C4' energy: -162.800 flat angles P-C4'-P energy: -125.897 tors. eta vs tors. theta energy: -170.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2235.202839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.202839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.202839 (E_RNA) where: Base-Base interactions energy: -1484.775 where: short stacking energy: -700.398 Base-Backbone interact. energy: -1.673 local terms energy: -748.754726 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -163.701 flat angles P-C4'-P energy: -107.681 tors. eta vs tors. theta energy: -188.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1917.480715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.480715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.480715 (E_RNA) where: Base-Base interactions energy: -1251.681 where: short stacking energy: -592.545 Base-Backbone interact. energy: -0.589 local terms energy: -665.210926 where: bonds (distance) C4'-P energy: -138.312 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -143.567 flat angles P-C4'-P energy: -104.484 tors. eta vs tors. theta energy: -131.528 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: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1386.945993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.945993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.945993 (E_RNA) where: Base-Base interactions energy: -786.241 where: short stacking energy: -412.096 Base-Backbone interact. energy: 0.148 local terms energy: -600.852123 where: bonds (distance) C4'-P energy: -129.275 bonds (distance) P-C4' energy: -150.413 flat angles C4'-P-C4' energy: -163.703 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -79.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1233.248812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.248812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.248812 (E_RNA) where: Base-Base interactions energy: -689.222 where: short stacking energy: -353.805 Base-Backbone interact. energy: -1.919 local terms energy: -542.107827 where: bonds (distance) C4'-P energy: -153.359 bonds (distance) P-C4' energy: -154.253 flat angles C4'-P-C4' energy: -137.309 flat angles P-C4'-P energy: -65.206 tors. eta vs tors. theta energy: -31.980 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: 161 Temperature: 1.350000 Total energy: -881.210393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.210393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.210393 (E_RNA) where: Base-Base interactions energy: -436.598 where: short stacking energy: -290.828 Base-Backbone interact. energy: 5.020 local terms energy: -449.632305 where: bonds (distance) C4'-P energy: -134.837 bonds (distance) P-C4' energy: -140.158 flat angles C4'-P-C4' energy: -110.433 flat angles P-C4'-P energy: -65.930 tors. eta vs tors. theta energy: 1.726 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: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2973.971321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.971321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.971321 (E_RNA) where: Base-Base interactions energy: -2021.507 where: short stacking energy: -880.170 Base-Backbone interact. energy: -3.940 local terms energy: -948.524376 where: bonds (distance) C4'-P energy: -189.769 bonds (distance) P-C4' energy: -172.930 flat angles C4'-P-C4' energy: -190.112 flat angles P-C4'-P energy: -135.339 tors. eta vs tors. theta energy: -260.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2810.653750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.653750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.653750 (E_RNA) where: Base-Base interactions energy: -1927.541 where: short stacking energy: -809.628 Base-Backbone interact. energy: -1.894 local terms energy: -881.219224 where: bonds (distance) C4'-P energy: -166.877 bonds (distance) P-C4' energy: -169.291 flat angles C4'-P-C4' energy: -213.024 flat angles P-C4'-P energy: -133.720 tors. eta vs tors. theta energy: -198.307 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: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2767.506344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.506344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.506344 (E_RNA) where: Base-Base interactions energy: -1910.488 where: short stacking energy: -815.445 Base-Backbone interact. energy: -1.394 local terms energy: -855.624187 where: bonds (distance) C4'-P energy: -158.193 bonds (distance) P-C4' energy: -175.251 flat angles C4'-P-C4' energy: -187.677 flat angles P-C4'-P energy: -110.643 tors. eta vs tors. theta energy: -223.860 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: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2548.878903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.878903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.878903 (E_RNA) where: Base-Base interactions energy: -1696.663 where: short stacking energy: -733.922 Base-Backbone interact. energy: 0.609 local terms energy: -852.824880 where: bonds (distance) C4'-P energy: -155.394 bonds (distance) P-C4' energy: -178.972 flat angles C4'-P-C4' energy: -183.616 flat angles P-C4'-P energy: -135.276 tors. eta vs tors. theta energy: -199.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2317.677829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.677829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.677829 (E_RNA) where: Base-Base interactions energy: -1547.794 where: short stacking energy: -686.074 Base-Backbone interact. energy: -3.155 local terms energy: -766.728321 where: bonds (distance) C4'-P energy: -156.425 bonds (distance) P-C4' energy: -167.286 flat angles C4'-P-C4' energy: -165.159 flat angles P-C4'-P energy: -126.578 tors. eta vs tors. theta energy: -151.280 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: 162 Temperature: 1.150000 Total energy: -2239.942028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.942028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.942028 (E_RNA) where: Base-Base interactions energy: -1487.763 where: short stacking energy: -697.350 Base-Backbone interact. energy: -3.227 local terms energy: -748.952830 where: bonds (distance) C4'-P energy: -162.290 bonds (distance) P-C4' energy: -146.867 flat angles C4'-P-C4' energy: -152.777 flat angles P-C4'-P energy: -112.847 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: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1918.888735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.888735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.888735 (E_RNA) where: Base-Base interactions energy: -1205.062 where: short stacking energy: -563.623 Base-Backbone interact. energy: -0.875 local terms energy: -712.951295 where: bonds (distance) C4'-P energy: -142.074 bonds (distance) P-C4' energy: -175.430 flat angles C4'-P-C4' energy: -160.739 flat angles P-C4'-P energy: -111.992 tors. eta vs tors. theta energy: -122.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1379.561724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.561724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.561724 (E_RNA) where: Base-Base interactions energy: -815.056 where: short stacking energy: -408.331 Base-Backbone interact. energy: 11.205 local terms energy: -575.710753 where: bonds (distance) C4'-P energy: -134.581 bonds (distance) P-C4' energy: -153.187 flat angles C4'-P-C4' energy: -124.579 flat angles P-C4'-P energy: -103.344 tors. eta vs tors. theta energy: -60.020 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: 162 Temperature: 1.300000 Total energy: -1188.540212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.540212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.540212 (E_RNA) where: Base-Base interactions energy: -675.201 where: short stacking energy: -327.709 Base-Backbone interact. energy: 0.199 local terms energy: -513.538282 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -136.535 flat angles P-C4'-P energy: -97.482 tors. eta vs tors. theta energy: -12.488 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: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -893.178086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.178086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.178086 (E_RNA) where: Base-Base interactions energy: -432.572 where: short stacking energy: -275.305 Base-Backbone interact. energy: -0.833 local terms energy: -459.773039 where: bonds (distance) C4'-P energy: -132.085 bonds (distance) P-C4' energy: -151.683 flat angles C4'-P-C4' energy: -144.213 flat angles P-C4'-P energy: -54.810 tors. eta vs tors. theta energy: 23.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3022.035905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.035905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.035905 (E_RNA) where: Base-Base interactions energy: -2044.080 where: short stacking energy: -947.811 Base-Backbone interact. energy: 0.621 local terms energy: -978.577273 where: bonds (distance) C4'-P energy: -184.190 bonds (distance) P-C4' energy: -181.174 flat angles C4'-P-C4' energy: -204.515 flat angles P-C4'-P energy: -141.916 tors. eta vs tors. theta energy: -266.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2857.978360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.978360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.978360 (E_RNA) where: Base-Base interactions energy: -1979.895 where: short stacking energy: -825.313 Base-Backbone interact. energy: -0.149 local terms energy: -877.933769 where: bonds (distance) C4'-P energy: -161.983 bonds (distance) P-C4' energy: -178.420 flat angles C4'-P-C4' energy: -193.600 flat angles P-C4'-P energy: -121.315 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: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2766.888009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.888009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.888009 (E_RNA) where: Base-Base interactions energy: -1902.844 where: short stacking energy: -793.216 Base-Backbone interact. energy: -3.870 local terms energy: -860.174641 where: bonds (distance) C4'-P energy: -165.374 bonds (distance) P-C4' energy: -177.719 flat angles C4'-P-C4' energy: -189.214 flat angles P-C4'-P energy: -116.160 tors. eta vs tors. theta energy: -211.708 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: 163 Temperature: 1.050000 Total energy: -2543.177049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.177049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.177049 (E_RNA) where: Base-Base interactions energy: -1748.004 where: short stacking energy: -714.902 Base-Backbone interact. energy: -2.049 local terms energy: -793.123315 where: bonds (distance) C4'-P energy: -144.798 bonds (distance) P-C4' energy: -160.068 flat angles C4'-P-C4' energy: -178.876 flat angles P-C4'-P energy: -123.051 tors. eta vs tors. theta energy: -186.331 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: 163 Temperature: 1.100000 Total energy: -2286.556930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.556930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.556930 (E_RNA) where: Base-Base interactions energy: -1521.660 where: short stacking energy: -667.153 Base-Backbone interact. energy: -0.770 local terms energy: -764.126679 where: bonds (distance) C4'-P energy: -162.517 bonds (distance) P-C4' energy: -149.972 flat angles C4'-P-C4' energy: -179.181 flat angles P-C4'-P energy: -109.590 tors. eta vs tors. theta energy: -162.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2256.459187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.459187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.459187 (E_RNA) where: Base-Base interactions energy: -1501.932 where: short stacking energy: -673.907 Base-Backbone interact. energy: -0.271 local terms energy: -754.255386 where: bonds (distance) C4'-P energy: -147.312 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -186.983 flat angles P-C4'-P energy: -124.641 tors. eta vs tors. theta energy: -162.031 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: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1895.676860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.676860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.676860 (E_RNA) where: Base-Base interactions energy: -1220.589 where: short stacking energy: -549.008 Base-Backbone interact. energy: -0.710 local terms energy: -674.378704 where: bonds (distance) C4'-P energy: -141.090 bonds (distance) P-C4' energy: -165.760 flat angles C4'-P-C4' energy: -152.187 flat angles P-C4'-P energy: -100.604 tors. eta vs tors. theta energy: -114.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1378.556565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.556565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.556565 (E_RNA) where: Base-Base interactions energy: -768.353 where: short stacking energy: -399.938 Base-Backbone interact. energy: 2.065 local terms energy: -612.268861 where: bonds (distance) C4'-P energy: -159.252 bonds (distance) P-C4' energy: -138.224 flat angles C4'-P-C4' energy: -175.938 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -56.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1234.486730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.486730 (E_RNA) where: Base-Base interactions energy: -716.175 where: short stacking energy: -369.918 Base-Backbone interact. energy: 0.927 local terms energy: -519.238807 where: bonds (distance) C4'-P energy: -147.624 bonds (distance) P-C4' energy: -150.919 flat angles C4'-P-C4' energy: -130.189 flat angles P-C4'-P energy: -64.659 tors. eta vs tors. theta energy: -25.849 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: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -843.757442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.757442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.757442 (E_RNA) where: Base-Base interactions energy: -355.209 where: short stacking energy: -223.194 Base-Backbone interact. energy: -1.797 local terms energy: -486.751906 where: bonds (distance) C4'-P energy: -128.406 bonds (distance) P-C4' energy: -163.329 flat angles C4'-P-C4' energy: -117.705 flat angles P-C4'-P energy: -107.517 tors. eta vs tors. theta energy: 30.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3017.286231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.286231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.286231 (E_RNA) where: Base-Base interactions energy: -2038.426 where: short stacking energy: -947.565 Base-Backbone interact. energy: -3.102 local terms energy: -975.758041 where: bonds (distance) C4'-P energy: -186.710 bonds (distance) P-C4' energy: -191.242 flat angles C4'-P-C4' energy: -193.968 flat angles P-C4'-P energy: -121.054 tors. eta vs tors. theta energy: -282.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2835.164893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.164893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.164893 (E_RNA) where: Base-Base interactions energy: -1975.221 where: short stacking energy: -828.399 Base-Backbone interact. energy: 2.758 local terms energy: -862.702276 where: bonds (distance) C4'-P energy: -168.104 bonds (distance) P-C4' energy: -160.744 flat angles C4'-P-C4' energy: -193.918 flat angles P-C4'-P energy: -136.850 tors. eta vs tors. theta energy: -203.086 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: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2822.954755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.954755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.954755 (E_RNA) where: Base-Base interactions energy: -1929.415 where: short stacking energy: -807.283 Base-Backbone interact. energy: -2.692 local terms energy: -890.847256 where: bonds (distance) C4'-P energy: -160.399 bonds (distance) P-C4' energy: -175.125 flat angles C4'-P-C4' energy: -186.397 flat angles P-C4'-P energy: -138.909 tors. eta vs tors. theta energy: -230.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2606.848281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.848281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.848281 (E_RNA) where: Base-Base interactions energy: -1765.734 where: short stacking energy: -754.541 Base-Backbone interact. energy: -1.937 local terms energy: -839.177317 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -174.020 flat angles C4'-P-C4' energy: -181.943 flat angles P-C4'-P energy: -115.876 tors. eta vs tors. theta energy: -212.932 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: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2307.876203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.876203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.876203 (E_RNA) where: Base-Base interactions energy: -1521.021 where: short stacking energy: -694.601 Base-Backbone interact. energy: -3.233 local terms energy: -783.622673 where: bonds (distance) C4'-P energy: -163.332 bonds (distance) P-C4' energy: -160.913 flat angles C4'-P-C4' energy: -173.690 flat angles P-C4'-P energy: -111.390 tors. eta vs tors. theta energy: -174.297 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: 164 Temperature: 1.150000 Total energy: -2284.378811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.378811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.378811 (E_RNA) where: Base-Base interactions energy: -1531.598 where: short stacking energy: -680.565 Base-Backbone interact. energy: 3.041 local terms energy: -755.822078 where: bonds (distance) C4'-P energy: -148.143 bonds (distance) P-C4' energy: -151.695 flat angles C4'-P-C4' energy: -179.853 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -175.518 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: 7, replica: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1885.349773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.349773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.349773 (E_RNA) where: Base-Base interactions energy: -1218.966 where: short stacking energy: -573.578 Base-Backbone interact. energy: -1.218 local terms energy: -665.165912 where: bonds (distance) C4'-P energy: -151.995 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -90.686 tors. eta vs tors. theta energy: -117.699 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: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1373.973777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.973777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.973777 (E_RNA) where: Base-Base interactions energy: -777.978 where: short stacking energy: -399.792 Base-Backbone interact. energy: 2.188 local terms energy: -598.183783 where: bonds (distance) C4'-P energy: -165.889 bonds (distance) P-C4' energy: -162.465 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -65.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1267.055260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.055260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.055260 (E_RNA) where: Base-Base interactions energy: -763.367 where: short stacking energy: -379.387 Base-Backbone interact. energy: -2.066 local terms energy: -501.621878 where: bonds (distance) C4'-P energy: -127.500 bonds (distance) P-C4' energy: -134.655 flat angles C4'-P-C4' energy: -130.063 flat angles P-C4'-P energy: -92.172 tors. eta vs tors. theta energy: -17.233 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: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -900.207139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.207139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.207139 (E_RNA) where: Base-Base interactions energy: -404.662 where: short stacking energy: -270.740 Base-Backbone interact. energy: -1.825 local terms energy: -493.720202 where: bonds (distance) C4'-P energy: -147.418 bonds (distance) P-C4' energy: -159.039 flat angles C4'-P-C4' energy: -130.920 flat angles P-C4'-P energy: -71.377 tors. eta vs tors. theta energy: 15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3036.285821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.285821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.285821 (E_RNA) where: Base-Base interactions energy: -2039.994 where: short stacking energy: -909.244 Base-Backbone interact. energy: -1.192 local terms energy: -995.099291 where: bonds (distance) C4'-P energy: -171.766 bonds (distance) P-C4' energy: -191.533 flat angles C4'-P-C4' energy: -210.178 flat angles P-C4'-P energy: -139.418 tors. eta vs tors. theta energy: -282.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2873.442235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.442235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.442235 (E_RNA) where: Base-Base interactions energy: -1991.032 where: short stacking energy: -869.156 Base-Backbone interact. energy: 3.186 local terms energy: -885.595793 where: bonds (distance) C4'-P energy: -146.461 bonds (distance) P-C4' energy: -168.420 flat angles C4'-P-C4' energy: -195.381 flat angles P-C4'-P energy: -137.359 tors. eta vs tors. theta energy: -237.975 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: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2736.513235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.513235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.513235 (E_RNA) where: Base-Base interactions energy: -1898.920 where: short stacking energy: -800.512 Base-Backbone interact. energy: 3.812 local terms energy: -841.405168 where: bonds (distance) C4'-P energy: -161.249 bonds (distance) P-C4' energy: -162.457 flat angles C4'-P-C4' energy: -178.193 flat angles P-C4'-P energy: -129.794 tors. eta vs tors. theta energy: -209.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2578.342248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.342248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.342248 (E_RNA) where: Base-Base interactions energy: -1731.537 where: short stacking energy: -746.395 Base-Backbone interact. energy: -0.228 local terms energy: -846.577383 where: bonds (distance) C4'-P energy: -172.237 bonds (distance) P-C4' energy: -170.420 flat angles C4'-P-C4' energy: -193.689 flat angles P-C4'-P energy: -108.471 tors. eta vs tors. theta energy: -201.760 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: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2342.350113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.350113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.350113 (E_RNA) where: Base-Base interactions energy: -1530.066 where: short stacking energy: -717.381 Base-Backbone interact. energy: -1.434 local terms energy: -810.849332 where: bonds (distance) C4'-P energy: -161.178 bonds (distance) P-C4' energy: -172.819 flat angles C4'-P-C4' energy: -178.082 flat angles P-C4'-P energy: -113.903 tors. eta vs tors. theta energy: -184.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2438.751409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.751409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.751409 (E_RNA) where: Base-Base interactions energy: -1627.728 where: short stacking energy: -752.218 Base-Backbone interact. energy: -1.906 local terms energy: -809.117597 where: bonds (distance) C4'-P energy: -157.517 bonds (distance) P-C4' energy: -159.934 flat angles C4'-P-C4' energy: -179.292 flat angles P-C4'-P energy: -116.600 tors. eta vs tors. theta energy: -195.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1918.250707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.250707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.250707 (E_RNA) where: Base-Base interactions energy: -1261.841 where: short stacking energy: -569.491 Base-Backbone interact. energy: 0.047 local terms energy: -656.456778 where: bonds (distance) C4'-P energy: -147.219 bonds (distance) P-C4' energy: -160.867 flat angles C4'-P-C4' energy: -144.556 flat angles P-C4'-P energy: -82.517 tors. eta vs tors. theta energy: -121.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1428.586273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.586273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.586273 (E_RNA) where: Base-Base interactions energy: -849.505 where: short stacking energy: -422.028 Base-Backbone interact. energy: 0.901 local terms energy: -579.982802 where: bonds (distance) C4'-P energy: -140.559 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -137.719 flat angles P-C4'-P energy: -90.370 tors. eta vs tors. theta energy: -72.446 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: 165 Temperature: 1.300000 Total energy: -1269.185929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.185929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.185929 (E_RNA) where: Base-Base interactions energy: -698.018 where: short stacking energy: -343.713 Base-Backbone interact. energy: 2.308 local terms energy: -573.475911 where: bonds (distance) C4'-P energy: -148.906 bonds (distance) P-C4' energy: -131.157 flat angles C4'-P-C4' energy: -152.007 flat angles P-C4'-P energy: -106.911 tors. eta vs tors. theta energy: -34.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -874.620935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.620935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.620935 (E_RNA) where: Base-Base interactions energy: -411.514 where: short stacking energy: -262.408 Base-Backbone interact. energy: 10.606 local terms energy: -473.712921 where: bonds (distance) C4'-P energy: -139.092 bonds (distance) P-C4' energy: -137.715 flat angles C4'-P-C4' energy: -132.023 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: -7.975 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: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3030.432339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.432339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.432339 (E_RNA) where: Base-Base interactions energy: -2042.657 where: short stacking energy: -939.106 Base-Backbone interact. energy: -1.022 local terms energy: -986.753683 where: bonds (distance) C4'-P energy: -185.597 bonds (distance) P-C4' energy: -188.898 flat angles C4'-P-C4' energy: -208.363 flat angles P-C4'-P energy: -136.212 tors. eta vs tors. theta energy: -267.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2879.329876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.329876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.329876 (E_RNA) where: Base-Base interactions energy: -1977.673 where: short stacking energy: -865.123 Base-Backbone interact. energy: -5.646 local terms energy: -896.011343 where: bonds (distance) C4'-P energy: -175.056 bonds (distance) P-C4' energy: -167.791 flat angles C4'-P-C4' energy: -189.669 flat angles P-C4'-P energy: -127.084 tors. eta vs tors. theta energy: -236.411 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2772.261344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.261344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.261344 (E_RNA) where: Base-Base interactions energy: -1928.512 where: short stacking energy: -831.697 Base-Backbone interact. energy: 5.726 local terms energy: -849.475298 where: bonds (distance) C4'-P energy: -151.225 bonds (distance) P-C4' energy: -165.193 flat angles C4'-P-C4' energy: -186.717 flat angles P-C4'-P energy: -123.049 tors. eta vs tors. theta energy: -223.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2571.662109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.662109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.662109 (E_RNA) where: Base-Base interactions energy: -1738.018 where: short stacking energy: -770.196 Base-Backbone interact. energy: 0.022 local terms energy: -833.666219 where: bonds (distance) C4'-P energy: -178.762 bonds (distance) P-C4' energy: -154.193 flat angles C4'-P-C4' energy: -185.732 flat angles P-C4'-P energy: -113.010 tors. eta vs tors. theta energy: -201.969 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: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2500.288914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.288914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.288914 (E_RNA) where: Base-Base interactions energy: -1687.816 where: short stacking energy: -739.786 Base-Backbone interact. energy: -2.366 local terms energy: -810.107229 where: bonds (distance) C4'-P energy: -170.009 bonds (distance) P-C4' energy: -155.597 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -105.971 tors. eta vs tors. theta energy: -206.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2245.072465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.072465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.072465 (E_RNA) where: Base-Base interactions energy: -1479.262 where: short stacking energy: -651.604 Base-Backbone interact. energy: 3.276 local terms energy: -769.086096 where: bonds (distance) C4'-P energy: -173.086 bonds (distance) P-C4' energy: -167.275 flat angles C4'-P-C4' energy: -175.532 flat angles P-C4'-P energy: -103.812 tors. eta vs tors. theta energy: -149.381 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: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1884.353255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.353255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.353255 (E_RNA) where: Base-Base interactions energy: -1203.491 where: short stacking energy: -556.095 Base-Backbone interact. energy: -0.767 local terms energy: -680.095370 where: bonds (distance) C4'-P energy: -155.683 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -153.105 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -146.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1426.675546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.675546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.675546 (E_RNA) where: Base-Base interactions energy: -854.057 where: short stacking energy: -423.830 Base-Backbone interact. energy: -1.884 local terms energy: -570.734175 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -124.108 flat angles C4'-P-C4' energy: -162.017 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -42.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1275.212490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.212490 (E_RNA) where: Base-Base interactions energy: -739.037 where: short stacking energy: -398.167 Base-Backbone interact. energy: 3.767 local terms energy: -539.942255 where: bonds (distance) C4'-P energy: -149.996 bonds (distance) P-C4' energy: -141.226 flat angles C4'-P-C4' energy: -128.218 flat angles P-C4'-P energy: -77.854 tors. eta vs tors. theta energy: -42.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -857.974411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.974411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.974411 (E_RNA) where: Base-Base interactions energy: -403.516 where: short stacking energy: -250.368 Base-Backbone interact. energy: 0.957 local terms energy: -455.415387 where: bonds (distance) C4'-P energy: -126.565 bonds (distance) P-C4' energy: -128.438 flat angles C4'-P-C4' energy: -119.256 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: 0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2971.309319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.309319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.309319 (E_RNA) where: Base-Base interactions energy: -1992.442 where: short stacking energy: -916.923 Base-Backbone interact. energy: -3.318 local terms energy: -975.549301 where: bonds (distance) C4'-P energy: -169.329 bonds (distance) P-C4' energy: -186.018 flat angles C4'-P-C4' energy: -214.615 flat angles P-C4'-P energy: -129.187 tors. eta vs tors. theta energy: -276.400 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: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2874.950680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.950680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.950680 (E_RNA) where: Base-Base interactions energy: -1978.399 where: short stacking energy: -836.372 Base-Backbone interact. energy: -1.474 local terms energy: -895.077794 where: bonds (distance) C4'-P energy: -170.074 bonds (distance) P-C4' energy: -179.157 flat angles C4'-P-C4' energy: -200.657 flat angles P-C4'-P energy: -122.449 tors. eta vs tors. theta energy: -222.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2751.083010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.083010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.083010 (E_RNA) where: Base-Base interactions energy: -1881.827 where: short stacking energy: -776.197 Base-Backbone interact. energy: -2.225 local terms energy: -867.030574 where: bonds (distance) C4'-P energy: -168.753 bonds (distance) P-C4' energy: -170.131 flat angles C4'-P-C4' energy: -191.759 flat angles P-C4'-P energy: -121.380 tors. eta vs tors. theta energy: -215.008 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: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2560.834714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.834714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.834714 (E_RNA) where: Base-Base interactions energy: -1714.957 where: short stacking energy: -749.837 Base-Backbone interact. energy: -3.041 local terms energy: -842.836436 where: bonds (distance) C4'-P energy: -163.479 bonds (distance) P-C4' energy: -158.266 flat angles C4'-P-C4' energy: -198.138 flat angles P-C4'-P energy: -125.743 tors. eta vs tors. theta energy: -197.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2514.527110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.527110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.527110 (E_RNA) where: Base-Base interactions energy: -1664.052 where: short stacking energy: -737.818 Base-Backbone interact. energy: 0.060 local terms energy: -850.534756 where: bonds (distance) C4'-P energy: -159.709 bonds (distance) P-C4' energy: -183.980 flat angles C4'-P-C4' energy: -187.069 flat angles P-C4'-P energy: -128.948 tors. eta vs tors. theta energy: -190.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2153.720293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.720293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.720293 (E_RNA) where: Base-Base interactions energy: -1476.710 where: short stacking energy: -646.460 Base-Backbone interact. energy: -4.201 local terms energy: -672.808464 where: bonds (distance) C4'-P energy: -157.747 bonds (distance) P-C4' energy: -130.255 flat angles C4'-P-C4' energy: -148.989 flat angles P-C4'-P energy: -90.025 tors. eta vs tors. theta energy: -145.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1868.110028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.110028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.110028 (E_RNA) where: Base-Base interactions energy: -1220.082 where: short stacking energy: -536.003 Base-Backbone interact. energy: 6.869 local terms energy: -654.896966 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -157.325 flat angles C4'-P-C4' energy: -161.488 flat angles P-C4'-P energy: -82.553 tors. eta vs tors. theta energy: -113.362 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: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1363.887851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.887851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.887851 (E_RNA) where: Base-Base interactions energy: -775.350 where: short stacking energy: -393.573 Base-Backbone interact. energy: 3.627 local terms energy: -592.164895 where: bonds (distance) C4'-P energy: -166.143 bonds (distance) P-C4' energy: -151.226 flat angles C4'-P-C4' energy: -141.628 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -54.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1241.398903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.398903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.398903 (E_RNA) where: Base-Base interactions energy: -706.657 where: short stacking energy: -372.936 Base-Backbone interact. energy: -1.896 local terms energy: -532.846438 where: bonds (distance) C4'-P energy: -136.026 bonds (distance) P-C4' energy: -144.149 flat angles C4'-P-C4' energy: -132.959 flat angles P-C4'-P energy: -94.070 tors. eta vs tors. theta energy: -25.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -833.690512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.690512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.690512 (E_RNA) where: Base-Base interactions energy: -396.038 where: short stacking energy: -271.423 Base-Backbone interact. energy: 10.697 local terms energy: -448.349821 where: bonds (distance) C4'-P energy: -121.523 bonds (distance) P-C4' energy: -159.571 flat angles C4'-P-C4' energy: -109.913 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: 7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2947.554914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.554914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.554914 (E_RNA) where: Base-Base interactions energy: -2017.074 where: short stacking energy: -853.353 Base-Backbone interact. energy: 1.578 local terms energy: -932.058925 where: bonds (distance) C4'-P energy: -165.782 bonds (distance) P-C4' energy: -178.107 flat angles C4'-P-C4' energy: -198.864 flat angles P-C4'-P energy: -152.670 tors. eta vs tors. theta energy: -236.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2921.773200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.773200 (E_RNA) where: Base-Base interactions energy: -1995.260 where: short stacking energy: -902.184 Base-Backbone interact. energy: -3.118 local terms energy: -923.395102 where: bonds (distance) C4'-P energy: -179.652 bonds (distance) P-C4' energy: -172.836 flat angles C4'-P-C4' energy: -201.695 flat angles P-C4'-P energy: -102.809 tors. eta vs tors. theta energy: -266.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2718.812214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.812214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.812214 (E_RNA) where: Base-Base interactions energy: -1858.356 where: short stacking energy: -831.529 Base-Backbone interact. energy: -5.177 local terms energy: -855.278971 where: bonds (distance) C4'-P energy: -179.899 bonds (distance) P-C4' energy: -159.235 flat angles C4'-P-C4' energy: -191.690 flat angles P-C4'-P energy: -114.959 tors. eta vs tors. theta energy: -209.496 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: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2562.140592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.140592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.140592 (E_RNA) where: Base-Base interactions energy: -1739.195 where: short stacking energy: -727.422 Base-Backbone interact. energy: -1.995 local terms energy: -820.950845 where: bonds (distance) C4'-P energy: -157.173 bonds (distance) P-C4' energy: -165.133 flat angles C4'-P-C4' energy: -188.665 flat angles P-C4'-P energy: -122.098 tors. eta vs tors. theta energy: -187.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2500.765596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.765596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.765596 (E_RNA) where: Base-Base interactions energy: -1670.127 where: short stacking energy: -768.155 Base-Backbone interact. energy: -3.184 local terms energy: -827.454670 where: bonds (distance) C4'-P energy: -139.290 bonds (distance) P-C4' energy: -165.859 flat angles C4'-P-C4' energy: -185.434 flat angles P-C4'-P energy: -120.284 tors. eta vs tors. theta energy: -216.588 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2192.244908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.244908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.244908 (E_RNA) where: Base-Base interactions energy: -1474.517 where: short stacking energy: -650.787 Base-Backbone interact. energy: -1.037 local terms energy: -716.690996 where: bonds (distance) C4'-P energy: -128.009 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -174.509 flat angles P-C4'-P energy: -105.250 tors. eta vs tors. theta energy: -156.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1817.834884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.834884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.834884 (E_RNA) where: Base-Base interactions energy: -1189.122 where: short stacking energy: -518.218 Base-Backbone interact. energy: 2.135 local terms energy: -630.848470 where: bonds (distance) C4'-P energy: -152.845 bonds (distance) P-C4' energy: -152.835 flat angles C4'-P-C4' energy: -153.402 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -91.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1333.979846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.979846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.979846 (E_RNA) where: Base-Base interactions energy: -751.395 where: short stacking energy: -390.967 Base-Backbone interact. energy: -2.858 local terms energy: -579.726354 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -134.391 flat angles P-C4'-P energy: -116.833 tors. eta vs tors. theta energy: -43.978 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: 168 Temperature: 1.300000 Total energy: -1283.236406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.236406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.236406 (E_RNA) where: Base-Base interactions energy: -736.449 where: short stacking energy: -362.007 Base-Backbone interact. energy: -1.707 local terms energy: -545.080857 where: bonds (distance) C4'-P energy: -131.157 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -40.886 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: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -808.674446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.674446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.674446 (E_RNA) where: Base-Base interactions energy: -344.015 where: short stacking energy: -219.194 Base-Backbone interact. energy: 4.474 local terms energy: -469.133362 where: bonds (distance) C4'-P energy: -160.177 bonds (distance) P-C4' energy: -156.821 flat angles C4'-P-C4' energy: -114.263 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: 26.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3011.270155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.270155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.270155 (E_RNA) where: Base-Base interactions energy: -2066.815 where: short stacking energy: -881.340 Base-Backbone interact. energy: -5.364 local terms energy: -939.091609 where: bonds (distance) C4'-P energy: -164.469 bonds (distance) P-C4' energy: -194.864 flat angles C4'-P-C4' energy: -190.488 flat angles P-C4'-P energy: -146.885 tors. eta vs tors. theta energy: -242.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2869.092210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.092210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.092210 (E_RNA) where: Base-Base interactions energy: -1948.001 where: short stacking energy: -876.935 Base-Backbone interact. energy: -2.403 local terms energy: -918.688524 where: bonds (distance) C4'-P energy: -173.162 bonds (distance) P-C4' energy: -151.957 flat angles C4'-P-C4' energy: -193.687 flat angles P-C4'-P energy: -129.352 tors. eta vs tors. theta energy: -270.530 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2716.770525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.770525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.770525 (E_RNA) where: Base-Base interactions energy: -1868.719 where: short stacking energy: -785.354 Base-Backbone interact. energy: -1.443 local terms energy: -846.609064 where: bonds (distance) C4'-P energy: -172.008 bonds (distance) P-C4' energy: -169.414 flat angles C4'-P-C4' energy: -173.086 flat angles P-C4'-P energy: -134.021 tors. eta vs tors. theta energy: -198.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2561.876963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.876963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.876963 (E_RNA) where: Base-Base interactions energy: -1713.268 where: short stacking energy: -744.086 Base-Backbone interact. energy: -2.474 local terms energy: -846.135367 where: bonds (distance) C4'-P energy: -173.270 bonds (distance) P-C4' energy: -160.403 flat angles C4'-P-C4' energy: -180.941 flat angles P-C4'-P energy: -130.187 tors. eta vs tors. theta energy: -201.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2542.994199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.994199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.994199 (E_RNA) where: Base-Base interactions energy: -1725.480 where: short stacking energy: -790.657 Base-Backbone interact. energy: -0.880 local terms energy: -816.634073 where: bonds (distance) C4'-P energy: -162.724 bonds (distance) P-C4' energy: -171.767 flat angles C4'-P-C4' energy: -175.943 flat angles P-C4'-P energy: -90.866 tors. eta vs tors. theta energy: -215.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2181.557967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.557967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.557967 (E_RNA) where: Base-Base interactions energy: -1452.721 where: short stacking energy: -646.897 Base-Backbone interact. energy: 0.358 local terms energy: -729.195167 where: bonds (distance) C4'-P energy: -143.184 bonds (distance) P-C4' energy: -173.414 flat angles C4'-P-C4' energy: -171.500 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -151.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1746.413271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.413271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.413271 (E_RNA) where: Base-Base interactions energy: -1142.425 where: short stacking energy: -509.963 Base-Backbone interact. energy: 2.875 local terms energy: -606.863788 where: bonds (distance) C4'-P energy: -152.720 bonds (distance) P-C4' energy: -147.864 flat angles C4'-P-C4' energy: -110.527 flat angles P-C4'-P energy: -105.444 tors. eta vs tors. theta energy: -90.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1314.993141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.993141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.993141 (E_RNA) where: Base-Base interactions energy: -735.846 where: short stacking energy: -369.165 Base-Backbone interact. energy: 1.134 local terms energy: -580.281228 where: bonds (distance) C4'-P energy: -137.447 bonds (distance) P-C4' energy: -158.025 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -57.049 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: 169 Temperature: 1.300000 Total energy: -1328.397163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.397163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.397163 (E_RNA) where: Base-Base interactions energy: -783.985 where: short stacking energy: -373.968 Base-Backbone interact. energy: 3.446 local terms energy: -547.858308 where: bonds (distance) C4'-P energy: -140.159 bonds (distance) P-C4' energy: -155.118 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -29.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -851.901633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.901633 (E_RNA) where: Base-Base interactions energy: -391.238 where: short stacking energy: -259.165 Base-Backbone interact. energy: -2.316 local terms energy: -458.347827 where: bonds (distance) C4'-P energy: -128.223 bonds (distance) P-C4' energy: -143.041 flat angles C4'-P-C4' energy: -135.002 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: 13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3006.829928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.829928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.829928 (E_RNA) where: Base-Base interactions energy: -2063.459 where: short stacking energy: -871.054 Base-Backbone interact. energy: -4.707 local terms energy: -938.663874 where: bonds (distance) C4'-P energy: -184.532 bonds (distance) P-C4' energy: -178.196 flat angles C4'-P-C4' energy: -185.815 flat angles P-C4'-P energy: -137.125 tors. eta vs tors. theta energy: -252.996 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: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2929.481732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.481732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.481732 (E_RNA) where: Base-Base interactions energy: -1981.982 where: short stacking energy: -913.292 Base-Backbone interact. energy: -2.486 local terms energy: -945.013738 where: bonds (distance) C4'-P energy: -160.601 bonds (distance) P-C4' energy: -182.541 flat angles C4'-P-C4' energy: -205.680 flat angles P-C4'-P energy: -124.068 tors. eta vs tors. theta energy: -272.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2731.100248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.100248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.100248 (E_RNA) where: Base-Base interactions energy: -1861.029 where: short stacking energy: -808.892 Base-Backbone interact. energy: -0.603 local terms energy: -869.467594 where: bonds (distance) C4'-P energy: -157.982 bonds (distance) P-C4' energy: -183.042 flat angles C4'-P-C4' energy: -186.365 flat angles P-C4'-P energy: -127.310 tors. eta vs tors. theta energy: -214.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2582.686808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.686808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.686808 (E_RNA) where: Base-Base interactions energy: -1739.458 where: short stacking energy: -730.838 Base-Backbone interact. energy: -1.970 local terms energy: -841.259732 where: bonds (distance) C4'-P energy: -146.823 bonds (distance) P-C4' energy: -171.297 flat angles C4'-P-C4' energy: -188.124 flat angles P-C4'-P energy: -128.537 tors. eta vs tors. theta energy: -206.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2472.981696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.981696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.981696 (E_RNA) where: Base-Base interactions energy: -1680.805 where: short stacking energy: -761.806 Base-Backbone interact. energy: -1.085 local terms energy: -791.091772 where: bonds (distance) C4'-P energy: -158.594 bonds (distance) P-C4' energy: -149.784 flat angles C4'-P-C4' energy: -177.801 flat angles P-C4'-P energy: -97.420 tors. eta vs tors. theta energy: -207.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2132.102186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.102186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.102186 (E_RNA) where: Base-Base interactions energy: -1426.370 where: short stacking energy: -631.381 Base-Backbone interact. energy: 1.361 local terms energy: -707.092640 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -157.682 flat angles C4'-P-C4' energy: -156.681 flat angles P-C4'-P energy: -105.464 tors. eta vs tors. theta energy: -147.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1752.821018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.821018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.821018 (E_RNA) where: Base-Base interactions energy: -1114.797 where: short stacking energy: -506.201 Base-Backbone interact. energy: 0.275 local terms energy: -638.298828 where: bonds (distance) C4'-P energy: -125.126 bonds (distance) P-C4' energy: -157.983 flat angles C4'-P-C4' energy: -153.826 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -98.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1300.584740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.584740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.584740 (E_RNA) where: Base-Base interactions energy: -710.686 where: short stacking energy: -386.225 Base-Backbone interact. energy: -2.246 local terms energy: -587.652681 where: bonds (distance) C4'-P energy: -155.330 bonds (distance) P-C4' energy: -174.453 flat angles C4'-P-C4' energy: -133.404 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -32.580 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: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1172.335772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.335772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.335772 (E_RNA) where: Base-Base interactions energy: -654.856 where: short stacking energy: -333.472 Base-Backbone interact. energy: -1.823 local terms energy: -515.656296 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -137.197 flat angles C4'-P-C4' energy: -135.598 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -23.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -873.908273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.908273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.908273 (E_RNA) where: Base-Base interactions energy: -415.802 where: short stacking energy: -250.778 Base-Backbone interact. energy: 0.974 local terms energy: -459.080505 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -151.581 flat angles C4'-P-C4' energy: -110.558 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: 17.319 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: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3019.304838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.304838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.304838 (E_RNA) where: Base-Base interactions energy: -2070.773 where: short stacking energy: -893.093 Base-Backbone interact. energy: 2.793 local terms energy: -951.324033 where: bonds (distance) C4'-P energy: -181.137 bonds (distance) P-C4' energy: -190.628 flat angles C4'-P-C4' energy: -193.031 flat angles P-C4'-P energy: -143.919 tors. eta vs tors. theta energy: -242.608 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: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2976.064657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.064657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.064657 (E_RNA) where: Base-Base interactions energy: -1988.275 where: short stacking energy: -938.685 Base-Backbone interact. energy: -1.408 local terms energy: -986.381650 where: bonds (distance) C4'-P energy: -176.647 bonds (distance) P-C4' energy: -188.048 flat angles C4'-P-C4' energy: -213.125 flat angles P-C4'-P energy: -132.703 tors. eta vs tors. theta energy: -275.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2711.118566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.118566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.118566 (E_RNA) where: Base-Base interactions energy: -1867.655 where: short stacking energy: -794.084 Base-Backbone interact. energy: 1.170 local terms energy: -844.633568 where: bonds (distance) C4'-P energy: -176.182 bonds (distance) P-C4' energy: -153.687 flat angles C4'-P-C4' energy: -198.032 flat angles P-C4'-P energy: -119.562 tors. eta vs tors. theta energy: -197.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2584.329497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.329497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.329497 (E_RNA) where: Base-Base interactions energy: -1743.485 where: short stacking energy: -791.229 Base-Backbone interact. energy: -1.811 local terms energy: -839.034053 where: bonds (distance) C4'-P energy: -149.538 bonds (distance) P-C4' energy: -177.572 flat angles C4'-P-C4' energy: -186.852 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -216.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2451.671914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.671914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.671914 (E_RNA) where: Base-Base interactions energy: -1638.909 where: short stacking energy: -669.045 Base-Backbone interact. energy: 1.594 local terms energy: -814.356374 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -172.631 flat angles C4'-P-C4' energy: -174.473 flat angles P-C4'-P energy: -122.024 tors. eta vs tors. theta energy: -189.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2164.532430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.532430 (E_RNA) where: Base-Base interactions energy: -1436.647 where: short stacking energy: -622.854 Base-Backbone interact. energy: -2.521 local terms energy: -725.364829 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -142.293 flat angles C4'-P-C4' energy: -183.743 flat angles P-C4'-P energy: -108.422 tors. eta vs tors. theta energy: -147.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1735.268475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.268475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.268475 (E_RNA) where: Base-Base interactions energy: -1075.585 where: short stacking energy: -494.707 Base-Backbone interact. energy: 1.975 local terms energy: -661.658473 where: bonds (distance) C4'-P energy: -148.203 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -154.588 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -94.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1316.446930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.446930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.446930 (E_RNA) where: Base-Base interactions energy: -745.198 where: short stacking energy: -365.242 Base-Backbone interact. energy: 9.189 local terms energy: -580.437713 where: bonds (distance) C4'-P energy: -161.956 bonds (distance) P-C4' energy: -160.713 flat angles C4'-P-C4' energy: -119.480 flat angles P-C4'-P energy: -95.404 tors. eta vs tors. theta energy: -42.885 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: 171 Temperature: 1.300000 Total energy: -1167.016449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.016449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.016449 (E_RNA) where: Base-Base interactions energy: -682.263 where: short stacking energy: -333.971 Base-Backbone interact. energy: 4.675 local terms energy: -489.429287 where: bonds (distance) C4'-P energy: -136.833 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -43.258 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: 171 Temperature: 1.350000 Total energy: -845.719995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.719995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.719995 (E_RNA) where: Base-Base interactions energy: -388.996 where: short stacking energy: -250.429 Base-Backbone interact. energy: 2.315 local terms energy: -459.038528 where: bonds (distance) C4'-P energy: -157.670 bonds (distance) P-C4' energy: -142.602 flat angles C4'-P-C4' energy: -103.307 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: 18.131 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: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2938.667417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.667417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.667417 (E_RNA) where: Base-Base interactions energy: -2002.650 where: short stacking energy: -883.519 Base-Backbone interact. energy: -5.631 local terms energy: -930.385872 where: bonds (distance) C4'-P energy: -171.999 bonds (distance) P-C4' energy: -178.172 flat angles C4'-P-C4' energy: -196.693 flat angles P-C4'-P energy: -136.756 tors. eta vs tors. theta energy: -246.765 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: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2921.345119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.345119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.345119 (E_RNA) where: Base-Base interactions energy: -1971.011 where: short stacking energy: -912.592 Base-Backbone interact. energy: -1.511 local terms energy: -948.823405 where: bonds (distance) C4'-P energy: -167.262 bonds (distance) P-C4' energy: -183.890 flat angles C4'-P-C4' energy: -209.480 flat angles P-C4'-P energy: -128.953 tors. eta vs tors. theta energy: -259.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2733.488371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.488371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.488371 (E_RNA) where: Base-Base interactions energy: -1827.661 where: short stacking energy: -857.971 Base-Backbone interact. energy: 0.533 local terms energy: -906.360482 where: bonds (distance) C4'-P energy: -174.463 bonds (distance) P-C4' energy: -156.808 flat angles C4'-P-C4' energy: -210.473 flat angles P-C4'-P energy: -126.356 tors. eta vs tors. theta energy: -238.261 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: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2629.161210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.161210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.161210 (E_RNA) where: Base-Base interactions energy: -1784.761 where: short stacking energy: -770.969 Base-Backbone interact. energy: -2.944 local terms energy: -841.455627 where: bonds (distance) C4'-P energy: -150.545 bonds (distance) P-C4' energy: -168.060 flat angles C4'-P-C4' energy: -185.112 flat angles P-C4'-P energy: -134.038 tors. eta vs tors. theta energy: -203.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2522.594577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.594577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.594577 (E_RNA) where: Base-Base interactions energy: -1727.823 where: short stacking energy: -750.647 Base-Backbone interact. energy: -2.580 local terms energy: -792.190848 where: bonds (distance) C4'-P energy: -164.727 bonds (distance) P-C4' energy: -150.911 flat angles C4'-P-C4' energy: -177.842 flat angles P-C4'-P energy: -105.458 tors. eta vs tors. theta energy: -193.252 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: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2162.654891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.654891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.654891 (E_RNA) where: Base-Base interactions energy: -1423.456 where: short stacking energy: -649.026 Base-Backbone interact. energy: 2.139 local terms energy: -741.337449 where: bonds (distance) C4'-P energy: -152.437 bonds (distance) P-C4' energy: -166.417 flat angles C4'-P-C4' energy: -180.289 flat angles P-C4'-P energy: -101.399 tors. eta vs tors. theta energy: -140.795 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: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1707.830500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.830500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.830500 (E_RNA) where: Base-Base interactions energy: -1076.975 where: short stacking energy: -474.718 Base-Backbone interact. energy: -1.769 local terms energy: -629.086328 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -153.461 flat angles C4'-P-C4' energy: -143.498 flat angles P-C4'-P energy: -95.193 tors. eta vs tors. theta energy: -89.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1370.088184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.088184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.088184 (E_RNA) where: Base-Base interactions energy: -801.071 where: short stacking energy: -392.584 Base-Backbone interact. energy: 4.339 local terms energy: -573.356086 where: bonds (distance) C4'-P energy: -148.650 bonds (distance) P-C4' energy: -151.801 flat angles C4'-P-C4' energy: -152.801 flat angles P-C4'-P energy: -73.435 tors. eta vs tors. theta energy: -46.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1118.047872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.047872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.047872 (E_RNA) where: Base-Base interactions energy: -569.635 where: short stacking energy: -320.175 Base-Backbone interact. energy: 2.318 local terms energy: -550.730212 where: bonds (distance) C4'-P energy: -144.343 bonds (distance) P-C4' energy: -132.550 flat angles C4'-P-C4' energy: -147.561 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -33.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -852.439169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.439169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.439169 (E_RNA) where: Base-Base interactions energy: -399.660 where: short stacking energy: -233.259 Base-Backbone interact. energy: 1.243 local terms energy: -454.021868 where: bonds (distance) C4'-P energy: -132.842 bonds (distance) P-C4' energy: -141.793 flat angles C4'-P-C4' energy: -114.912 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: 10.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2980.796751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.796751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.796751 (E_RNA) where: Base-Base interactions energy: -2035.570 where: short stacking energy: -881.753 Base-Backbone interact. energy: -2.761 local terms energy: -942.465207 where: bonds (distance) C4'-P energy: -185.149 bonds (distance) P-C4' energy: -180.779 flat angles C4'-P-C4' energy: -202.971 flat angles P-C4'-P energy: -124.547 tors. eta vs tors. theta energy: -249.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2948.129825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.129825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.129825 (E_RNA) where: Base-Base interactions energy: -2044.790 where: short stacking energy: -944.735 Base-Backbone interact. energy: -2.596 local terms energy: -900.744298 where: bonds (distance) C4'-P energy: -161.420 bonds (distance) P-C4' energy: -162.370 flat angles C4'-P-C4' energy: -190.087 flat angles P-C4'-P energy: -113.594 tors. eta vs tors. theta energy: -273.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2729.903723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.903723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.903723 (E_RNA) where: Base-Base interactions energy: -1814.837 where: short stacking energy: -838.591 Base-Backbone interact. energy: -1.284 local terms energy: -913.782197 where: bonds (distance) C4'-P energy: -164.879 bonds (distance) P-C4' energy: -188.723 flat angles C4'-P-C4' energy: -191.430 flat angles P-C4'-P energy: -132.766 tors. eta vs tors. theta energy: -235.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2676.151649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.151649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.151649 (E_RNA) where: Base-Base interactions energy: -1819.887 where: short stacking energy: -798.240 Base-Backbone interact. energy: -2.324 local terms energy: -853.940784 where: bonds (distance) C4'-P energy: -171.717 bonds (distance) P-C4' energy: -182.295 flat angles C4'-P-C4' energy: -180.139 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -208.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2474.684524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.684524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.684524 (E_RNA) where: Base-Base interactions energy: -1675.313 where: short stacking energy: -699.346 Base-Backbone interact. energy: -1.137 local terms energy: -798.235018 where: bonds (distance) C4'-P energy: -148.299 bonds (distance) P-C4' energy: -169.791 flat angles C4'-P-C4' energy: -186.446 flat angles P-C4'-P energy: -107.760 tors. eta vs tors. theta energy: -185.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2166.590672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.590672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.590672 (E_RNA) where: Base-Base interactions energy: -1432.078 where: short stacking energy: -641.491 Base-Backbone interact. energy: -3.672 local terms energy: -730.840583 where: bonds (distance) C4'-P energy: -130.653 bonds (distance) P-C4' energy: -157.606 flat angles C4'-P-C4' energy: -183.059 flat angles P-C4'-P energy: -99.923 tors. eta vs tors. theta energy: -159.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1691.221642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.221642 (E_RNA) where: Base-Base interactions energy: -1066.891 where: short stacking energy: -484.570 Base-Backbone interact. energy: 7.822 local terms energy: -632.152227 where: bonds (distance) C4'-P energy: -150.871 bonds (distance) P-C4' energy: -151.703 flat angles C4'-P-C4' energy: -152.845 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -93.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1319.662970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.662970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.662970 (E_RNA) where: Base-Base interactions energy: -753.660 where: short stacking energy: -377.134 Base-Backbone interact. energy: 0.307 local terms energy: -566.310056 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -144.584 flat angles C4'-P-C4' energy: -147.822 flat angles P-C4'-P energy: -86.083 tors. eta vs tors. theta energy: -46.493 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: 173 Temperature: 1.300000 Total energy: -1262.048188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.048188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.048188 (E_RNA) where: Base-Base interactions energy: -741.916 where: short stacking energy: -381.351 Base-Backbone interact. energy: -1.964 local terms energy: -518.167721 where: bonds (distance) C4'-P energy: -126.960 bonds (distance) P-C4' energy: -141.181 flat angles C4'-P-C4' energy: -131.995 flat angles P-C4'-P energy: -79.473 tors. eta vs tors. theta energy: -38.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -818.356311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.356311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.356311 (E_RNA) where: Base-Base interactions energy: -396.785 where: short stacking energy: -251.698 Base-Backbone interact. energy: -0.589 local terms energy: -420.982640 where: bonds (distance) C4'-P energy: -126.476 bonds (distance) P-C4' energy: -127.488 flat angles C4'-P-C4' energy: -115.604 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: 13.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2997.519112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.519112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.519112 (E_RNA) where: Base-Base interactions energy: -2017.792 where: short stacking energy: -968.586 Base-Backbone interact. energy: -1.291 local terms energy: -978.436208 where: bonds (distance) C4'-P energy: -176.767 bonds (distance) P-C4' energy: -183.995 flat angles C4'-P-C4' energy: -201.001 flat angles P-C4'-P energy: -134.266 tors. eta vs tors. theta energy: -282.407 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: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2872.863778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.863778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.863778 (E_RNA) where: Base-Base interactions energy: -1933.582 where: short stacking energy: -876.352 Base-Backbone interact. energy: -3.791 local terms energy: -935.490870 where: bonds (distance) C4'-P energy: -178.657 bonds (distance) P-C4' energy: -180.036 flat angles C4'-P-C4' energy: -194.355 flat angles P-C4'-P energy: -133.299 tors. eta vs tors. theta energy: -249.144 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: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2751.631056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.631056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.631056 (E_RNA) where: Base-Base interactions energy: -1850.553 where: short stacking energy: -844.594 Base-Backbone interact. energy: -1.720 local terms energy: -899.358079 where: bonds (distance) C4'-P energy: -164.885 bonds (distance) P-C4' energy: -167.445 flat angles C4'-P-C4' energy: -189.192 flat angles P-C4'-P energy: -130.349 tors. eta vs tors. theta energy: -247.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2645.047737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.047737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.047737 (E_RNA) where: Base-Base interactions energy: -1791.036 where: short stacking energy: -761.626 Base-Backbone interact. energy: -2.956 local terms energy: -851.056045 where: bonds (distance) C4'-P energy: -154.001 bonds (distance) P-C4' energy: -173.864 flat angles C4'-P-C4' energy: -197.037 flat angles P-C4'-P energy: -126.233 tors. eta vs tors. theta energy: -199.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2407.463065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.463065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.463065 (E_RNA) where: Base-Base interactions energy: -1604.070 where: short stacking energy: -739.633 Base-Backbone interact. energy: -2.753 local terms energy: -800.640087 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -156.071 flat angles C4'-P-C4' energy: -186.897 flat angles P-C4'-P energy: -114.756 tors. eta vs tors. theta energy: -188.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2128.517437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.517437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.517437 (E_RNA) where: Base-Base interactions energy: -1398.387 where: short stacking energy: -601.314 Base-Backbone interact. energy: 1.491 local terms energy: -731.621850 where: bonds (distance) C4'-P energy: -142.227 bonds (distance) P-C4' energy: -164.422 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -115.238 tors. eta vs tors. theta energy: -140.609 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: 174 Temperature: 1.200000 Total energy: -1751.645529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.645529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.645529 (E_RNA) where: Base-Base interactions energy: -1141.202 where: short stacking energy: -514.584 Base-Backbone interact. energy: -2.465 local terms energy: -607.978964 where: bonds (distance) C4'-P energy: -127.487 bonds (distance) P-C4' energy: -159.229 flat angles C4'-P-C4' energy: -153.739 flat angles P-C4'-P energy: -89.175 tors. eta vs tors. theta energy: -78.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1335.773235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.773235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.773235 (E_RNA) where: Base-Base interactions energy: -783.839 where: short stacking energy: -388.390 Base-Backbone interact. energy: -1.911 local terms energy: -550.023231 where: bonds (distance) C4'-P energy: -143.460 bonds (distance) P-C4' energy: -150.177 flat angles C4'-P-C4' energy: -139.661 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -49.873 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: 174 Temperature: 1.300000 Total energy: -1216.893354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.893354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.893354 (E_RNA) where: Base-Base interactions energy: -676.380 where: short stacking energy: -338.233 Base-Backbone interact. energy: 0.144 local terms energy: -540.657345 where: bonds (distance) C4'-P energy: -139.145 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -139.967 flat angles P-C4'-P energy: -91.786 tors. eta vs tors. theta energy: -17.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -846.036998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.036998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.036998 (E_RNA) where: Base-Base interactions energy: -414.563 where: short stacking energy: -237.566 Base-Backbone interact. energy: -5.117 local terms energy: -426.356950 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -114.251 flat angles P-C4'-P energy: -86.993 tors. eta vs tors. theta energy: 35.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2976.256952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.256952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.256952 (E_RNA) where: Base-Base interactions energy: -2016.350 where: short stacking energy: -901.236 Base-Backbone interact. energy: -1.442 local terms energy: -958.464912 where: bonds (distance) C4'-P energy: -188.125 bonds (distance) P-C4' energy: -169.936 flat angles C4'-P-C4' energy: -198.763 flat angles P-C4'-P energy: -131.391 tors. eta vs tors. theta energy: -270.250 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: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2892.187431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.187431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.187431 (E_RNA) where: Base-Base interactions energy: -1999.391 where: short stacking energy: -884.203 Base-Backbone interact. energy: -7.057 local terms energy: -885.739479 where: bonds (distance) C4'-P energy: -171.946 bonds (distance) P-C4' energy: -169.982 flat angles C4'-P-C4' energy: -186.269 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -253.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2675.009042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.009042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.009042 (E_RNA) where: Base-Base interactions energy: -1794.795 where: short stacking energy: -781.211 Base-Backbone interact. energy: -0.189 local terms energy: -880.024541 where: bonds (distance) C4'-P energy: -175.555 bonds (distance) P-C4' energy: -176.613 flat angles C4'-P-C4' energy: -180.005 flat angles P-C4'-P energy: -125.353 tors. eta vs tors. theta energy: -222.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2597.403909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.403909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.403909 (E_RNA) where: Base-Base interactions energy: -1817.310 where: short stacking energy: -760.141 Base-Backbone interact. energy: 0.469 local terms energy: -780.563387 where: bonds (distance) C4'-P energy: -151.409 bonds (distance) P-C4' energy: -155.357 flat angles C4'-P-C4' energy: -171.398 flat angles P-C4'-P energy: -112.311 tors. eta vs tors. theta energy: -190.089 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: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2448.573414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.573414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.573414 (E_RNA) where: Base-Base interactions energy: -1634.446 where: short stacking energy: -724.420 Base-Backbone interact. energy: 0.842 local terms energy: -814.969580 where: bonds (distance) C4'-P energy: -150.687 bonds (distance) P-C4' energy: -152.923 flat angles C4'-P-C4' energy: -187.364 flat angles P-C4'-P energy: -113.915 tors. eta vs tors. theta energy: -210.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2175.801108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.801108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.801108 (E_RNA) where: Base-Base interactions energy: -1450.852 where: short stacking energy: -630.460 Base-Backbone interact. energy: -0.342 local terms energy: -724.607440 where: bonds (distance) C4'-P energy: -139.783 bonds (distance) P-C4' energy: -169.384 flat angles C4'-P-C4' energy: -166.842 flat angles P-C4'-P energy: -84.123 tors. eta vs tors. theta energy: -164.476 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: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1748.478843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.478843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.478843 (E_RNA) where: Base-Base interactions energy: -1122.413 where: short stacking energy: -523.622 Base-Backbone interact. energy: -2.792 local terms energy: -623.274321 where: bonds (distance) C4'-P energy: -137.459 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -136.764 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -97.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1303.576685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.576685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.576685 (E_RNA) where: Base-Base interactions energy: -701.954 where: short stacking energy: -367.574 Base-Backbone interact. energy: -5.146 local terms energy: -596.477360 where: bonds (distance) C4'-P energy: -172.136 bonds (distance) P-C4' energy: -155.470 flat angles C4'-P-C4' energy: -123.780 flat angles P-C4'-P energy: -93.853 tors. eta vs tors. theta energy: -51.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1210.915445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.915445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.915445 (E_RNA) where: Base-Base interactions energy: -697.261 where: short stacking energy: -366.140 Base-Backbone interact. energy: -1.124 local terms energy: -512.530748 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -145.241 flat angles C4'-P-C4' energy: -124.044 flat angles P-C4'-P energy: -75.418 tors. eta vs tors. theta energy: -41.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -882.284832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.284832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.284832 (E_RNA) where: Base-Base interactions energy: -421.514 where: short stacking energy: -251.609 Base-Backbone interact. energy: 3.581 local terms energy: -464.351955 where: bonds (distance) C4'-P energy: -146.597 bonds (distance) P-C4' energy: -149.777 flat angles C4'-P-C4' energy: -122.346 flat angles P-C4'-P energy: -63.109 tors. eta vs tors. theta energy: 17.476 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: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3006.143003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.143003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.143003 (E_RNA) where: Base-Base interactions energy: -2024.242 where: short stacking energy: -917.931 Base-Backbone interact. energy: -3.621 local terms energy: -978.280002 where: bonds (distance) C4'-P energy: -178.743 bonds (distance) P-C4' energy: -201.879 flat angles C4'-P-C4' energy: -201.749 flat angles P-C4'-P energy: -135.085 tors. eta vs tors. theta energy: -260.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2919.440211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.440211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.440211 (E_RNA) where: Base-Base interactions energy: -1986.868 where: short stacking energy: -891.476 Base-Backbone interact. energy: 5.212 local terms energy: -937.784164 where: bonds (distance) C4'-P energy: -183.126 bonds (distance) P-C4' energy: -183.884 flat angles C4'-P-C4' energy: -192.810 flat angles P-C4'-P energy: -124.961 tors. eta vs tors. theta energy: -253.003 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: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2740.834177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.834177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.834177 (E_RNA) where: Base-Base interactions energy: -1824.280 where: short stacking energy: -853.214 Base-Backbone interact. energy: -2.714 local terms energy: -913.840246 where: bonds (distance) C4'-P energy: -175.225 bonds (distance) P-C4' energy: -176.730 flat angles C4'-P-C4' energy: -193.065 flat angles P-C4'-P energy: -117.590 tors. eta vs tors. theta energy: -251.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2606.017082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.017082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.017082 (E_RNA) where: Base-Base interactions energy: -1766.783 where: short stacking energy: -777.073 Base-Backbone interact. energy: -1.970 local terms energy: -837.264081 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -184.076 flat angles C4'-P-C4' energy: -191.081 flat angles P-C4'-P energy: -113.575 tors. eta vs tors. theta energy: -201.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2436.757545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.757545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.757545 (E_RNA) where: Base-Base interactions energy: -1625.943 where: short stacking energy: -728.025 Base-Backbone interact. energy: -3.408 local terms energy: -807.406149 where: bonds (distance) C4'-P energy: -153.403 bonds (distance) P-C4' energy: -171.454 flat angles C4'-P-C4' energy: -184.168 flat angles P-C4'-P energy: -103.923 tors. eta vs tors. theta energy: -194.458 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2194.738801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.738801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.738801 (E_RNA) where: Base-Base interactions energy: -1472.244 where: short stacking energy: -655.166 Base-Backbone interact. energy: -3.040 local terms energy: -719.454971 where: bonds (distance) C4'-P energy: -167.855 bonds (distance) P-C4' energy: -154.364 flat angles C4'-P-C4' energy: -153.525 flat angles P-C4'-P energy: -99.061 tors. eta vs tors. theta energy: -144.650 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: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1661.714777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.714777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.714777 (E_RNA) where: Base-Base interactions energy: -1017.914 where: short stacking energy: -501.185 Base-Backbone interact. energy: 6.977 local terms energy: -650.777363 where: bonds (distance) C4'-P energy: -144.977 bonds (distance) P-C4' energy: -153.324 flat angles C4'-P-C4' energy: -160.068 flat angles P-C4'-P energy: -97.804 tors. eta vs tors. theta energy: -94.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1335.632331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.632331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.632331 (E_RNA) where: Base-Base interactions energy: -771.313 where: short stacking energy: -403.646 Base-Backbone interact. energy: 8.638 local terms energy: -572.957736 where: bonds (distance) C4'-P energy: -146.379 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -132.118 flat angles P-C4'-P energy: -83.732 tors. eta vs tors. theta energy: -66.810 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: 176 Temperature: 1.300000 Total energy: -1134.222329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.222329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.222329 (E_RNA) where: Base-Base interactions energy: -630.446 where: short stacking energy: -333.618 Base-Backbone interact. energy: 1.242 local terms energy: -505.018132 where: bonds (distance) C4'-P energy: -137.527 bonds (distance) P-C4' energy: -160.534 flat angles C4'-P-C4' energy: -129.972 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -937.074298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.074298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.074298 (E_RNA) where: Base-Base interactions energy: -438.411 where: short stacking energy: -272.313 Base-Backbone interact. energy: -2.318 local terms energy: -496.345246 where: bonds (distance) C4'-P energy: -131.137 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: 20.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2990.188739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.188739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.188739 (E_RNA) where: Base-Base interactions energy: -2022.448 where: short stacking energy: -896.886 Base-Backbone interact. energy: -4.069 local terms energy: -963.672173 where: bonds (distance) C4'-P energy: -177.561 bonds (distance) P-C4' energy: -174.629 flat angles C4'-P-C4' energy: -207.127 flat angles P-C4'-P energy: -157.260 tors. eta vs tors. theta energy: -247.096 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: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2878.753568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.753568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.753568 (E_RNA) where: Base-Base interactions energy: -1966.525 where: short stacking energy: -839.142 Base-Backbone interact. energy: -1.513 local terms energy: -910.715561 where: bonds (distance) C4'-P energy: -169.074 bonds (distance) P-C4' energy: -189.989 flat angles C4'-P-C4' energy: -192.033 flat angles P-C4'-P energy: -135.774 tors. eta vs tors. theta energy: -223.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2764.729484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.729484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.729484 (E_RNA) where: Base-Base interactions energy: -1861.105 where: short stacking energy: -854.665 Base-Backbone interact. energy: -2.661 local terms energy: -900.963432 where: bonds (distance) C4'-P energy: -160.342 bonds (distance) P-C4' energy: -180.903 flat angles C4'-P-C4' energy: -198.177 flat angles P-C4'-P energy: -129.251 tors. eta vs tors. theta energy: -232.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2631.925143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.925143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.925143 (E_RNA) where: Base-Base interactions energy: -1791.266 where: short stacking energy: -761.411 Base-Backbone interact. energy: -2.403 local terms energy: -838.256307 where: bonds (distance) C4'-P energy: -169.744 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -181.123 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -211.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2431.376167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.376167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.376167 (E_RNA) where: Base-Base interactions energy: -1634.858 where: short stacking energy: -731.071 Base-Backbone interact. energy: 0.009 local terms energy: -796.526997 where: bonds (distance) C4'-P energy: -156.580 bonds (distance) P-C4' energy: -163.161 flat angles C4'-P-C4' energy: -174.130 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -208.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2096.772933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.772933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.772933 (E_RNA) where: Base-Base interactions energy: -1374.211 where: short stacking energy: -613.596 Base-Backbone interact. energy: -5.355 local terms energy: -717.206801 where: bonds (distance) C4'-P energy: -166.100 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -180.015 flat angles P-C4'-P energy: -103.925 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: 177 Temperature: 1.200000 Total energy: -1717.588093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.588093 (E_RNA) where: Base-Base interactions energy: -1070.128 where: short stacking energy: -507.546 Base-Backbone interact. energy: 4.626 local terms energy: -652.085149 where: bonds (distance) C4'-P energy: -158.749 bonds (distance) P-C4' energy: -130.532 flat angles C4'-P-C4' energy: -170.085 flat angles P-C4'-P energy: -78.675 tors. eta vs tors. theta energy: -114.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1359.559157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.559157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.559157 (E_RNA) where: Base-Base interactions energy: -800.599 where: short stacking energy: -405.636 Base-Backbone interact. energy: 1.939 local terms energy: -560.899104 where: bonds (distance) C4'-P energy: -147.430 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -134.946 flat angles P-C4'-P energy: -88.920 tors. eta vs tors. theta energy: -57.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1232.375437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.375437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.375437 (E_RNA) where: Base-Base interactions energy: -720.657 where: short stacking energy: -386.917 Base-Backbone interact. energy: 10.823 local terms energy: -522.541133 where: bonds (distance) C4'-P energy: -139.446 bonds (distance) P-C4' energy: -134.015 flat angles C4'-P-C4' energy: -129.541 flat angles P-C4'-P energy: -81.574 tors. eta vs tors. theta energy: -37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -886.733899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.733899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.733899 (E_RNA) where: Base-Base interactions energy: -415.129 where: short stacking energy: -256.995 Base-Backbone interact. energy: 3.001 local terms energy: -474.606596 where: bonds (distance) C4'-P energy: -130.928 bonds (distance) P-C4' energy: -155.340 flat angles C4'-P-C4' energy: -111.822 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2999.477358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.477358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.477358 (E_RNA) where: Base-Base interactions energy: -2033.106 where: short stacking energy: -938.928 Base-Backbone interact. energy: -4.058 local terms energy: -962.313268 where: bonds (distance) C4'-P energy: -181.232 bonds (distance) P-C4' energy: -183.232 flat angles C4'-P-C4' energy: -201.497 flat angles P-C4'-P energy: -130.808 tors. eta vs tors. theta energy: -265.544 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: 178 Temperature: 0.950000 Total energy: -2876.767544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.767544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.767544 (E_RNA) where: Base-Base interactions energy: -1969.130 where: short stacking energy: -858.365 Base-Backbone interact. energy: -6.749 local terms energy: -900.888443 where: bonds (distance) C4'-P energy: -160.422 bonds (distance) P-C4' energy: -172.023 flat angles C4'-P-C4' energy: -192.521 flat angles P-C4'-P energy: -132.241 tors. eta vs tors. theta energy: -243.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2738.192376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.192376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.192376 (E_RNA) where: Base-Base interactions energy: -1864.928 where: short stacking energy: -776.820 Base-Backbone interact. energy: -1.148 local terms energy: -872.116798 where: bonds (distance) C4'-P energy: -166.608 bonds (distance) P-C4' energy: -167.312 flat angles C4'-P-C4' energy: -195.189 flat angles P-C4'-P energy: -128.765 tors. eta vs tors. theta energy: -214.243 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: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2639.547889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.547889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.547889 (E_RNA) where: Base-Base interactions energy: -1759.616 where: short stacking energy: -809.104 Base-Backbone interact. energy: -0.273 local terms energy: -879.658993 where: bonds (distance) C4'-P energy: -160.223 bonds (distance) P-C4' energy: -170.961 flat angles C4'-P-C4' energy: -197.572 flat angles P-C4'-P energy: -112.032 tors. eta vs tors. theta energy: -238.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2463.724674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.724674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.724674 (E_RNA) where: Base-Base interactions energy: -1673.429 where: short stacking energy: -734.281 Base-Backbone interact. energy: -0.371 local terms energy: -789.924334 where: bonds (distance) C4'-P energy: -166.691 bonds (distance) P-C4' energy: -156.968 flat angles C4'-P-C4' energy: -167.962 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -204.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2150.295591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.295591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.295591 (E_RNA) where: Base-Base interactions energy: -1425.966 where: short stacking energy: -652.578 Base-Backbone interact. energy: 7.339 local terms energy: -731.668865 where: bonds (distance) C4'-P energy: -146.137 bonds (distance) P-C4' energy: -159.074 flat angles C4'-P-C4' energy: -186.169 flat angles P-C4'-P energy: -90.482 tors. eta vs tors. theta energy: -149.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1683.957812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.957812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.957812 (E_RNA) where: Base-Base interactions energy: -1050.377 where: short stacking energy: -513.963 Base-Backbone interact. energy: -4.084 local terms energy: -629.496925 where: bonds (distance) C4'-P energy: -140.957 bonds (distance) P-C4' energy: -167.612 flat angles C4'-P-C4' energy: -145.034 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -92.807 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: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1315.089115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.089115 (E_RNA) where: Base-Base interactions energy: -757.110 where: short stacking energy: -399.567 Base-Backbone interact. energy: 1.611 local terms energy: -559.589600 where: bonds (distance) C4'-P energy: -140.886 bonds (distance) P-C4' energy: -141.913 flat angles C4'-P-C4' energy: -154.233 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -41.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1311.316700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.316700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.316700 (E_RNA) where: Base-Base interactions energy: -740.392 where: short stacking energy: -397.944 Base-Backbone interact. energy: 0.806 local terms energy: -571.730237 where: bonds (distance) C4'-P energy: -134.949 bonds (distance) P-C4' energy: -160.875 flat angles C4'-P-C4' energy: -143.046 flat angles P-C4'-P energy: -72.541 tors. eta vs tors. theta energy: -60.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -831.182745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.182745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.182745 (E_RNA) where: Base-Base interactions energy: -388.031 where: short stacking energy: -245.723 Base-Backbone interact. energy: 2.801 local terms energy: -445.952102 where: bonds (distance) C4'-P energy: -143.800 bonds (distance) P-C4' energy: -137.315 flat angles C4'-P-C4' energy: -130.922 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: 33.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3001.290911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.290911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.290911 (E_RNA) where: Base-Base interactions energy: -2024.293 where: short stacking energy: -913.011 Base-Backbone interact. energy: -1.946 local terms energy: -975.051828 where: bonds (distance) C4'-P energy: -195.635 bonds (distance) P-C4' energy: -179.810 flat angles C4'-P-C4' energy: -212.540 flat angles P-C4'-P energy: -120.260 tors. eta vs tors. theta energy: -266.807 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: 179 Temperature: 0.950000 Total energy: -2930.480072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.480072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.480072 (E_RNA) where: Base-Base interactions energy: -1999.816 where: short stacking energy: -891.843 Base-Backbone interact. energy: -4.962 local terms energy: -925.701858 where: bonds (distance) C4'-P energy: -161.445 bonds (distance) P-C4' energy: -176.500 flat angles C4'-P-C4' energy: -202.174 flat angles P-C4'-P energy: -134.934 tors. eta vs tors. theta energy: -250.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2685.935445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.935445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.935445 (E_RNA) where: Base-Base interactions energy: -1861.447 where: short stacking energy: -770.843 Base-Backbone interact. energy: -3.371 local terms energy: -821.117767 where: bonds (distance) C4'-P energy: -150.790 bonds (distance) P-C4' energy: -155.642 flat angles C4'-P-C4' energy: -192.686 flat angles P-C4'-P energy: -125.250 tors. eta vs tors. theta energy: -196.751 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: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2691.223119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.223119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.223119 (E_RNA) where: Base-Base interactions energy: -1767.215 where: short stacking energy: -795.941 Base-Backbone interact. energy: -1.897 local terms energy: -922.110835 where: bonds (distance) C4'-P energy: -175.103 bonds (distance) P-C4' energy: -182.394 flat angles C4'-P-C4' energy: -193.110 flat angles P-C4'-P energy: -139.191 tors. eta vs tors. theta energy: -232.313 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: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2548.084788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.084788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.084788 (E_RNA) where: Base-Base interactions energy: -1703.734 where: short stacking energy: -748.951 Base-Backbone interact. energy: -2.991 local terms energy: -841.360346 where: bonds (distance) C4'-P energy: -181.977 bonds (distance) P-C4' energy: -166.413 flat angles C4'-P-C4' energy: -172.534 flat angles P-C4'-P energy: -109.355 tors. eta vs tors. theta energy: -211.081 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2158.446149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.446149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.446149 (E_RNA) where: Base-Base interactions energy: -1427.624 where: short stacking energy: -642.370 Base-Backbone interact. energy: 2.594 local terms energy: -733.416994 where: bonds (distance) C4'-P energy: -120.000 bonds (distance) P-C4' energy: -176.884 flat angles C4'-P-C4' energy: -184.647 flat angles P-C4'-P energy: -99.352 tors. eta vs tors. theta energy: -152.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1717.322008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.322008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.322008 (E_RNA) where: Base-Base interactions energy: -1033.272 where: short stacking energy: -479.182 Base-Backbone interact. energy: -5.035 local terms energy: -679.015610 where: bonds (distance) C4'-P energy: -151.963 bonds (distance) P-C4' energy: -164.735 flat angles C4'-P-C4' energy: -148.785 flat angles P-C4'-P energy: -112.265 tors. eta vs tors. theta energy: -101.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1449.953578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.953578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.953578 (E_RNA) where: Base-Base interactions energy: -869.606 where: short stacking energy: -408.210 Base-Backbone interact. energy: -0.527 local terms energy: -579.821160 where: bonds (distance) C4'-P energy: -130.463 bonds (distance) P-C4' energy: -164.997 flat angles C4'-P-C4' energy: -142.971 flat angles P-C4'-P energy: -77.968 tors. eta vs tors. theta energy: -63.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1179.730262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.730262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.730262 (E_RNA) where: Base-Base interactions energy: -674.120 where: short stacking energy: -373.520 Base-Backbone interact. energy: -0.594 local terms energy: -505.016602 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -126.057 flat angles C4'-P-C4' energy: -112.798 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -38.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -921.845862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.845862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.845862 (E_RNA) where: Base-Base interactions energy: -454.102 where: short stacking energy: -250.185 Base-Backbone interact. energy: 0.806 local terms energy: -468.550018 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -161.664 flat angles C4'-P-C4' energy: -110.714 flat angles P-C4'-P energy: -69.833 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: 180 Temperature: 0.900000 Total energy: -3002.861715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.861715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.861715 (E_RNA) where: Base-Base interactions energy: -2009.614 where: short stacking energy: -937.460 Base-Backbone interact. energy: -1.610 local terms energy: -991.637360 where: bonds (distance) C4'-P energy: -182.247 bonds (distance) P-C4' energy: -190.137 flat angles C4'-P-C4' energy: -202.356 flat angles P-C4'-P energy: -143.847 tors. eta vs tors. theta energy: -273.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2922.926423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.926423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.926423 (E_RNA) where: Base-Base interactions energy: -1997.746 where: short stacking energy: -884.719 Base-Backbone interact. energy: -3.672 local terms energy: -921.508615 where: bonds (distance) C4'-P energy: -178.147 bonds (distance) P-C4' energy: -159.140 flat angles C4'-P-C4' energy: -192.363 flat angles P-C4'-P energy: -135.096 tors. eta vs tors. theta energy: -256.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2695.996757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.996757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.996757 (E_RNA) where: Base-Base interactions energy: -1854.129 where: short stacking energy: -787.134 Base-Backbone interact. energy: -4.408 local terms energy: -837.459593 where: bonds (distance) C4'-P energy: -151.884 bonds (distance) P-C4' energy: -166.834 flat angles C4'-P-C4' energy: -191.366 flat angles P-C4'-P energy: -121.579 tors. eta vs tors. theta energy: -205.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2659.934487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.934487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.934487 (E_RNA) where: Base-Base interactions energy: -1787.532 where: short stacking energy: -827.085 Base-Backbone interact. energy: -4.135 local terms energy: -868.267367 where: bonds (distance) C4'-P energy: -167.316 bonds (distance) P-C4' energy: -167.316 flat angles C4'-P-C4' energy: -184.307 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -237.586 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: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2537.892476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.892476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.892476 (E_RNA) where: Base-Base interactions energy: -1737.388 where: short stacking energy: -774.618 Base-Backbone interact. energy: -1.170 local terms energy: -799.334569 where: bonds (distance) C4'-P energy: -149.333 bonds (distance) P-C4' energy: -161.696 flat angles C4'-P-C4' energy: -183.713 flat angles P-C4'-P energy: -103.996 tors. eta vs tors. theta energy: -200.596 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: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2203.981138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.981138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.981138 (E_RNA) where: Base-Base interactions energy: -1482.121 where: short stacking energy: -659.753 Base-Backbone interact. energy: -2.555 local terms energy: -719.305792 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -135.065 flat angles C4'-P-C4' energy: -171.189 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -170.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1717.991317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.991317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.991317 (E_RNA) where: Base-Base interactions energy: -1078.766 where: short stacking energy: -487.394 Base-Backbone interact. energy: -2.010 local terms energy: -637.215292 where: bonds (distance) C4'-P energy: -153.156 bonds (distance) P-C4' energy: -139.028 flat angles C4'-P-C4' energy: -158.275 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: -100.612 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: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1436.052367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.052367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.052367 (E_RNA) where: Base-Base interactions energy: -831.686 where: short stacking energy: -398.508 Base-Backbone interact. energy: -0.853 local terms energy: -603.513431 where: bonds (distance) C4'-P energy: -166.704 bonds (distance) P-C4' energy: -156.556 flat angles C4'-P-C4' energy: -120.453 flat angles P-C4'-P energy: -96.989 tors. eta vs tors. theta energy: -62.812 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: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1189.095829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.095829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.095829 (E_RNA) where: Base-Base interactions energy: -682.864 where: short stacking energy: -347.168 Base-Backbone interact. energy: 1.371 local terms energy: -507.602718 where: bonds (distance) C4'-P energy: -143.168 bonds (distance) P-C4' energy: -144.282 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -12.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -921.068970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.068970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.068970 (E_RNA) where: Base-Base interactions energy: -442.848 where: short stacking energy: -266.768 Base-Backbone interact. energy: 2.814 local terms energy: -481.034383 where: bonds (distance) C4'-P energy: -151.028 bonds (distance) P-C4' energy: -140.350 flat angles C4'-P-C4' energy: -116.954 flat angles P-C4'-P energy: -70.623 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3064.925124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.925124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.925124 (E_RNA) where: Base-Base interactions energy: -2100.077 where: short stacking energy: -949.687 Base-Backbone interact. energy: -1.818 local terms energy: -963.029634 where: bonds (distance) C4'-P energy: -174.798 bonds (distance) P-C4' energy: -183.832 flat angles C4'-P-C4' energy: -202.857 flat angles P-C4'-P energy: -134.070 tors. eta vs tors. theta energy: -267.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2937.832962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.832962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.832962 (E_RNA) where: Base-Base interactions energy: -2006.160 where: short stacking energy: -890.630 Base-Backbone interact. energy: -7.248 local terms energy: -924.424925 where: bonds (distance) C4'-P energy: -159.201 bonds (distance) P-C4' energy: -183.033 flat angles C4'-P-C4' energy: -189.051 flat angles P-C4'-P energy: -129.463 tors. eta vs tors. theta energy: -263.677 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2710.493469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.493469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.493469 (E_RNA) where: Base-Base interactions energy: -1838.721 where: short stacking energy: -794.097 Base-Backbone interact. energy: -1.271 local terms energy: -870.501352 where: bonds (distance) C4'-P energy: -166.290 bonds (distance) P-C4' energy: -178.792 flat angles C4'-P-C4' energy: -188.566 flat angles P-C4'-P energy: -134.809 tors. eta vs tors. theta energy: -202.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2656.568073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.568073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.568073 (E_RNA) where: Base-Base interactions energy: -1791.345 where: short stacking energy: -846.067 Base-Backbone interact. energy: -0.283 local terms energy: -864.939832 where: bonds (distance) C4'-P energy: -159.929 bonds (distance) P-C4' energy: -172.654 flat angles C4'-P-C4' energy: -179.831 flat angles P-C4'-P energy: -124.679 tors. eta vs tors. theta energy: -227.847 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: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2481.384259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.384259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.384259 (E_RNA) where: Base-Base interactions energy: -1676.766 where: short stacking energy: -742.831 Base-Backbone interact. energy: -2.095 local terms energy: -802.522481 where: bonds (distance) C4'-P energy: -142.505 bonds (distance) P-C4' energy: -168.348 flat angles C4'-P-C4' energy: -173.421 flat angles P-C4'-P energy: -113.507 tors. eta vs tors. theta energy: -204.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2135.646179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.646179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.646179 (E_RNA) where: Base-Base interactions energy: -1419.723 where: short stacking energy: -654.574 Base-Backbone interact. energy: 3.297 local terms energy: -719.220282 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -168.397 flat angles C4'-P-C4' energy: -163.837 flat angles P-C4'-P energy: -107.733 tors. eta vs tors. theta energy: -155.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1724.010801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.010801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.010801 (E_RNA) where: Base-Base interactions energy: -1069.860 where: short stacking energy: -484.632 Base-Backbone interact. energy: -2.076 local terms energy: -652.075648 where: bonds (distance) C4'-P energy: -138.901 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -98.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1393.331221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.331221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.331221 (E_RNA) where: Base-Base interactions energy: -816.506 where: short stacking energy: -401.426 Base-Backbone interact. energy: -0.303 local terms energy: -576.521771 where: bonds (distance) C4'-P energy: -141.721 bonds (distance) P-C4' energy: -159.656 flat angles C4'-P-C4' energy: -140.259 flat angles P-C4'-P energy: -77.507 tors. eta vs tors. theta energy: -57.378 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: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1189.779012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.779012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.779012 (E_RNA) where: Base-Base interactions energy: -658.425 where: short stacking energy: -352.678 Base-Backbone interact. energy: 0.092 local terms energy: -531.445864 where: bonds (distance) C4'-P energy: -133.119 bonds (distance) P-C4' energy: -142.565 flat angles C4'-P-C4' energy: -138.812 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -25.064 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: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -933.266524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.266524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.266524 (E_RNA) where: Base-Base interactions energy: -475.625 where: short stacking energy: -255.487 Base-Backbone interact. energy: 3.390 local terms energy: -461.031694 where: bonds (distance) C4'-P energy: -146.933 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -131.533 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: 19.241 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: 182 Temperature: 0.900000 Total energy: -3022.314341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.314341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.314341 (E_RNA) where: Base-Base interactions energy: -2030.198 where: short stacking energy: -918.797 Base-Backbone interact. energy: -2.783 local terms energy: -989.334167 where: bonds (distance) C4'-P energy: -193.054 bonds (distance) P-C4' energy: -191.683 flat angles C4'-P-C4' energy: -207.972 flat angles P-C4'-P energy: -121.833 tors. eta vs tors. theta energy: -274.792 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: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2950.545499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.545499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.545499 (E_RNA) where: Base-Base interactions energy: -2053.035 where: short stacking energy: -891.345 Base-Backbone interact. energy: -2.488 local terms energy: -895.022062 where: bonds (distance) C4'-P energy: -169.872 bonds (distance) P-C4' energy: -159.010 flat angles C4'-P-C4' energy: -188.722 flat angles P-C4'-P energy: -122.246 tors. eta vs tors. theta energy: -255.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2774.777665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.777665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.777665 (E_RNA) where: Base-Base interactions energy: -1860.354 where: short stacking energy: -849.923 Base-Backbone interact. energy: -0.995 local terms energy: -913.428634 where: bonds (distance) C4'-P energy: -158.498 bonds (distance) P-C4' energy: -175.668 flat angles C4'-P-C4' energy: -205.076 flat angles P-C4'-P energy: -135.178 tors. eta vs tors. theta energy: -239.009 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: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2595.338801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.338801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.338801 (E_RNA) where: Base-Base interactions energy: -1811.235 where: short stacking energy: -758.068 Base-Backbone interact. energy: -1.478 local terms energy: -782.625188 where: bonds (distance) C4'-P energy: -142.054 bonds (distance) P-C4' energy: -165.449 flat angles C4'-P-C4' energy: -196.703 flat angles P-C4'-P energy: -99.694 tors. eta vs tors. theta energy: -178.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2460.503421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.503421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.503421 (E_RNA) where: Base-Base interactions energy: -1669.592 where: short stacking energy: -738.620 Base-Backbone interact. energy: 3.744 local terms energy: -794.654736 where: bonds (distance) C4'-P energy: -162.971 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -173.844 flat angles P-C4'-P energy: -111.355 tors. eta vs tors. theta energy: -197.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2105.913598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.913598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.913598 (E_RNA) where: Base-Base interactions energy: -1386.925 where: short stacking energy: -603.724 Base-Backbone interact. energy: 2.472 local terms energy: -721.460178 where: bonds (distance) C4'-P energy: -167.718 bonds (distance) P-C4' energy: -149.847 flat angles C4'-P-C4' energy: -168.207 flat angles P-C4'-P energy: -107.970 tors. eta vs tors. theta energy: -127.718 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: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1768.257830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.257830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.257830 (E_RNA) where: Base-Base interactions energy: -1119.229 where: short stacking energy: -516.031 Base-Backbone interact. energy: -0.326 local terms energy: -648.702521 where: bonds (distance) C4'-P energy: -133.381 bonds (distance) P-C4' energy: -141.980 flat angles C4'-P-C4' energy: -172.525 flat angles P-C4'-P energy: -104.290 tors. eta vs tors. theta energy: -96.526 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: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1402.664745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.664745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.664745 (E_RNA) where: Base-Base interactions energy: -862.371 where: short stacking energy: -429.598 Base-Backbone interact. energy: -1.395 local terms energy: -538.898137 where: bonds (distance) C4'-P energy: -133.121 bonds (distance) P-C4' energy: -132.616 flat angles C4'-P-C4' energy: -156.974 flat angles P-C4'-P energy: -70.904 tors. eta vs tors. theta energy: -45.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1210.014915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.014915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.014915 (E_RNA) where: Base-Base interactions energy: -643.559 where: short stacking energy: -310.274 Base-Backbone interact. energy: 1.334 local terms energy: -567.789381 where: bonds (distance) C4'-P energy: -131.607 bonds (distance) P-C4' energy: -153.803 flat angles C4'-P-C4' energy: -153.563 flat angles P-C4'-P energy: -96.702 tors. eta vs tors. theta energy: -32.114 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -883.744140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.744140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.744140 (E_RNA) where: Base-Base interactions energy: -441.999 where: short stacking energy: -231.495 Base-Backbone interact. energy: 7.570 local terms energy: -449.315580 where: bonds (distance) C4'-P energy: -142.227 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -103.672 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: 12.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3006.816113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.816113 (E_RNA) where: Base-Base interactions energy: -2020.012 where: short stacking energy: -933.580 Base-Backbone interact. energy: -1.694 local terms energy: -985.110554 where: bonds (distance) C4'-P energy: -178.710 bonds (distance) P-C4' energy: -180.231 flat angles C4'-P-C4' energy: -208.066 flat angles P-C4'-P energy: -140.339 tors. eta vs tors. theta energy: -277.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2938.134196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.134196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.134196 (E_RNA) where: Base-Base interactions energy: -2007.869 where: short stacking energy: -878.823 Base-Backbone interact. energy: -1.010 local terms energy: -929.255117 where: bonds (distance) C4'-P energy: -182.045 bonds (distance) P-C4' energy: -173.937 flat angles C4'-P-C4' energy: -191.401 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -252.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2733.813772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.813772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.813772 (E_RNA) where: Base-Base interactions energy: -1840.961 where: short stacking energy: -841.232 Base-Backbone interact. energy: -3.680 local terms energy: -889.173116 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -187.411 flat angles C4'-P-C4' energy: -194.559 flat angles P-C4'-P energy: -127.588 tors. eta vs tors. theta energy: -225.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2623.418111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.418111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.418111 (E_RNA) where: Base-Base interactions energy: -1805.883 where: short stacking energy: -749.942 Base-Backbone interact. energy: -1.033 local terms energy: -816.501747 where: bonds (distance) C4'-P energy: -164.427 bonds (distance) P-C4' energy: -165.151 flat angles C4'-P-C4' energy: -190.072 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -198.309 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: 183 Temperature: 1.100000 Total energy: -2454.214275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.214275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.214275 (E_RNA) where: Base-Base interactions energy: -1666.713 where: short stacking energy: -708.199 Base-Backbone interact. energy: -1.832 local terms energy: -785.669066 where: bonds (distance) C4'-P energy: -158.354 bonds (distance) P-C4' energy: -162.332 flat angles C4'-P-C4' energy: -177.566 flat angles P-C4'-P energy: -109.222 tors. eta vs tors. theta energy: -178.194 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: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2135.587963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.587963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.587963 (E_RNA) where: Base-Base interactions energy: -1416.989 where: short stacking energy: -602.855 Base-Backbone interact. energy: -0.957 local terms energy: -717.641653 where: bonds (distance) C4'-P energy: -166.505 bonds (distance) P-C4' energy: -141.813 flat angles C4'-P-C4' energy: -151.145 flat angles P-C4'-P energy: -104.341 tors. eta vs tors. theta energy: -153.838 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: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1664.327291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.327291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.327291 (E_RNA) where: Base-Base interactions energy: -1023.391 where: short stacking energy: -484.316 Base-Backbone interact. energy: -2.631 local terms energy: -638.305431 where: bonds (distance) C4'-P energy: -161.985 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -161.519 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: -86.187 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: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1416.674948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.674948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.674948 (E_RNA) where: Base-Base interactions energy: -814.712 where: short stacking energy: -400.174 Base-Backbone interact. energy: 4.572 local terms energy: -606.535449 where: bonds (distance) C4'-P energy: -152.483 bonds (distance) P-C4' energy: -158.762 flat angles C4'-P-C4' energy: -139.950 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -66.912 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: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1265.455237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.455237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.455237 (E_RNA) where: Base-Base interactions energy: -689.354 where: short stacking energy: -383.257 Base-Backbone interact. energy: 0.974 local terms energy: -577.075009 where: bonds (distance) C4'-P energy: -145.182 bonds (distance) P-C4' energy: -136.393 flat angles C4'-P-C4' energy: -156.339 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -44.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -914.401872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.401872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.401872 (E_RNA) where: Base-Base interactions energy: -466.141 where: short stacking energy: -257.045 Base-Backbone interact. energy: -1.727 local terms energy: -446.533733 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -159.274 flat angles C4'-P-C4' energy: -103.173 flat angles P-C4'-P energy: -80.224 tors. eta vs tors. theta energy: 15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3027.177479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.177479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.177479 (E_RNA) where: Base-Base interactions energy: -2062.616 where: short stacking energy: -930.857 Base-Backbone interact. energy: -0.553 local terms energy: -964.008496 where: bonds (distance) C4'-P energy: -178.716 bonds (distance) P-C4' energy: -182.642 flat angles C4'-P-C4' energy: -202.986 flat angles P-C4'-P energy: -140.451 tors. eta vs tors. theta energy: -259.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2971.112710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.112710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.112710 (E_RNA) where: Base-Base interactions energy: -2045.603 where: short stacking energy: -889.153 Base-Backbone interact. energy: -2.324 local terms energy: -923.185633 where: bonds (distance) C4'-P energy: -161.682 bonds (distance) P-C4' energy: -185.879 flat angles C4'-P-C4' energy: -204.531 flat angles P-C4'-P energy: -124.592 tors. eta vs tors. theta energy: -246.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2762.906744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.906744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.906744 (E_RNA) where: Base-Base interactions energy: -1881.609 where: short stacking energy: -847.594 Base-Backbone interact. energy: -0.225 local terms energy: -881.073005 where: bonds (distance) C4'-P energy: -158.007 bonds (distance) P-C4' energy: -176.367 flat angles C4'-P-C4' energy: -184.713 flat angles P-C4'-P energy: -131.412 tors. eta vs tors. theta energy: -230.574 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: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2622.287093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.287093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.287093 (E_RNA) where: Base-Base interactions energy: -1799.659 where: short stacking energy: -759.017 Base-Backbone interact. energy: -4.041 local terms energy: -818.587158 where: bonds (distance) C4'-P energy: -169.248 bonds (distance) P-C4' energy: -163.618 flat angles C4'-P-C4' energy: -184.347 flat angles P-C4'-P energy: -113.812 tors. eta vs tors. theta energy: -187.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2437.779191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.779191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.779191 (E_RNA) where: Base-Base interactions energy: -1648.007 where: short stacking energy: -762.646 Base-Backbone interact. energy: -3.376 local terms energy: -786.396134 where: bonds (distance) C4'-P energy: -147.105 bonds (distance) P-C4' energy: -166.777 flat angles C4'-P-C4' energy: -157.106 flat angles P-C4'-P energy: -107.697 tors. eta vs tors. theta energy: -207.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2036.419401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.419401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.419401 (E_RNA) where: Base-Base interactions energy: -1320.882 where: short stacking energy: -625.210 Base-Backbone interact. energy: -1.346 local terms energy: -714.191667 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -166.292 flat angles C4'-P-C4' energy: -159.492 flat angles P-C4'-P energy: -98.702 tors. eta vs tors. theta energy: -150.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1675.808836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.808836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.808836 (E_RNA) where: Base-Base interactions energy: -1006.618 where: short stacking energy: -487.551 Base-Backbone interact. energy: -0.596 local terms energy: -668.594834 where: bonds (distance) C4'-P energy: -159.310 bonds (distance) P-C4' energy: -147.084 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -97.941 tors. eta vs tors. theta energy: -118.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1412.013006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.013006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.013006 (E_RNA) where: Base-Base interactions energy: -828.971 where: short stacking energy: -427.581 Base-Backbone interact. energy: 3.350 local terms energy: -586.391830 where: bonds (distance) C4'-P energy: -138.429 bonds (distance) P-C4' energy: -152.760 flat angles C4'-P-C4' energy: -146.039 flat angles P-C4'-P energy: -92.926 tors. eta vs tors. theta energy: -56.238 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: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1263.979536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.979536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.979536 (E_RNA) where: Base-Base interactions energy: -697.233 where: short stacking energy: -340.354 Base-Backbone interact. energy: -1.652 local terms energy: -565.094568 where: bonds (distance) C4'-P energy: -126.778 bonds (distance) P-C4' energy: -164.454 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -45.291 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: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -989.754134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.754134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.754134 (E_RNA) where: Base-Base interactions energy: -525.835 where: short stacking energy: -289.114 Base-Backbone interact. energy: 5.981 local terms energy: -469.900219 where: bonds (distance) C4'-P energy: -144.120 bonds (distance) P-C4' energy: -158.878 flat angles C4'-P-C4' energy: -89.273 flat angles P-C4'-P energy: -80.979 tors. eta vs tors. theta energy: 3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3039.878961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.878961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.878961 (E_RNA) where: Base-Base interactions energy: -2047.984 where: short stacking energy: -957.999 Base-Backbone interact. energy: -1.648 local terms energy: -990.246775 where: bonds (distance) C4'-P energy: -169.631 bonds (distance) P-C4' energy: -182.484 flat angles C4'-P-C4' energy: -211.558 flat angles P-C4'-P energy: -143.890 tors. eta vs tors. theta energy: -282.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2995.909933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.909933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.909933 (E_RNA) where: Base-Base interactions energy: -2032.809 where: short stacking energy: -871.692 Base-Backbone interact. energy: -0.695 local terms energy: -962.406188 where: bonds (distance) C4'-P energy: -183.134 bonds (distance) P-C4' energy: -179.851 flat angles C4'-P-C4' energy: -206.971 flat angles P-C4'-P energy: -143.511 tors. eta vs tors. theta energy: -248.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2731.219701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.219701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.219701 (E_RNA) where: Base-Base interactions energy: -1867.132 where: short stacking energy: -808.251 Base-Backbone interact. energy: -4.959 local terms energy: -859.129622 where: bonds (distance) C4'-P energy: -171.877 bonds (distance) P-C4' energy: -167.366 flat angles C4'-P-C4' energy: -186.589 flat angles P-C4'-P energy: -120.070 tors. eta vs tors. theta energy: -213.228 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: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2593.611589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.611589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.611589 (E_RNA) where: Base-Base interactions energy: -1776.515 where: short stacking energy: -770.020 Base-Backbone interact. energy: 0.191 local terms energy: -817.287435 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -187.311 flat angles P-C4'-P energy: -121.217 tors. eta vs tors. theta energy: -199.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2461.380740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.380740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.380740 (E_RNA) where: Base-Base interactions energy: -1663.230 where: short stacking energy: -744.763 Base-Backbone interact. energy: -1.278 local terms energy: -796.873144 where: bonds (distance) C4'-P energy: -149.955 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -181.832 flat angles P-C4'-P energy: -113.347 tors. eta vs tors. theta energy: -198.823 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: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2091.954355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.954355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.954355 (E_RNA) where: Base-Base interactions energy: -1357.077 where: short stacking energy: -596.435 Base-Backbone interact. energy: -1.678 local terms energy: -733.199791 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -170.452 flat angles C4'-P-C4' energy: -172.987 flat angles P-C4'-P energy: -102.463 tors. eta vs tors. theta energy: -134.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1722.620786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.620786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.620786 (E_RNA) where: Base-Base interactions energy: -1092.846 where: short stacking energy: -524.724 Base-Backbone interact. energy: 0.002 local terms energy: -629.777453 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -155.710 flat angles C4'-P-C4' energy: -150.054 flat angles P-C4'-P energy: -104.727 tors. eta vs tors. theta energy: -94.551 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: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1364.962351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.962351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.962351 (E_RNA) where: Base-Base interactions energy: -749.764 where: short stacking energy: -367.553 Base-Backbone interact. energy: -4.344 local terms energy: -610.855053 where: bonds (distance) C4'-P energy: -142.470 bonds (distance) P-C4' energy: -161.695 flat angles C4'-P-C4' energy: -154.879 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -62.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1284.228791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.228791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.228791 (E_RNA) where: Base-Base interactions energy: -738.168 where: short stacking energy: -364.773 Base-Backbone interact. energy: -2.597 local terms energy: -543.464070 where: bonds (distance) C4'-P energy: -133.763 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -130.276 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -27.025 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: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -980.900027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.900027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.900027 (E_RNA) where: Base-Base interactions energy: -543.655 where: short stacking energy: -273.248 Base-Backbone interact. energy: 0.401 local terms energy: -437.646346 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -137.772 flat angles C4'-P-C4' energy: -124.012 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: 12.148 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: 186 Temperature: 0.900000 Total energy: -3028.128867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.128867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.128867 (E_RNA) where: Base-Base interactions energy: -2061.232 where: short stacking energy: -956.227 Base-Backbone interact. energy: -2.254 local terms energy: -964.642936 where: bonds (distance) C4'-P energy: -174.178 bonds (distance) P-C4' energy: -171.544 flat angles C4'-P-C4' energy: -202.477 flat angles P-C4'-P energy: -132.198 tors. eta vs tors. theta energy: -284.246 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: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2885.317251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.317251 (E_RNA) where: Base-Base interactions energy: -2016.784 where: short stacking energy: -869.626 Base-Backbone interact. energy: -6.868 local terms energy: -861.664934 where: bonds (distance) C4'-P energy: -158.942 bonds (distance) P-C4' energy: -165.444 flat angles C4'-P-C4' energy: -186.094 flat angles P-C4'-P energy: -116.805 tors. eta vs tors. theta energy: -234.379 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: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2761.093568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.093568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.093568 (E_RNA) where: Base-Base interactions energy: -1863.579 where: short stacking energy: -847.247 Base-Backbone interact. energy: -4.189 local terms energy: -893.325342 where: bonds (distance) C4'-P energy: -171.779 bonds (distance) P-C4' energy: -147.162 flat angles C4'-P-C4' energy: -201.020 flat angles P-C4'-P energy: -127.478 tors. eta vs tors. theta energy: -245.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2602.999462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.999462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.999462 (E_RNA) where: Base-Base interactions energy: -1805.387 where: short stacking energy: -775.849 Base-Backbone interact. energy: -1.096 local terms energy: -796.516498 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -154.073 flat angles C4'-P-C4' energy: -177.530 flat angles P-C4'-P energy: -122.774 tors. eta vs tors. theta energy: -190.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2474.671463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.671463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.671463 (E_RNA) where: Base-Base interactions energy: -1668.746 where: short stacking energy: -770.301 Base-Backbone interact. energy: -0.399 local terms energy: -805.526263 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -153.256 flat angles C4'-P-C4' energy: -182.779 flat angles P-C4'-P energy: -116.818 tors. eta vs tors. theta energy: -197.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2067.578104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.578104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.578104 (E_RNA) where: Base-Base interactions energy: -1351.114 where: short stacking energy: -628.650 Base-Backbone interact. energy: -3.499 local terms energy: -712.965520 where: bonds (distance) C4'-P energy: -146.581 bonds (distance) P-C4' energy: -149.991 flat angles C4'-P-C4' energy: -161.686 flat angles P-C4'-P energy: -119.712 tors. eta vs tors. theta energy: -134.995 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: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1639.175365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.175365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.175365 (E_RNA) where: Base-Base interactions energy: -1021.911 where: short stacking energy: -499.293 Base-Backbone interact. energy: -0.431 local terms energy: -616.832843 where: bonds (distance) C4'-P energy: -145.984 bonds (distance) P-C4' energy: -171.318 flat angles C4'-P-C4' energy: -147.156 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -61.304 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: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1425.187403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.187403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.187403 (E_RNA) where: Base-Base interactions energy: -843.405 where: short stacking energy: -419.465 Base-Backbone interact. energy: 8.211 local terms energy: -589.992981 where: bonds (distance) C4'-P energy: -120.018 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -148.830 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -60.331 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: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1261.488018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.488018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.488018 (E_RNA) where: Base-Base interactions energy: -672.218 where: short stacking energy: -352.651 Base-Backbone interact. energy: -5.563 local terms energy: -583.707182 where: bonds (distance) C4'-P energy: -144.477 bonds (distance) P-C4' energy: -153.254 flat angles C4'-P-C4' energy: -138.196 flat angles P-C4'-P energy: -102.684 tors. eta vs tors. theta energy: -45.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -989.484082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.484082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.484082 (E_RNA) where: Base-Base interactions energy: -519.923 where: short stacking energy: -269.597 Base-Backbone interact. energy: -1.396 local terms energy: -468.164752 where: bonds (distance) C4'-P energy: -142.480 bonds (distance) P-C4' energy: -149.741 flat angles C4'-P-C4' energy: -128.104 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: 18.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3028.860463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.860463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.860463 (E_RNA) where: Base-Base interactions energy: -2062.952 where: short stacking energy: -918.238 Base-Backbone interact. energy: -2.089 local terms energy: -963.818766 where: bonds (distance) C4'-P energy: -173.198 bonds (distance) P-C4' energy: -181.189 flat angles C4'-P-C4' energy: -202.951 flat angles P-C4'-P energy: -139.045 tors. eta vs tors. theta energy: -267.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2908.143998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.143998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.143998 (E_RNA) where: Base-Base interactions energy: -1966.521 where: short stacking energy: -871.459 Base-Backbone interact. energy: -5.959 local terms energy: -935.664468 where: bonds (distance) C4'-P energy: -162.376 bonds (distance) P-C4' energy: -186.337 flat angles C4'-P-C4' energy: -194.680 flat angles P-C4'-P energy: -129.546 tors. eta vs tors. theta energy: -262.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2726.751993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.751993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.751993 (E_RNA) where: Base-Base interactions energy: -1830.458 where: short stacking energy: -823.978 Base-Backbone interact. energy: -1.340 local terms energy: -894.954772 where: bonds (distance) C4'-P energy: -162.094 bonds (distance) P-C4' energy: -175.328 flat angles C4'-P-C4' energy: -196.607 flat angles P-C4'-P energy: -135.486 tors. eta vs tors. theta energy: -225.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2594.495101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.495101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.495101 (E_RNA) where: Base-Base interactions energy: -1774.158 where: short stacking energy: -743.195 Base-Backbone interact. energy: -0.330 local terms energy: -820.006559 where: bonds (distance) C4'-P energy: -160.992 bonds (distance) P-C4' energy: -168.524 flat angles C4'-P-C4' energy: -190.792 flat angles P-C4'-P energy: -127.439 tors. eta vs tors. theta energy: -172.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2413.733603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.733603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.733603 (E_RNA) where: Base-Base interactions energy: -1622.263 where: short stacking energy: -698.007 Base-Backbone interact. energy: -1.182 local terms energy: -790.288637 where: bonds (distance) C4'-P energy: -156.234 bonds (distance) P-C4' energy: -166.621 flat angles C4'-P-C4' energy: -178.819 flat angles P-C4'-P energy: -104.915 tors. eta vs tors. theta energy: -183.701 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: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2029.454875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.454875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.454875 (E_RNA) where: Base-Base interactions energy: -1323.336 where: short stacking energy: -567.702 Base-Backbone interact. energy: 5.547 local terms energy: -711.665707 where: bonds (distance) C4'-P energy: -162.499 bonds (distance) P-C4' energy: -155.146 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -106.479 tors. eta vs tors. theta energy: -117.652 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: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1702.769316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.769316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.769316 (E_RNA) where: Base-Base interactions energy: -1036.884 where: short stacking energy: -496.048 Base-Backbone interact. energy: 3.980 local terms energy: -669.865455 where: bonds (distance) C4'-P energy: -161.225 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -147.820 flat angles P-C4'-P energy: -88.684 tors. eta vs tors. theta energy: -102.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1425.916290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.916290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.916290 (E_RNA) where: Base-Base interactions energy: -841.562 where: short stacking energy: -438.358 Base-Backbone interact. energy: 3.950 local terms energy: -588.304265 where: bonds (distance) C4'-P energy: -146.312 bonds (distance) P-C4' energy: -158.747 flat angles C4'-P-C4' energy: -149.628 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -46.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1252.380080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.380080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.380080 (E_RNA) where: Base-Base interactions energy: -726.845 where: short stacking energy: -365.474 Base-Backbone interact. energy: -0.022 local terms energy: -525.512204 where: bonds (distance) C4'-P energy: -132.591 bonds (distance) P-C4' energy: -140.321 flat angles C4'-P-C4' energy: -136.047 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -32.634 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: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -980.997818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.997818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.997818 (E_RNA) where: Base-Base interactions energy: -483.379 where: short stacking energy: -269.817 Base-Backbone interact. energy: -0.340 local terms energy: -497.278218 where: bonds (distance) C4'-P energy: -133.842 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -146.079 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: 18.413 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: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3056.691234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.691234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.691234 (E_RNA) where: Base-Base interactions energy: -2059.250 where: short stacking energy: -934.707 Base-Backbone interact. energy: -1.981 local terms energy: -995.459715 where: bonds (distance) C4'-P energy: -188.361 bonds (distance) P-C4' energy: -179.247 flat angles C4'-P-C4' energy: -201.741 flat angles P-C4'-P energy: -144.074 tors. eta vs tors. theta energy: -282.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2910.511892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.511892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.511892 (E_RNA) where: Base-Base interactions energy: -1961.415 where: short stacking energy: -898.721 Base-Backbone interact. energy: -2.887 local terms energy: -946.210022 where: bonds (distance) C4'-P energy: -170.992 bonds (distance) P-C4' energy: -181.689 flat angles C4'-P-C4' energy: -206.568 flat angles P-C4'-P energy: -134.600 tors. eta vs tors. theta energy: -252.360 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: 188 Temperature: 1.000000 Total energy: -2819.680164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.680164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.680164 (E_RNA) where: Base-Base interactions energy: -1923.076 where: short stacking energy: -859.253 Base-Backbone interact. energy: -3.276 local terms energy: -893.328177 where: bonds (distance) C4'-P energy: -168.921 bonds (distance) P-C4' energy: -163.039 flat angles C4'-P-C4' energy: -197.816 flat angles P-C4'-P energy: -131.578 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: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2597.661903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.661903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.661903 (E_RNA) where: Base-Base interactions energy: -1774.083 where: short stacking energy: -740.133 Base-Backbone interact. energy: 1.450 local terms energy: -825.028372 where: bonds (distance) C4'-P energy: -154.326 bonds (distance) P-C4' energy: -154.803 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -127.984 tors. eta vs tors. theta energy: -196.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2482.731218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.731218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.731218 (E_RNA) where: Base-Base interactions energy: -1665.691 where: short stacking energy: -745.048 Base-Backbone interact. energy: -1.066 local terms energy: -815.974499 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -169.878 flat angles C4'-P-C4' energy: -172.408 flat angles P-C4'-P energy: -126.248 tors. eta vs tors. theta energy: -192.102 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: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2038.066692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.066692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.066692 (E_RNA) where: Base-Base interactions energy: -1351.115 where: short stacking energy: -584.687 Base-Backbone interact. energy: -2.584 local terms energy: -684.367455 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -153.947 flat angles C4'-P-C4' energy: -168.174 flat angles P-C4'-P energy: -101.958 tors. eta vs tors. theta energy: -124.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1690.579425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.579425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.579425 (E_RNA) where: Base-Base interactions energy: -1016.257 where: short stacking energy: -516.506 Base-Backbone interact. energy: 3.943 local terms energy: -678.265572 where: bonds (distance) C4'-P energy: -166.637 bonds (distance) P-C4' energy: -172.607 flat angles C4'-P-C4' energy: -161.774 flat angles P-C4'-P energy: -77.419 tors. eta vs tors. theta energy: -99.829 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: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1413.447366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.447366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.447366 (E_RNA) where: Base-Base interactions energy: -793.711 where: short stacking energy: -412.983 Base-Backbone interact. energy: -1.466 local terms energy: -618.270125 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -150.491 flat angles P-C4'-P energy: -113.056 tors. eta vs tors. theta energy: -43.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1251.839854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.839854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.839854 (E_RNA) where: Base-Base interactions energy: -698.800 where: short stacking energy: -383.763 Base-Backbone interact. energy: -1.472 local terms energy: -551.567192 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -149.702 flat angles C4'-P-C4' energy: -118.157 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -46.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -965.316014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.316014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.316014 (E_RNA) where: Base-Base interactions energy: -489.115 where: short stacking energy: -260.320 Base-Backbone interact. energy: -0.743 local terms energy: -475.458419 where: bonds (distance) C4'-P energy: -164.004 bonds (distance) P-C4' energy: -146.504 flat angles C4'-P-C4' energy: -127.533 flat angles P-C4'-P energy: -71.878 tors. eta vs tors. theta energy: 34.462 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: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3068.668499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.668499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.668499 (E_RNA) where: Base-Base interactions energy: -2092.717 where: short stacking energy: -947.960 Base-Backbone interact. energy: 1.148 local terms energy: -977.099998 where: bonds (distance) C4'-P energy: -180.520 bonds (distance) P-C4' energy: -174.739 flat angles C4'-P-C4' energy: -214.920 flat angles P-C4'-P energy: -132.757 tors. eta vs tors. theta energy: -274.164 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: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2896.405173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.405173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.405173 (E_RNA) where: Base-Base interactions energy: -1953.976 where: short stacking energy: -900.834 Base-Backbone interact. energy: -3.667 local terms energy: -938.762428 where: bonds (distance) C4'-P energy: -160.203 bonds (distance) P-C4' energy: -183.209 flat angles C4'-P-C4' energy: -199.853 flat angles P-C4'-P energy: -136.454 tors. eta vs tors. theta energy: -259.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2835.327707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.327707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.327707 (E_RNA) where: Base-Base interactions energy: -1933.375 where: short stacking energy: -851.882 Base-Backbone interact. energy: -4.444 local terms energy: -897.508734 where: bonds (distance) C4'-P energy: -178.351 bonds (distance) P-C4' energy: -177.817 flat angles C4'-P-C4' energy: -176.566 flat angles P-C4'-P energy: -128.348 tors. eta vs tors. theta energy: -236.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2606.918839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.918839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.918839 (E_RNA) where: Base-Base interactions energy: -1778.205 where: short stacking energy: -764.038 Base-Backbone interact. energy: -3.901 local terms energy: -824.812374 where: bonds (distance) C4'-P energy: -153.285 bonds (distance) P-C4' energy: -169.685 flat angles C4'-P-C4' energy: -177.565 flat angles P-C4'-P energy: -131.549 tors. eta vs tors. theta energy: -192.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2455.468611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.468611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.468611 (E_RNA) where: Base-Base interactions energy: -1628.849 where: short stacking energy: -705.405 Base-Backbone interact. energy: -3.342 local terms energy: -823.277784 where: bonds (distance) C4'-P energy: -147.014 bonds (distance) P-C4' energy: -178.367 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -114.672 tors. eta vs tors. theta energy: -191.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2116.512289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.512289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.512289 (E_RNA) where: Base-Base interactions energy: -1389.512 where: short stacking energy: -628.949 Base-Backbone interact. energy: -0.908 local terms energy: -726.092799 where: bonds (distance) C4'-P energy: -152.785 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -153.737 flat angles P-C4'-P energy: -132.642 tors. eta vs tors. theta energy: -135.039 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: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1764.395635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.395635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.395635 (E_RNA) where: Base-Base interactions energy: -1100.373 where: short stacking energy: -498.316 Base-Backbone interact. energy: -0.411 local terms energy: -663.611125 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -149.528 flat angles P-C4'-P energy: -106.023 tors. eta vs tors. theta energy: -111.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1398.238462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.238462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.238462 (E_RNA) where: Base-Base interactions energy: -860.975 where: short stacking energy: -421.137 Base-Backbone interact. energy: 1.359 local terms energy: -538.622377 where: bonds (distance) C4'-P energy: -124.564 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -149.996 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: -63.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1333.006880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.006880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.006880 (E_RNA) where: Base-Base interactions energy: -776.366 where: short stacking energy: -384.486 Base-Backbone interact. energy: -1.007 local terms energy: -555.633787 where: bonds (distance) C4'-P energy: -138.357 bonds (distance) P-C4' energy: -135.353 flat angles C4'-P-C4' energy: -139.775 flat angles P-C4'-P energy: -84.496 tors. eta vs tors. theta energy: -57.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -930.374371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.374371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.374371 (E_RNA) where: Base-Base interactions energy: -425.412 where: short stacking energy: -242.063 Base-Backbone interact. energy: 4.450 local terms energy: -509.413038 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -183.858 flat angles C4'-P-C4' energy: -140.024 flat angles P-C4'-P energy: -55.416 tors. eta vs tors. theta energy: 13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3028.076048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.076048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.076048 (E_RNA) where: Base-Base interactions energy: -2062.029 where: short stacking energy: -957.881 Base-Backbone interact. energy: -0.279 local terms energy: -965.768465 where: bonds (distance) C4'-P energy: -184.794 bonds (distance) P-C4' energy: -172.203 flat angles C4'-P-C4' energy: -192.938 flat angles P-C4'-P energy: -143.236 tors. eta vs tors. theta energy: -272.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2880.197674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.197674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.197674 (E_RNA) where: Base-Base interactions energy: -1993.255 where: short stacking energy: -869.527 Base-Backbone interact. energy: -5.557 local terms energy: -881.385619 where: bonds (distance) C4'-P energy: -168.872 bonds (distance) P-C4' energy: -170.110 flat angles C4'-P-C4' energy: -191.164 flat angles P-C4'-P energy: -122.404 tors. eta vs tors. theta energy: -228.837 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: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2810.660831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.660831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.660831 (E_RNA) where: Base-Base interactions energy: -1907.631 where: short stacking energy: -851.793 Base-Backbone interact. energy: -3.671 local terms energy: -899.358404 where: bonds (distance) C4'-P energy: -161.309 bonds (distance) P-C4' energy: -166.153 flat angles C4'-P-C4' energy: -194.475 flat angles P-C4'-P energy: -134.550 tors. eta vs tors. theta energy: -242.871 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: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2571.569030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.569030 (E_RNA) where: Base-Base interactions energy: -1745.053 where: short stacking energy: -727.584 Base-Backbone interact. energy: -3.413 local terms energy: -823.102429 where: bonds (distance) C4'-P energy: -163.746 bonds (distance) P-C4' energy: -181.074 flat angles C4'-P-C4' energy: -189.541 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -164.697 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: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2486.909504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.909504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.909504 (E_RNA) where: Base-Base interactions energy: -1677.722 where: short stacking energy: -756.233 Base-Backbone interact. energy: -5.814 local terms energy: -803.373343 where: bonds (distance) C4'-P energy: -155.207 bonds (distance) P-C4' energy: -141.144 flat angles C4'-P-C4' energy: -182.859 flat angles P-C4'-P energy: -111.751 tors. eta vs tors. theta energy: -212.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2159.256099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.256099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.256099 (E_RNA) where: Base-Base interactions energy: -1467.168 where: short stacking energy: -643.302 Base-Backbone interact. energy: -0.942 local terms energy: -691.145514 where: bonds (distance) C4'-P energy: -152.918 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -113.365 tors. eta vs tors. theta energy: -149.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1704.332514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.332514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.332514 (E_RNA) where: Base-Base interactions energy: -1083.691 where: short stacking energy: -519.837 Base-Backbone interact. energy: 1.416 local terms energy: -622.057587 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -144.628 flat angles C4'-P-C4' energy: -154.408 flat angles P-C4'-P energy: -83.090 tors. eta vs tors. theta energy: -106.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1331.752678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.752678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.752678 (E_RNA) where: Base-Base interactions energy: -786.238 where: short stacking energy: -400.617 Base-Backbone interact. energy: 6.146 local terms energy: -551.660648 where: bonds (distance) C4'-P energy: -143.315 bonds (distance) P-C4' energy: -151.572 flat angles C4'-P-C4' energy: -133.743 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -35.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1328.089842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.089842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.089842 (E_RNA) where: Base-Base interactions energy: -766.037 where: short stacking energy: -382.571 Base-Backbone interact. energy: 6.494 local terms energy: -568.546275 where: bonds (distance) C4'-P energy: -144.517 bonds (distance) P-C4' energy: -172.259 flat angles C4'-P-C4' energy: -138.681 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -38.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -937.711366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.711366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.711366 (E_RNA) where: Base-Base interactions energy: -503.353 where: short stacking energy: -274.154 Base-Backbone interact. energy: 2.325 local terms energy: -436.683587 where: bonds (distance) C4'-P energy: -139.953 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -108.766 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: 20.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3048.710243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.710243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.710243 (E_RNA) where: Base-Base interactions energy: -2058.864 where: short stacking energy: -985.899 Base-Backbone interact. energy: -2.531 local terms energy: -987.314591 where: bonds (distance) C4'-P energy: -175.054 bonds (distance) P-C4' energy: -175.375 flat angles C4'-P-C4' energy: -202.585 flat angles P-C4'-P energy: -147.930 tors. eta vs tors. theta energy: -286.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2916.032960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.032960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.032960 (E_RNA) where: Base-Base interactions energy: -1998.193 where: short stacking energy: -893.265 Base-Backbone interact. energy: -2.848 local terms energy: -914.991807 where: bonds (distance) C4'-P energy: -165.613 bonds (distance) P-C4' energy: -179.003 flat angles C4'-P-C4' energy: -187.018 flat angles P-C4'-P energy: -130.287 tors. eta vs tors. theta energy: -253.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2778.678544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.678544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.678544 (E_RNA) where: Base-Base interactions energy: -1884.686 where: short stacking energy: -811.980 Base-Backbone interact. energy: -2.190 local terms energy: -891.802729 where: bonds (distance) C4'-P energy: -178.520 bonds (distance) P-C4' energy: -183.592 flat angles C4'-P-C4' energy: -190.468 flat angles P-C4'-P energy: -122.914 tors. eta vs tors. theta energy: -216.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2538.624847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.624847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.624847 (E_RNA) where: Base-Base interactions energy: -1698.064 where: short stacking energy: -736.746 Base-Backbone interact. energy: -2.083 local terms energy: -838.477322 where: bonds (distance) C4'-P energy: -167.885 bonds (distance) P-C4' energy: -176.114 flat angles C4'-P-C4' energy: -182.967 flat angles P-C4'-P energy: -122.380 tors. eta vs tors. theta energy: -189.131 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: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2491.053136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.053136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.053136 (E_RNA) where: Base-Base interactions energy: -1697.045 where: short stacking energy: -749.821 Base-Backbone interact. energy: -2.928 local terms energy: -791.080773 where: bonds (distance) C4'-P energy: -150.779 bonds (distance) P-C4' energy: -164.824 flat angles C4'-P-C4' energy: -176.493 flat angles P-C4'-P energy: -110.364 tors. eta vs tors. theta energy: -188.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2126.702470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.702470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.702470 (E_RNA) where: Base-Base interactions energy: -1372.921 where: short stacking energy: -617.012 Base-Backbone interact. energy: -3.336 local terms energy: -750.445815 where: bonds (distance) C4'-P energy: -145.932 bonds (distance) P-C4' energy: -161.366 flat angles C4'-P-C4' energy: -182.616 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -147.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1828.819978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.819978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.819978 (E_RNA) where: Base-Base interactions energy: -1147.943 where: short stacking energy: -534.188 Base-Backbone interact. energy: -3.180 local terms energy: -677.697047 where: bonds (distance) C4'-P energy: -136.867 bonds (distance) P-C4' energy: -160.321 flat angles C4'-P-C4' energy: -167.340 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -105.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1341.660869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.660869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.660869 (E_RNA) where: Base-Base interactions energy: -786.505 where: short stacking energy: -373.460 Base-Backbone interact. energy: 0.054 local terms energy: -555.209637 where: bonds (distance) C4'-P energy: -130.215 bonds (distance) P-C4' energy: -154.508 flat angles C4'-P-C4' energy: -153.055 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -45.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1318.577491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.577491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.577491 (E_RNA) where: Base-Base interactions energy: -788.834 where: short stacking energy: -406.640 Base-Backbone interact. energy: 0.791 local terms energy: -530.535020 where: bonds (distance) C4'-P energy: -130.300 bonds (distance) P-C4' energy: -153.232 flat angles C4'-P-C4' energy: -136.088 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -48.184 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: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -930.135114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.135114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.135114 (E_RNA) where: Base-Base interactions energy: -466.292 where: short stacking energy: -248.688 Base-Backbone interact. energy: 6.298 local terms energy: -470.141744 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -142.399 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: 5.595 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: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3033.203839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.203839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.203839 (E_RNA) where: Base-Base interactions energy: -2006.107 where: short stacking energy: -938.905 Base-Backbone interact. energy: -2.208 local terms energy: -1024.889333 where: bonds (distance) C4'-P energy: -191.373 bonds (distance) P-C4' energy: -187.977 flat angles C4'-P-C4' energy: -218.077 flat angles P-C4'-P energy: -157.717 tors. eta vs tors. theta energy: -269.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2929.717335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.717335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.717335 (E_RNA) where: Base-Base interactions energy: -2021.230 where: short stacking energy: -911.346 Base-Backbone interact. energy: 4.093 local terms energy: -912.579939 where: bonds (distance) C4'-P energy: -154.160 bonds (distance) P-C4' energy: -172.216 flat angles C4'-P-C4' energy: -202.815 flat angles P-C4'-P energy: -115.452 tors. eta vs tors. theta energy: -267.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2814.773536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.773536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.773536 (E_RNA) where: Base-Base interactions energy: -1922.801 where: short stacking energy: -850.081 Base-Backbone interact. energy: -2.112 local terms energy: -889.860906 where: bonds (distance) C4'-P energy: -158.350 bonds (distance) P-C4' energy: -180.158 flat angles C4'-P-C4' energy: -193.030 flat angles P-C4'-P energy: -130.597 tors. eta vs tors. theta energy: -227.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2541.054221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.054221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.054221 (E_RNA) where: Base-Base interactions energy: -1724.698 where: short stacking energy: -747.761 Base-Backbone interact. energy: 2.008 local terms energy: -818.363647 where: bonds (distance) C4'-P energy: -159.120 bonds (distance) P-C4' energy: -180.745 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -121.978 tors. eta vs tors. theta energy: -173.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2436.934028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.934028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.934028 (E_RNA) where: Base-Base interactions energy: -1667.565 where: short stacking energy: -711.813 Base-Backbone interact. energy: 1.011 local terms energy: -770.380714 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -178.834 flat angles C4'-P-C4' energy: -167.558 flat angles P-C4'-P energy: -104.706 tors. eta vs tors. theta energy: -183.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2067.645192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.645192 (E_RNA) where: Base-Base interactions energy: -1364.243 where: short stacking energy: -641.922 Base-Backbone interact. energy: -2.628 local terms energy: -700.774172 where: bonds (distance) C4'-P energy: -147.640 bonds (distance) P-C4' energy: -142.109 flat angles C4'-P-C4' energy: -183.873 flat angles P-C4'-P energy: -97.475 tors. eta vs tors. theta energy: -129.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1823.895108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.895108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.895108 (E_RNA) where: Base-Base interactions energy: -1164.464 where: short stacking energy: -552.301 Base-Backbone interact. energy: 3.958 local terms energy: -663.388900 where: bonds (distance) C4'-P energy: -139.691 bonds (distance) P-C4' energy: -158.952 flat angles C4'-P-C4' energy: -158.028 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -115.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1360.230347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.230347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.230347 (E_RNA) where: Base-Base interactions energy: -762.009 where: short stacking energy: -387.260 Base-Backbone interact. energy: -1.698 local terms energy: -596.523177 where: bonds (distance) C4'-P energy: -150.019 bonds (distance) P-C4' energy: -171.079 flat angles C4'-P-C4' energy: -141.658 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -62.928 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: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1301.108040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.108040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.108040 (E_RNA) where: Base-Base interactions energy: -743.759 where: short stacking energy: -357.652 Base-Backbone interact. energy: 0.383 local terms energy: -557.731615 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -168.586 flat angles C4'-P-C4' energy: -147.881 flat angles P-C4'-P energy: -75.473 tors. eta vs tors. theta energy: -35.964 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: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -907.724094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.724094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.724094 (E_RNA) where: Base-Base interactions energy: -436.537 where: short stacking energy: -234.197 Base-Backbone interact. energy: -0.842 local terms energy: -470.345022 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -152.911 flat angles C4'-P-C4' energy: -135.392 flat angles P-C4'-P energy: -100.881 tors. eta vs tors. theta energy: 41.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3049.069335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.069335 (E_RNA) where: Base-Base interactions energy: -2057.156 where: short stacking energy: -960.979 Base-Backbone interact. energy: -2.328 local terms energy: -989.585620 where: bonds (distance) C4'-P energy: -170.492 bonds (distance) P-C4' energy: -186.642 flat angles C4'-P-C4' energy: -214.803 flat angles P-C4'-P energy: -151.252 tors. eta vs tors. theta energy: -266.397 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: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2907.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.577248 (E_RNA) where: Base-Base interactions energy: -1986.511 where: short stacking energy: -893.472 Base-Backbone interact. energy: -4.271 local terms energy: -916.794697 where: bonds (distance) C4'-P energy: -172.837 bonds (distance) P-C4' energy: -158.026 flat angles C4'-P-C4' energy: -189.663 flat angles P-C4'-P energy: -141.688 tors. eta vs tors. theta energy: -254.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2817.426571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.426571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.426571 (E_RNA) where: Base-Base interactions energy: -1912.570 where: short stacking energy: -840.725 Base-Backbone interact. energy: -1.562 local terms energy: -903.294068 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -168.029 flat angles C4'-P-C4' energy: -192.562 flat angles P-C4'-P energy: -129.457 tors. eta vs tors. theta energy: -249.077 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: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2562.889842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.889842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.889842 (E_RNA) where: Base-Base interactions energy: -1759.908 where: short stacking energy: -750.026 Base-Backbone interact. energy: -0.321 local terms energy: -802.661285 where: bonds (distance) C4'-P energy: -150.526 bonds (distance) P-C4' energy: -166.769 flat angles C4'-P-C4' energy: -166.746 flat angles P-C4'-P energy: -123.101 tors. eta vs tors. theta energy: -195.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2493.885443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.885443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.885443 (E_RNA) where: Base-Base interactions energy: -1674.241 where: short stacking energy: -744.770 Base-Backbone interact. energy: -1.577 local terms energy: -818.067654 where: bonds (distance) C4'-P energy: -158.807 bonds (distance) P-C4' energy: -164.166 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -119.533 tors. eta vs tors. theta energy: -199.690 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: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2013.043392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.043392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.043392 (E_RNA) where: Base-Base interactions energy: -1300.095 where: short stacking energy: -598.483 Base-Backbone interact. energy: 8.875 local terms energy: -721.824030 where: bonds (distance) C4'-P energy: -133.858 bonds (distance) P-C4' energy: -160.694 flat angles C4'-P-C4' energy: -170.205 flat angles P-C4'-P energy: -115.007 tors. eta vs tors. theta energy: -142.060 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: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1834.413921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.413921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.413921 (E_RNA) where: Base-Base interactions energy: -1145.395 where: short stacking energy: -555.353 Base-Backbone interact. energy: 0.028 local terms energy: -689.047272 where: bonds (distance) C4'-P energy: -138.921 bonds (distance) P-C4' energy: -168.548 flat angles C4'-P-C4' energy: -160.117 flat angles P-C4'-P energy: -95.633 tors. eta vs tors. theta energy: -125.828 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: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1375.181296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.181296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.181296 (E_RNA) where: Base-Base interactions energy: -790.313 where: short stacking energy: -389.037 Base-Backbone interact. energy: -0.103 local terms energy: -584.765380 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -175.390 flat angles C4'-P-C4' energy: -145.250 flat angles P-C4'-P energy: -80.745 tors. eta vs tors. theta energy: -33.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1295.428648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.428648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.428648 (E_RNA) where: Base-Base interactions energy: -733.925 where: short stacking energy: -351.093 Base-Backbone interact. energy: 1.391 local terms energy: -562.894589 where: bonds (distance) C4'-P energy: -132.642 bonds (distance) P-C4' energy: -157.171 flat angles C4'-P-C4' energy: -146.193 flat angles P-C4'-P energy: -75.147 tors. eta vs tors. theta energy: -51.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -875.747318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.747318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.747318 (E_RNA) where: Base-Base interactions energy: -399.748 where: short stacking energy: -250.088 Base-Backbone interact. energy: -0.316 local terms energy: -475.682915 where: bonds (distance) C4'-P energy: -158.273 bonds (distance) P-C4' energy: -156.298 flat angles C4'-P-C4' energy: -108.383 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: 5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3073.170068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.170068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.170068 (E_RNA) where: Base-Base interactions energy: -2121.247 where: short stacking energy: -956.523 Base-Backbone interact. energy: -1.058 local terms energy: -950.865109 where: bonds (distance) C4'-P energy: -176.983 bonds (distance) P-C4' energy: -173.575 flat angles C4'-P-C4' energy: -207.042 flat angles P-C4'-P energy: -133.876 tors. eta vs tors. theta energy: -259.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2917.820730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.820730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.820730 (E_RNA) where: Base-Base interactions energy: -1982.968 where: short stacking energy: -916.215 Base-Backbone interact. energy: 4.612 local terms energy: -939.464725 where: bonds (distance) C4'-P energy: -164.236 bonds (distance) P-C4' energy: -183.275 flat angles C4'-P-C4' energy: -203.952 flat angles P-C4'-P energy: -127.439 tors. eta vs tors. theta energy: -260.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2806.197295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.197295 (E_RNA) where: Base-Base interactions energy: -1922.213 where: short stacking energy: -827.777 Base-Backbone interact. energy: 2.998 local terms energy: -886.982135 where: bonds (distance) C4'-P energy: -170.410 bonds (distance) P-C4' energy: -171.310 flat angles C4'-P-C4' energy: -183.043 flat angles P-C4'-P energy: -133.356 tors. eta vs tors. theta energy: -228.863 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: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2573.098487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.098487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.098487 (E_RNA) where: Base-Base interactions energy: -1766.086 where: short stacking energy: -740.418 Base-Backbone interact. energy: -3.823 local terms energy: -803.189185 where: bonds (distance) C4'-P energy: -165.313 bonds (distance) P-C4' energy: -165.564 flat angles C4'-P-C4' energy: -173.415 flat angles P-C4'-P energy: -107.801 tors. eta vs tors. theta energy: -191.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2439.645097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.645097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.645097 (E_RNA) where: Base-Base interactions energy: -1661.113 where: short stacking energy: -740.894 Base-Backbone interact. energy: -3.537 local terms energy: -774.995683 where: bonds (distance) C4'-P energy: -157.476 bonds (distance) P-C4' energy: -166.289 flat angles C4'-P-C4' energy: -177.773 flat angles P-C4'-P energy: -83.275 tors. eta vs tors. theta energy: -190.182 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: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2062.372768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.372768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.372768 (E_RNA) where: Base-Base interactions energy: -1359.228 where: short stacking energy: -578.788 Base-Backbone interact. energy: 1.987 local terms energy: -705.132285 where: bonds (distance) C4'-P energy: -141.697 bonds (distance) P-C4' energy: -163.038 flat angles C4'-P-C4' energy: -168.101 flat angles P-C4'-P energy: -92.795 tors. eta vs tors. theta energy: -139.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1860.158493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.158493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.158493 (E_RNA) where: Base-Base interactions energy: -1197.784 where: short stacking energy: -549.931 Base-Backbone interact. energy: 4.412 local terms energy: -666.786748 where: bonds (distance) C4'-P energy: -139.940 bonds (distance) P-C4' energy: -158.022 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -108.615 tors. eta vs tors. theta energy: -115.038 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: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1383.628486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.628486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.628486 (E_RNA) where: Base-Base interactions energy: -790.320 where: short stacking energy: -395.934 Base-Backbone interact. energy: 2.312 local terms energy: -595.620135 where: bonds (distance) C4'-P energy: -157.994 bonds (distance) P-C4' energy: -156.800 flat angles C4'-P-C4' energy: -126.037 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -62.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1321.218085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.218085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.218085 (E_RNA) where: Base-Base interactions energy: -779.221 where: short stacking energy: -398.239 Base-Backbone interact. energy: 4.979 local terms energy: -546.975992 where: bonds (distance) C4'-P energy: -120.949 bonds (distance) P-C4' energy: -140.017 flat angles C4'-P-C4' energy: -117.550 flat angles P-C4'-P energy: -99.663 tors. eta vs tors. theta energy: -68.796 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: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -903.331932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.331932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.331932 (E_RNA) where: Base-Base interactions energy: -434.657 where: short stacking energy: -259.622 Base-Backbone interact. energy: 0.317 local terms energy: -468.991813 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -155.869 flat angles C4'-P-C4' energy: -122.679 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: 2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3041.310449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.310449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.310449 (E_RNA) where: Base-Base interactions energy: -2087.287 where: short stacking energy: -967.289 Base-Backbone interact. energy: -2.168 local terms energy: -951.855816 where: bonds (distance) C4'-P energy: -162.483 bonds (distance) P-C4' energy: -182.141 flat angles C4'-P-C4' energy: -191.598 flat angles P-C4'-P energy: -136.271 tors. eta vs tors. theta energy: -279.363 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: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2868.832115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.832115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.832115 (E_RNA) where: Base-Base interactions energy: -1921.779 where: short stacking energy: -862.851 Base-Backbone interact. energy: 0.353 local terms energy: -947.406791 where: bonds (distance) C4'-P energy: -182.906 bonds (distance) P-C4' energy: -190.460 flat angles C4'-P-C4' energy: -194.371 flat angles P-C4'-P energy: -129.647 tors. eta vs tors. theta energy: -250.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2804.009694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.009694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.009694 (E_RNA) where: Base-Base interactions energy: -1890.976 where: short stacking energy: -841.813 Base-Backbone interact. energy: -2.550 local terms energy: -910.483705 where: bonds (distance) C4'-P energy: -174.414 bonds (distance) P-C4' energy: -184.663 flat angles C4'-P-C4' energy: -191.904 flat angles P-C4'-P energy: -123.977 tors. eta vs tors. theta energy: -235.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2660.956464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.956464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.956464 (E_RNA) where: Base-Base interactions energy: -1849.321 where: short stacking energy: -780.067 Base-Backbone interact. energy: -1.938 local terms energy: -809.696776 where: bonds (distance) C4'-P energy: -154.743 bonds (distance) P-C4' energy: -173.443 flat angles C4'-P-C4' energy: -164.628 flat angles P-C4'-P energy: -105.354 tors. eta vs tors. theta energy: -211.529 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: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2449.568234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.568234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.568234 (E_RNA) where: Base-Base interactions energy: -1658.827 where: short stacking energy: -760.546 Base-Backbone interact. energy: -2.578 local terms energy: -788.164014 where: bonds (distance) C4'-P energy: -139.319 bonds (distance) P-C4' energy: -157.867 flat angles C4'-P-C4' energy: -186.332 flat angles P-C4'-P energy: -102.977 tors. eta vs tors. theta energy: -201.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2095.912775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.912775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.912775 (E_RNA) where: Base-Base interactions energy: -1362.021 where: short stacking energy: -639.622 Base-Backbone interact. energy: -0.062 local terms energy: -733.829833 where: bonds (distance) C4'-P energy: -161.730 bonds (distance) P-C4' energy: -165.229 flat angles C4'-P-C4' energy: -162.244 flat angles P-C4'-P energy: -95.512 tors. eta vs tors. theta energy: -149.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1813.916113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.916113 (E_RNA) where: Base-Base interactions energy: -1135.288 where: short stacking energy: -561.253 Base-Backbone interact. energy: 5.282 local terms energy: -683.910232 where: bonds (distance) C4'-P energy: -168.422 bonds (distance) P-C4' energy: -154.110 flat angles C4'-P-C4' energy: -152.986 flat angles P-C4'-P energy: -92.106 tors. eta vs tors. theta energy: -116.287 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1381.171031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.171031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.171031 (E_RNA) where: Base-Base interactions energy: -792.929 where: short stacking energy: -404.126 Base-Backbone interact. energy: -1.950 local terms energy: -586.291792 where: bonds (distance) C4'-P energy: -137.450 bonds (distance) P-C4' energy: -169.792 flat angles C4'-P-C4' energy: -133.070 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -64.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1262.238658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.238658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.238658 (E_RNA) where: Base-Base interactions energy: -689.474 where: short stacking energy: -347.410 Base-Backbone interact. energy: -1.484 local terms energy: -571.280619 where: bonds (distance) C4'-P energy: -144.529 bonds (distance) P-C4' energy: -158.651 flat angles C4'-P-C4' energy: -154.261 flat angles P-C4'-P energy: -84.368 tors. eta vs tors. theta energy: -29.471 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -925.227539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.227539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.227539 (E_RNA) where: Base-Base interactions energy: -450.541 where: short stacking energy: -275.907 Base-Backbone interact. energy: -1.925 local terms energy: -472.761446 where: bonds (distance) C4'-P energy: -146.711 bonds (distance) P-C4' energy: -125.563 flat angles C4'-P-C4' energy: -123.851 flat angles P-C4'-P energy: -77.956 tors. eta vs tors. theta energy: 1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3039.575339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.575339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.575339 (E_RNA) where: Base-Base interactions energy: -2053.270 where: short stacking energy: -930.732 Base-Backbone interact. energy: -2.442 local terms energy: -983.862610 where: bonds (distance) C4'-P energy: -184.351 bonds (distance) P-C4' energy: -181.144 flat angles C4'-P-C4' energy: -195.480 flat angles P-C4'-P energy: -141.968 tors. eta vs tors. theta energy: -280.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2880.467441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.467441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.467441 (E_RNA) where: Base-Base interactions energy: -1966.983 where: short stacking energy: -846.423 Base-Backbone interact. energy: -2.550 local terms energy: -910.934739 where: bonds (distance) C4'-P energy: -175.487 bonds (distance) P-C4' energy: -167.277 flat angles C4'-P-C4' energy: -195.884 flat angles P-C4'-P energy: -120.512 tors. eta vs tors. theta energy: -251.774 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: 196 Temperature: 1.000000 Total energy: -2863.721489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.721489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.721489 (E_RNA) where: Base-Base interactions energy: -1939.357 where: short stacking energy: -901.042 Base-Backbone interact. energy: -4.107 local terms energy: -920.258287 where: bonds (distance) C4'-P energy: -169.968 bonds (distance) P-C4' energy: -168.315 flat angles C4'-P-C4' energy: -208.363 flat angles P-C4'-P energy: -126.821 tors. eta vs tors. theta energy: -246.792 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: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2675.004848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.004848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.004848 (E_RNA) where: Base-Base interactions energy: -1846.212 where: short stacking energy: -776.168 Base-Backbone interact. energy: 4.036 local terms energy: -832.828893 where: bonds (distance) C4'-P energy: -137.557 bonds (distance) P-C4' energy: -171.987 flat angles C4'-P-C4' energy: -192.061 flat angles P-C4'-P energy: -112.158 tors. eta vs tors. theta energy: -219.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2494.219477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.219477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.219477 (E_RNA) where: Base-Base interactions energy: -1676.734 where: short stacking energy: -758.829 Base-Backbone interact. energy: 10.297 local terms energy: -827.782456 where: bonds (distance) C4'-P energy: -166.453 bonds (distance) P-C4' energy: -168.780 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -114.988 tors. eta vs tors. theta energy: -201.096 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: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2042.780803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.780803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.780803 (E_RNA) where: Base-Base interactions energy: -1304.986 where: short stacking energy: -563.780 Base-Backbone interact. energy: 0.626 local terms energy: -738.421536 where: bonds (distance) C4'-P energy: -161.710 bonds (distance) P-C4' energy: -175.867 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -109.862 tors. eta vs tors. theta energy: -131.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1852.683048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.683048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.683048 (E_RNA) where: Base-Base interactions energy: -1167.432 where: short stacking energy: -552.987 Base-Backbone interact. energy: 4.617 local terms energy: -689.868352 where: bonds (distance) C4'-P energy: -132.204 bonds (distance) P-C4' energy: -163.947 flat angles C4'-P-C4' energy: -175.448 flat angles P-C4'-P energy: -101.293 tors. eta vs tors. theta energy: -116.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1369.907151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.907151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.907151 (E_RNA) where: Base-Base interactions energy: -762.812 where: short stacking energy: -379.832 Base-Backbone interact. energy: -0.878 local terms energy: -606.217853 where: bonds (distance) C4'-P energy: -162.876 bonds (distance) P-C4' energy: -155.861 flat angles C4'-P-C4' energy: -155.592 flat angles P-C4'-P energy: -79.917 tors. eta vs tors. theta energy: -51.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1279.806010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.806010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.806010 (E_RNA) where: Base-Base interactions energy: -733.586 where: short stacking energy: -387.004 Base-Backbone interact. energy: 0.817 local terms energy: -547.036524 where: bonds (distance) C4'-P energy: -147.112 bonds (distance) P-C4' energy: -146.166 flat angles C4'-P-C4' energy: -132.195 flat angles P-C4'-P energy: -73.232 tors. eta vs tors. theta energy: -48.331 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: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -972.549357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.549357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.549357 (E_RNA) where: Base-Base interactions energy: -518.168 where: short stacking energy: -296.296 Base-Backbone interact. energy: -0.875 local terms energy: -453.505462 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -143.868 flat angles C4'-P-C4' energy: -113.498 flat angles P-C4'-P energy: -67.106 tors. eta vs tors. theta energy: -9.598 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: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3053.577510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.577510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.577510 (E_RNA) where: Base-Base interactions energy: -2086.833 where: short stacking energy: -947.166 Base-Backbone interact. energy: -3.261 local terms energy: -963.483857 where: bonds (distance) C4'-P energy: -181.779 bonds (distance) P-C4' energy: -189.914 flat angles C4'-P-C4' energy: -199.304 flat angles P-C4'-P energy: -123.763 tors. eta vs tors. theta energy: -268.723 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: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2876.634959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.634959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.634959 (E_RNA) where: Base-Base interactions energy: -1960.223 where: short stacking energy: -872.945 Base-Backbone interact. energy: -3.521 local terms energy: -912.890806 where: bonds (distance) C4'-P energy: -166.077 bonds (distance) P-C4' energy: -176.131 flat angles C4'-P-C4' energy: -189.974 flat angles P-C4'-P energy: -130.392 tors. eta vs tors. theta energy: -250.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2863.589831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.589831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.589831 (E_RNA) where: Base-Base interactions energy: -1925.991 where: short stacking energy: -869.925 Base-Backbone interact. energy: -1.247 local terms energy: -936.351094 where: bonds (distance) C4'-P energy: -174.146 bonds (distance) P-C4' energy: -171.182 flat angles C4'-P-C4' energy: -189.717 flat angles P-C4'-P energy: -149.356 tors. eta vs tors. theta energy: -251.950 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: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2624.764633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.764633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.764633 (E_RNA) where: Base-Base interactions energy: -1792.232 where: short stacking energy: -751.546 Base-Backbone interact. energy: -1.365 local terms energy: -831.168450 where: bonds (distance) C4'-P energy: -176.364 bonds (distance) P-C4' energy: -174.303 flat angles C4'-P-C4' energy: -184.336 flat angles P-C4'-P energy: -105.571 tors. eta vs tors. theta energy: -190.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2484.038816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.038816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.038816 (E_RNA) where: Base-Base interactions energy: -1662.715 where: short stacking energy: -737.342 Base-Backbone interact. energy: -1.451 local terms energy: -819.873048 where: bonds (distance) C4'-P energy: -153.585 bonds (distance) P-C4' energy: -169.841 flat angles C4'-P-C4' energy: -182.424 flat angles P-C4'-P energy: -121.122 tors. eta vs tors. theta energy: -192.900 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: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2077.621536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.621536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.621536 (E_RNA) where: Base-Base interactions energy: -1370.423 where: short stacking energy: -614.551 Base-Backbone interact. energy: -0.987 local terms energy: -706.211832 where: bonds (distance) C4'-P energy: -148.353 bonds (distance) P-C4' energy: -139.111 flat angles C4'-P-C4' energy: -178.718 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -137.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1850.975424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.975424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.975424 (E_RNA) where: Base-Base interactions energy: -1147.372 where: short stacking energy: -545.507 Base-Backbone interact. energy: -3.907 local terms energy: -699.696088 where: bonds (distance) C4'-P energy: -160.685 bonds (distance) P-C4' energy: -186.151 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -76.659 tors. eta vs tors. theta energy: -112.637 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1421.184256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.184256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.184256 (E_RNA) where: Base-Base interactions energy: -805.396 where: short stacking energy: -414.454 Base-Backbone interact. energy: -1.020 local terms energy: -614.767495 where: bonds (distance) C4'-P energy: -144.904 bonds (distance) P-C4' energy: -157.764 flat angles C4'-P-C4' energy: -150.640 flat angles P-C4'-P energy: -89.474 tors. eta vs tors. theta energy: -71.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1279.049099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.049099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.049099 (E_RNA) where: Base-Base interactions energy: -745.679 where: short stacking energy: -382.037 Base-Backbone interact. energy: 2.398 local terms energy: -535.768674 where: bonds (distance) C4'-P energy: -130.199 bonds (distance) P-C4' energy: -136.661 flat angles C4'-P-C4' energy: -140.003 flat angles P-C4'-P energy: -96.709 tors. eta vs tors. theta energy: -32.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -882.372595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.372595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.372595 (E_RNA) where: Base-Base interactions energy: -410.099 where: short stacking energy: -222.149 Base-Backbone interact. energy: 10.292 local terms energy: -482.566106 where: bonds (distance) C4'-P energy: -140.777 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -123.917 flat angles P-C4'-P energy: -77.628 tors. eta vs tors. theta energy: 17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3007.158212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.158212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.158212 (E_RNA) where: Base-Base interactions energy: -2050.474 where: short stacking energy: -957.194 Base-Backbone interact. energy: -2.048 local terms energy: -954.636030 where: bonds (distance) C4'-P energy: -165.409 bonds (distance) P-C4' energy: -181.390 flat angles C4'-P-C4' energy: -201.843 flat angles P-C4'-P energy: -141.455 tors. eta vs tors. theta energy: -264.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2857.037045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.037045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.037045 (E_RNA) where: Base-Base interactions energy: -1927.975 where: short stacking energy: -850.250 Base-Backbone interact. energy: -6.172 local terms energy: -922.890304 where: bonds (distance) C4'-P energy: -174.589 bonds (distance) P-C4' energy: -176.480 flat angles C4'-P-C4' energy: -194.759 flat angles P-C4'-P energy: -132.656 tors. eta vs tors. theta energy: -244.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2783.421183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.421183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.421183 (E_RNA) where: Base-Base interactions energy: -1904.334 where: short stacking energy: -864.959 Base-Backbone interact. energy: -2.653 local terms energy: -876.434092 where: bonds (distance) C4'-P energy: -151.294 bonds (distance) P-C4' energy: -167.861 flat angles C4'-P-C4' energy: -180.873 flat angles P-C4'-P energy: -128.891 tors. eta vs tors. theta energy: -247.515 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: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2683.331646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.331646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.331646 (E_RNA) where: Base-Base interactions energy: -1841.310 where: short stacking energy: -768.021 Base-Backbone interact. energy: 4.061 local terms energy: -846.082512 where: bonds (distance) C4'-P energy: -161.572 bonds (distance) P-C4' energy: -170.822 flat angles C4'-P-C4' energy: -183.240 flat angles P-C4'-P energy: -122.080 tors. eta vs tors. theta energy: -208.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2428.457944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.457944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.457944 (E_RNA) where: Base-Base interactions energy: -1651.014 where: short stacking energy: -744.589 Base-Backbone interact. energy: 0.308 local terms energy: -777.751548 where: bonds (distance) C4'-P energy: -144.838 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -156.077 flat angles P-C4'-P energy: -117.629 tors. eta vs tors. theta energy: -202.681 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: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2105.604495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.604495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.604495 (E_RNA) where: Base-Base interactions energy: -1387.911 where: short stacking energy: -588.644 Base-Backbone interact. energy: 11.274 local terms energy: -728.967407 where: bonds (distance) C4'-P energy: -163.281 bonds (distance) P-C4' energy: -165.495 flat angles C4'-P-C4' energy: -169.379 flat angles P-C4'-P energy: -102.999 tors. eta vs tors. theta energy: -127.813 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: 7, replica: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1925.323080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.323080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.323080 (E_RNA) where: Base-Base interactions energy: -1236.898 where: short stacking energy: -594.687 Base-Backbone interact. energy: -3.534 local terms energy: -684.891681 where: bonds (distance) C4'-P energy: -143.506 bonds (distance) P-C4' energy: -138.266 flat angles C4'-P-C4' energy: -165.783 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -136.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1422.137294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.137294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.137294 (E_RNA) where: Base-Base interactions energy: -847.519 where: short stacking energy: -429.236 Base-Backbone interact. energy: 5.718 local terms energy: -580.336412 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -151.800 flat angles C4'-P-C4' energy: -147.552 flat angles P-C4'-P energy: -70.506 tors. eta vs tors. theta energy: -73.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1225.140228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.140228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.140228 (E_RNA) where: Base-Base interactions energy: -696.346 where: short stacking energy: -369.293 Base-Backbone interact. energy: -2.840 local terms energy: -525.954121 where: bonds (distance) C4'-P energy: -129.794 bonds (distance) P-C4' energy: -124.863 flat angles C4'-P-C4' energy: -150.389 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -50.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -869.089070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.089070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.089070 (E_RNA) where: Base-Base interactions energy: -388.569 where: short stacking energy: -238.329 Base-Backbone interact. energy: 9.949 local terms energy: -490.469316 where: bonds (distance) C4'-P energy: -131.412 bonds (distance) P-C4' energy: -141.342 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3093.096888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.096888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.096888 (E_RNA) where: Base-Base interactions energy: -2117.154 where: short stacking energy: -987.185 Base-Backbone interact. energy: -2.273 local terms energy: -973.669675 where: bonds (distance) C4'-P energy: -180.665 bonds (distance) P-C4' energy: -189.275 flat angles C4'-P-C4' energy: -208.118 flat angles P-C4'-P energy: -123.775 tors. eta vs tors. theta energy: -271.837 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: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2834.468002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.468002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.468002 (E_RNA) where: Base-Base interactions energy: -1916.845 where: short stacking energy: -860.155 Base-Backbone interact. energy: -1.020 local terms energy: -916.602233 where: bonds (distance) C4'-P energy: -168.694 bonds (distance) P-C4' energy: -183.254 flat angles C4'-P-C4' energy: -202.434 flat angles P-C4'-P energy: -128.453 tors. eta vs tors. theta energy: -233.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2808.883547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.883547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.883547 (E_RNA) where: Base-Base interactions energy: -1911.749 where: short stacking energy: -861.274 Base-Backbone interact. energy: -2.742 local terms energy: -894.392074 where: bonds (distance) C4'-P energy: -163.424 bonds (distance) P-C4' energy: -184.288 flat angles C4'-P-C4' energy: -181.095 flat angles P-C4'-P energy: -129.905 tors. eta vs tors. theta energy: -235.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2660.598410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.598410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.598410 (E_RNA) where: Base-Base interactions energy: -1813.679 where: short stacking energy: -785.883 Base-Backbone interact. energy: -2.971 local terms energy: -843.948017 where: bonds (distance) C4'-P energy: -170.310 bonds (distance) P-C4' energy: -161.737 flat angles C4'-P-C4' energy: -181.269 flat angles P-C4'-P energy: -117.760 tors. eta vs tors. theta energy: -212.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2406.179788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.179788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.179788 (E_RNA) where: Base-Base interactions energy: -1661.519 where: short stacking energy: -740.673 Base-Backbone interact. energy: -2.152 local terms energy: -742.508940 where: bonds (distance) C4'-P energy: -153.433 bonds (distance) P-C4' energy: -143.075 flat angles C4'-P-C4' energy: -174.094 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -182.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2069.891383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.891383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.891383 (E_RNA) where: Base-Base interactions energy: -1368.173 where: short stacking energy: -614.974 Base-Backbone interact. energy: 1.473 local terms energy: -703.191179 where: bonds (distance) C4'-P energy: -156.165 bonds (distance) P-C4' energy: -167.855 flat angles C4'-P-C4' energy: -163.988 flat angles P-C4'-P energy: -88.351 tors. eta vs tors. theta energy: -126.832 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: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1867.134852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.134852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.134852 (E_RNA) where: Base-Base interactions energy: -1175.368 where: short stacking energy: -558.322 Base-Backbone interact. energy: -3.188 local terms energy: -688.578788 where: bonds (distance) C4'-P energy: -157.489 bonds (distance) P-C4' energy: -160.194 flat angles C4'-P-C4' energy: -144.038 flat angles P-C4'-P energy: -98.829 tors. eta vs tors. theta energy: -128.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1516.837541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.837541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.837541 (E_RNA) where: Base-Base interactions energy: -870.026 where: short stacking energy: -417.209 Base-Backbone interact. energy: 4.500 local terms energy: -651.311031 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -155.946 flat angles C4'-P-C4' energy: -183.749 flat angles P-C4'-P energy: -91.225 tors. eta vs tors. theta energy: -73.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1211.965285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.965285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.965285 (E_RNA) where: Base-Base interactions energy: -670.899 where: short stacking energy: -335.042 Base-Backbone interact. energy: 0.756 local terms energy: -541.822941 where: bonds (distance) C4'-P energy: -150.590 bonds (distance) P-C4' energy: -137.957 flat angles C4'-P-C4' energy: -124.698 flat angles P-C4'-P energy: -98.099 tors. eta vs tors. theta energy: -30.479 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: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -931.395150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.395150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.395150 (E_RNA) where: Base-Base interactions energy: -452.740 where: short stacking energy: -244.729 Base-Backbone interact. energy: -0.628 local terms energy: -478.026829 where: bonds (distance) C4'-P energy: -130.056 bonds (distance) P-C4' energy: -165.659 flat angles C4'-P-C4' energy: -115.705 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: 19.528 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: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3079.584262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.584262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.584262 (E_RNA) where: Base-Base interactions energy: -2105.989 where: short stacking energy: -956.739 Base-Backbone interact. energy: -2.279 local terms energy: -971.316413 where: bonds (distance) C4'-P energy: -169.417 bonds (distance) P-C4' energy: -172.359 flat angles C4'-P-C4' energy: -208.645 flat angles P-C4'-P energy: -148.708 tors. eta vs tors. theta energy: -272.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2888.940880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.940880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.940880 (E_RNA) where: Base-Base interactions energy: -1977.766 where: short stacking energy: -895.055 Base-Backbone interact. energy: -1.012 local terms energy: -910.162213 where: bonds (distance) C4'-P energy: -167.826 bonds (distance) P-C4' energy: -175.193 flat angles C4'-P-C4' energy: -192.829 flat angles P-C4'-P energy: -132.190 tors. eta vs tors. theta energy: -242.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2754.725643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.725643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.725643 (E_RNA) where: Base-Base interactions energy: -1878.224 where: short stacking energy: -845.224 Base-Backbone interact. energy: -2.299 local terms energy: -874.202483 where: bonds (distance) C4'-P energy: -163.043 bonds (distance) P-C4' energy: -172.495 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -127.203 tors. eta vs tors. theta energy: -222.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2608.514361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.514361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.514361 (E_RNA) where: Base-Base interactions energy: -1791.036 where: short stacking energy: -738.029 Base-Backbone interact. energy: -0.104 local terms energy: -817.374350 where: bonds (distance) C4'-P energy: -175.107 bonds (distance) P-C4' energy: -158.845 flat angles C4'-P-C4' energy: -171.588 flat angles P-C4'-P energy: -120.406 tors. eta vs tors. theta energy: -191.428 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: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2403.657584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.657584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.657584 (E_RNA) where: Base-Base interactions energy: -1635.312 where: short stacking energy: -727.217 Base-Backbone interact. energy: -1.589 local terms energy: -766.756226 where: bonds (distance) C4'-P energy: -136.167 bonds (distance) P-C4' energy: -168.846 flat angles C4'-P-C4' energy: -175.273 flat angles P-C4'-P energy: -108.797 tors. eta vs tors. theta energy: -177.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2163.770118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.770118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.770118 (E_RNA) where: Base-Base interactions energy: -1453.890 where: short stacking energy: -631.709 Base-Backbone interact. energy: 0.669 local terms energy: -710.549140 where: bonds (distance) C4'-P energy: -148.562 bonds (distance) P-C4' energy: -144.212 flat angles C4'-P-C4' energy: -169.255 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -159.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1864.769512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.769512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.769512 (E_RNA) where: Base-Base interactions energy: -1181.796 where: short stacking energy: -560.786 Base-Backbone interact. energy: -0.500 local terms energy: -682.473193 where: bonds (distance) C4'-P energy: -141.829 bonds (distance) P-C4' energy: -153.162 flat angles C4'-P-C4' energy: -170.433 flat angles P-C4'-P energy: -104.647 tors. eta vs tors. theta energy: -112.403 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: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1524.304553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.304553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.304553 (E_RNA) where: Base-Base interactions energy: -892.072 where: short stacking energy: -439.332 Base-Backbone interact. energy: -3.774 local terms energy: -628.459292 where: bonds (distance) C4'-P energy: -147.536 bonds (distance) P-C4' energy: -154.549 flat angles C4'-P-C4' energy: -156.246 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: -88.071 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: 200 Temperature: 1.300000 Total energy: -1157.359429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.359429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.359429 (E_RNA) where: Base-Base interactions energy: -649.692 where: short stacking energy: -346.988 Base-Backbone interact. energy: -0.955 local terms energy: -506.712658 where: bonds (distance) C4'-P energy: -137.784 bonds (distance) P-C4' energy: -156.002 flat angles C4'-P-C4' energy: -146.980 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -7.769 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: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -959.033528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.033528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.033528 (E_RNA) where: Base-Base interactions energy: -471.686 where: short stacking energy: -252.112 Base-Backbone interact. energy: 2.652 local terms energy: -489.999498 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -147.832 flat angles C4'-P-C4' energy: -134.109 flat angles P-C4'-P energy: -83.259 tors. eta vs tors. theta energy: -0.452 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: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3055.934873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.934873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.934873 (E_RNA) where: Base-Base interactions energy: -2098.862 where: short stacking energy: -968.552 Base-Backbone interact. energy: -1.748 local terms energy: -955.324933 where: bonds (distance) C4'-P energy: -175.699 bonds (distance) P-C4' energy: -168.948 flat angles C4'-P-C4' energy: -198.931 flat angles P-C4'-P energy: -137.627 tors. eta vs tors. theta energy: -274.119 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: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2918.389562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.389562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.389562 (E_RNA) where: Base-Base interactions energy: -2021.221 where: short stacking energy: -918.641 Base-Backbone interact. energy: -1.514 local terms energy: -895.655254 where: bonds (distance) C4'-P energy: -166.981 bonds (distance) P-C4' energy: -153.594 flat angles C4'-P-C4' energy: -196.444 flat angles P-C4'-P energy: -119.154 tors. eta vs tors. theta energy: -259.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2833.420768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.420768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.420768 (E_RNA) where: Base-Base interactions energy: -1894.323 where: short stacking energy: -865.909 Base-Backbone interact. energy: -1.249 local terms energy: -937.849214 where: bonds (distance) C4'-P energy: -176.844 bonds (distance) P-C4' energy: -180.041 flat angles C4'-P-C4' energy: -199.430 flat angles P-C4'-P energy: -132.564 tors. eta vs tors. theta energy: -248.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2625.999457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.999457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.999457 (E_RNA) where: Base-Base interactions energy: -1822.913 where: short stacking energy: -756.538 Base-Backbone interact. energy: -1.044 local terms energy: -802.042914 where: bonds (distance) C4'-P energy: -158.340 bonds (distance) P-C4' energy: -168.486 flat angles C4'-P-C4' energy: -171.822 flat angles P-C4'-P energy: -103.736 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: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2416.227281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.227281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.227281 (E_RNA) where: Base-Base interactions energy: -1594.599 where: short stacking energy: -672.242 Base-Backbone interact. energy: 6.803 local terms energy: -828.430382 where: bonds (distance) C4'-P energy: -174.409 bonds (distance) P-C4' energy: -175.661 flat angles C4'-P-C4' energy: -183.827 flat angles P-C4'-P energy: -124.006 tors. eta vs tors. theta energy: -170.528 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: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2150.878971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.878971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.878971 (E_RNA) where: Base-Base interactions energy: -1463.038 where: short stacking energy: -634.019 Base-Backbone interact. energy: -2.524 local terms energy: -685.317124 where: bonds (distance) C4'-P energy: -128.052 bonds (distance) P-C4' energy: -145.750 flat angles C4'-P-C4' energy: -176.835 flat angles P-C4'-P energy: -98.054 tors. eta vs tors. theta energy: -136.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1849.625165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.625165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.625165 (E_RNA) where: Base-Base interactions energy: -1160.926 where: short stacking energy: -550.022 Base-Backbone interact. energy: 0.245 local terms energy: -688.944525 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -167.457 flat angles C4'-P-C4' energy: -171.419 flat angles P-C4'-P energy: -90.889 tors. eta vs tors. theta energy: -107.783 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: 201 Temperature: 1.250000 Total energy: -1422.412628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.412628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.412628 (E_RNA) where: Base-Base interactions energy: -843.364 where: short stacking energy: -397.709 Base-Backbone interact. energy: -4.087 local terms energy: -574.961647 where: bonds (distance) C4'-P energy: -130.552 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -142.939 flat angles P-C4'-P energy: -89.522 tors. eta vs tors. theta energy: -68.517 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: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1168.696024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.696024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.696024 (E_RNA) where: Base-Base interactions energy: -630.417 where: short stacking energy: -346.120 Base-Backbone interact. energy: 0.613 local terms energy: -538.891874 where: bonds (distance) C4'-P energy: -157.546 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -123.019 flat angles P-C4'-P energy: -84.775 tors. eta vs tors. theta energy: -26.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -850.224563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.224563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.224563 (E_RNA) where: Base-Base interactions energy: -390.706 where: short stacking energy: -231.718 Base-Backbone interact. energy: -0.761 local terms energy: -458.758335 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -157.411 flat angles C4'-P-C4' energy: -118.417 flat angles P-C4'-P energy: -73.408 tors. eta vs tors. theta energy: 22.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3050.585720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.585720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.585720 (E_RNA) where: Base-Base interactions energy: -2076.437 where: short stacking energy: -944.871 Base-Backbone interact. energy: -2.046 local terms energy: -972.102028 where: bonds (distance) C4'-P energy: -166.048 bonds (distance) P-C4' energy: -193.332 flat angles C4'-P-C4' energy: -210.699 flat angles P-C4'-P energy: -143.140 tors. eta vs tors. theta energy: -258.883 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: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2966.721059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.721059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.721059 (E_RNA) where: Base-Base interactions energy: -2031.096 where: short stacking energy: -879.215 Base-Backbone interact. energy: 1.637 local terms energy: -937.262596 where: bonds (distance) C4'-P energy: -174.970 bonds (distance) P-C4' energy: -165.196 flat angles C4'-P-C4' energy: -186.298 flat angles P-C4'-P energy: -159.834 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: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2866.015635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.015635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.015635 (E_RNA) where: Base-Base interactions energy: -1949.436 where: short stacking energy: -873.896 Base-Backbone interact. energy: -3.280 local terms energy: -913.300226 where: bonds (distance) C4'-P energy: -169.295 bonds (distance) P-C4' energy: -169.138 flat angles C4'-P-C4' energy: -198.229 flat angles P-C4'-P energy: -135.335 tors. eta vs tors. theta energy: -241.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2613.404341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.404341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.404341 (E_RNA) where: Base-Base interactions energy: -1811.930 where: short stacking energy: -740.362 Base-Backbone interact. energy: -1.163 local terms energy: -800.312036 where: bonds (distance) C4'-P energy: -164.366 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -172.161 flat angles P-C4'-P energy: -126.972 tors. eta vs tors. theta energy: -183.296 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: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2464.120398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.120398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.120398 (E_RNA) where: Base-Base interactions energy: -1659.770 where: short stacking energy: -713.466 Base-Backbone interact. energy: -5.207 local terms energy: -799.143525 where: bonds (distance) C4'-P energy: -156.457 bonds (distance) P-C4' energy: -166.577 flat angles C4'-P-C4' energy: -174.082 flat angles P-C4'-P energy: -110.668 tors. eta vs tors. theta energy: -191.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2216.285303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.285303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.285303 (E_RNA) where: Base-Base interactions energy: -1518.518 where: short stacking energy: -651.652 Base-Backbone interact. energy: 7.691 local terms energy: -705.458885 where: bonds (distance) C4'-P energy: -151.859 bonds (distance) P-C4' energy: -166.115 flat angles C4'-P-C4' energy: -141.721 flat angles P-C4'-P energy: -99.199 tors. eta vs tors. theta energy: -146.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1896.256942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.256942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.256942 (E_RNA) where: Base-Base interactions energy: -1213.297 where: short stacking energy: -591.899 Base-Backbone interact. energy: -2.069 local terms energy: -680.891050 where: bonds (distance) C4'-P energy: -143.830 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -82.026 tors. eta vs tors. theta energy: -132.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1439.994599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.994599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.994599 (E_RNA) where: Base-Base interactions energy: -851.708 where: short stacking energy: -425.219 Base-Backbone interact. energy: 5.824 local terms energy: -594.110365 where: bonds (distance) C4'-P energy: -154.212 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -155.497 flat angles P-C4'-P energy: -84.357 tors. eta vs tors. theta energy: -57.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1109.596949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.596949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.596949 (E_RNA) where: Base-Base interactions energy: -582.654 where: short stacking energy: -332.083 Base-Backbone interact. energy: 0.218 local terms energy: -527.161786 where: bonds (distance) C4'-P energy: -151.602 bonds (distance) P-C4' energy: -147.035 flat angles C4'-P-C4' energy: -141.491 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -14.769 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: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -920.388908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.388908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.388908 (E_RNA) where: Base-Base interactions energy: -414.708 where: short stacking energy: -275.528 Base-Backbone interact. energy: 2.973 local terms energy: -508.654772 where: bonds (distance) C4'-P energy: -142.638 bonds (distance) P-C4' energy: -156.507 flat angles C4'-P-C4' energy: -126.250 flat angles P-C4'-P energy: -79.174 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3033.720944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.720944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.720944 (E_RNA) where: Base-Base interactions energy: -2057.827 where: short stacking energy: -950.520 Base-Backbone interact. energy: -2.188 local terms energy: -973.706430 where: bonds (distance) C4'-P energy: -169.357 bonds (distance) P-C4' energy: -188.919 flat angles C4'-P-C4' energy: -210.970 flat angles P-C4'-P energy: -127.979 tors. eta vs tors. theta energy: -276.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2965.770099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.770099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.770099 (E_RNA) where: Base-Base interactions energy: -1997.011 where: short stacking energy: -893.158 Base-Backbone interact. energy: -4.825 local terms energy: -963.933960 where: bonds (distance) C4'-P energy: -191.652 bonds (distance) P-C4' energy: -171.395 flat angles C4'-P-C4' energy: -203.863 flat angles P-C4'-P energy: -141.977 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: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2846.646804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.646804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.646804 (E_RNA) where: Base-Base interactions energy: -1970.264 where: short stacking energy: -880.292 Base-Backbone interact. energy: -2.200 local terms energy: -874.182454 where: bonds (distance) C4'-P energy: -173.655 bonds (distance) P-C4' energy: -155.350 flat angles C4'-P-C4' energy: -169.029 flat angles P-C4'-P energy: -123.690 tors. eta vs tors. theta energy: -252.458 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: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2569.248581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.248581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.248581 (E_RNA) where: Base-Base interactions energy: -1787.105 where: short stacking energy: -767.373 Base-Backbone interact. energy: 0.991 local terms energy: -783.134456 where: bonds (distance) C4'-P energy: -163.774 bonds (distance) P-C4' energy: -164.668 flat angles C4'-P-C4' energy: -169.412 flat angles P-C4'-P energy: -106.463 tors. eta vs tors. theta energy: -178.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2426.288591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.288591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.288591 (E_RNA) where: Base-Base interactions energy: -1632.965 where: short stacking energy: -735.293 Base-Backbone interact. energy: -3.440 local terms energy: -789.883885 where: bonds (distance) C4'-P energy: -157.607 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -185.726 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -182.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2157.069687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.069687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.069687 (E_RNA) where: Base-Base interactions energy: -1449.085 where: short stacking energy: -623.386 Base-Backbone interact. energy: 5.765 local terms energy: -713.749945 where: bonds (distance) C4'-P energy: -166.473 bonds (distance) P-C4' energy: -154.021 flat angles C4'-P-C4' energy: -153.646 flat angles P-C4'-P energy: -109.961 tors. eta vs tors. theta energy: -129.649 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: 7, replica: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1865.078999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.078999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.078999 (E_RNA) where: Base-Base interactions energy: -1175.244 where: short stacking energy: -557.825 Base-Backbone interact. energy: -3.482 local terms energy: -686.353377 where: bonds (distance) C4'-P energy: -152.939 bonds (distance) P-C4' energy: -154.786 flat angles C4'-P-C4' energy: -165.313 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -137.704 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1445.159769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.159769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.159769 (E_RNA) where: Base-Base interactions energy: -863.323 where: short stacking energy: -425.867 Base-Backbone interact. energy: 1.404 local terms energy: -583.241437 where: bonds (distance) C4'-P energy: -136.405 bonds (distance) P-C4' energy: -154.766 flat angles C4'-P-C4' energy: -150.415 flat angles P-C4'-P energy: -79.531 tors. eta vs tors. theta energy: -62.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1139.437157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.437157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.437157 (E_RNA) where: Base-Base interactions energy: -596.211 where: short stacking energy: -351.341 Base-Backbone interact. energy: -2.709 local terms energy: -540.516693 where: bonds (distance) C4'-P energy: -139.789 bonds (distance) P-C4' energy: -148.090 flat angles C4'-P-C4' energy: -124.060 flat angles P-C4'-P energy: -100.420 tors. eta vs tors. theta energy: -28.157 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: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -844.129645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.129645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.129645 (E_RNA) where: Base-Base interactions energy: -366.169 where: short stacking energy: -227.830 Base-Backbone interact. energy: 2.649 local terms energy: -480.609693 where: bonds (distance) C4'-P energy: -160.605 bonds (distance) P-C4' energy: -147.498 flat angles C4'-P-C4' energy: -123.253 flat angles P-C4'-P energy: -87.078 tors. eta vs tors. theta energy: 37.824 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: 204 Temperature: 0.900000 Total energy: -3032.544784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.544784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.544784 (E_RNA) where: Base-Base interactions energy: -2070.942 where: short stacking energy: -957.239 Base-Backbone interact. energy: -1.155 local terms energy: -960.448370 where: bonds (distance) C4'-P energy: -163.269 bonds (distance) P-C4' energy: -174.003 flat angles C4'-P-C4' energy: -200.862 flat angles P-C4'-P energy: -142.558 tors. eta vs tors. theta energy: -279.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2946.614987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.614987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.614987 (E_RNA) where: Base-Base interactions energy: -2010.941 where: short stacking energy: -883.021 Base-Backbone interact. energy: -4.972 local terms energy: -930.701941 where: bonds (distance) C4'-P energy: -181.125 bonds (distance) P-C4' energy: -165.898 flat angles C4'-P-C4' energy: -206.769 flat angles P-C4'-P energy: -129.311 tors. eta vs tors. theta energy: -247.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2885.325157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.325157 (E_RNA) where: Base-Base interactions energy: -1969.326 where: short stacking energy: -899.338 Base-Backbone interact. energy: -0.379 local terms energy: -915.620520 where: bonds (distance) C4'-P energy: -150.796 bonds (distance) P-C4' energy: -177.193 flat angles C4'-P-C4' energy: -206.492 flat angles P-C4'-P energy: -131.909 tors. eta vs tors. theta energy: -249.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2625.382387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.382387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.382387 (E_RNA) where: Base-Base interactions energy: -1788.918 where: short stacking energy: -731.770 Base-Backbone interact. energy: -6.208 local terms energy: -830.256803 where: bonds (distance) C4'-P energy: -171.599 bonds (distance) P-C4' energy: -185.430 flat angles C4'-P-C4' energy: -176.300 flat angles P-C4'-P energy: -110.729 tors. eta vs tors. theta energy: -186.198 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: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2390.126755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.126755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.126755 (E_RNA) where: Base-Base interactions energy: -1594.906 where: short stacking energy: -697.470 Base-Backbone interact. energy: -1.755 local terms energy: -793.465340 where: bonds (distance) C4'-P energy: -175.043 bonds (distance) P-C4' energy: -160.300 flat angles C4'-P-C4' energy: -174.038 flat angles P-C4'-P energy: -115.738 tors. eta vs tors. theta energy: -168.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2198.174472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.174472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.174472 (E_RNA) where: Base-Base interactions energy: -1461.734 where: short stacking energy: -648.970 Base-Backbone interact. energy: -1.766 local terms energy: -734.674512 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -156.582 flat angles C4'-P-C4' energy: -171.774 flat angles P-C4'-P energy: -115.390 tors. eta vs tors. theta energy: -163.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1819.258756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.258756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.258756 (E_RNA) where: Base-Base interactions energy: -1134.100 where: short stacking energy: -553.958 Base-Backbone interact. energy: 8.905 local terms energy: -694.063648 where: bonds (distance) C4'-P energy: -149.701 bonds (distance) P-C4' energy: -163.133 flat angles C4'-P-C4' energy: -166.915 flat angles P-C4'-P energy: -85.894 tors. eta vs tors. theta energy: -128.420 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: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1479.926680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.926680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.926680 (E_RNA) where: Base-Base interactions energy: -883.636 where: short stacking energy: -414.347 Base-Backbone interact. energy: -1.969 local terms energy: -594.321945 where: bonds (distance) C4'-P energy: -151.601 bonds (distance) P-C4' energy: -132.712 flat angles C4'-P-C4' energy: -153.689 flat angles P-C4'-P energy: -104.049 tors. eta vs tors. theta energy: -52.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1164.787691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.787691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.787691 (E_RNA) where: Base-Base interactions energy: -629.853 where: short stacking energy: -317.860 Base-Backbone interact. energy: -3.298 local terms energy: -531.636667 where: bonds (distance) C4'-P energy: -134.648 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -132.360 flat angles P-C4'-P energy: -97.238 tors. eta vs tors. theta energy: -18.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -845.357166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.357166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.357166 (E_RNA) where: Base-Base interactions energy: -378.425 where: short stacking energy: -221.381 Base-Backbone interact. energy: 2.818 local terms energy: -469.749479 where: bonds (distance) C4'-P energy: -137.718 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -107.136 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: 24.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3033.009191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.009191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.009191 (E_RNA) where: Base-Base interactions energy: -2065.621 where: short stacking energy: -965.890 Base-Backbone interact. energy: -2.267 local terms energy: -965.121295 where: bonds (distance) C4'-P energy: -154.020 bonds (distance) P-C4' energy: -189.488 flat angles C4'-P-C4' energy: -198.750 flat angles P-C4'-P energy: -156.029 tors. eta vs tors. theta energy: -266.834 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: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2900.881517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.881517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.881517 (E_RNA) where: Base-Base interactions energy: -1996.756 where: short stacking energy: -864.357 Base-Backbone interact. energy: 0.384 local terms energy: -904.509815 where: bonds (distance) C4'-P energy: -161.029 bonds (distance) P-C4' energy: -187.740 flat angles C4'-P-C4' energy: -181.664 flat angles P-C4'-P energy: -131.534 tors. eta vs tors. theta energy: -242.543 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: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2903.955729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.955729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.955729 (E_RNA) where: Base-Base interactions energy: -1985.338 where: short stacking energy: -897.103 Base-Backbone interact. energy: 0.135 local terms energy: -918.752677 where: bonds (distance) C4'-P energy: -161.927 bonds (distance) P-C4' energy: -172.417 flat angles C4'-P-C4' energy: -194.213 flat angles P-C4'-P energy: -141.184 tors. eta vs tors. theta energy: -249.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2583.292725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.292725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.292725 (E_RNA) where: Base-Base interactions energy: -1785.426 where: short stacking energy: -724.348 Base-Backbone interact. energy: 1.075 local terms energy: -798.941551 where: bonds (distance) C4'-P energy: -162.262 bonds (distance) P-C4' energy: -163.569 flat angles C4'-P-C4' energy: -180.575 flat angles P-C4'-P energy: -117.701 tors. eta vs tors. theta energy: -174.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2376.082550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.082550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.082550 (E_RNA) where: Base-Base interactions energy: -1613.497 where: short stacking energy: -741.497 Base-Backbone interact. energy: 1.556 local terms energy: -764.141911 where: bonds (distance) C4'-P energy: -151.196 bonds (distance) P-C4' energy: -143.653 flat angles C4'-P-C4' energy: -179.430 flat angles P-C4'-P energy: -109.110 tors. eta vs tors. theta energy: -180.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2218.742726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.742726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.742726 (E_RNA) where: Base-Base interactions energy: -1494.177 where: short stacking energy: -634.848 Base-Backbone interact. energy: -2.566 local terms energy: -721.999070 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -162.145 flat angles C4'-P-C4' energy: -155.788 flat angles P-C4'-P energy: -110.595 tors. eta vs tors. theta energy: -148.477 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: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1875.435294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.435294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.435294 (E_RNA) where: Base-Base interactions energy: -1181.222 where: short stacking energy: -545.642 Base-Backbone interact. energy: -4.190 local terms energy: -690.023814 where: bonds (distance) C4'-P energy: -154.832 bonds (distance) P-C4' energy: -169.548 flat angles C4'-P-C4' energy: -165.432 flat angles P-C4'-P energy: -93.130 tors. eta vs tors. theta energy: -107.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1526.717334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.717334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.717334 (E_RNA) where: Base-Base interactions energy: -920.443 where: short stacking energy: -435.581 Base-Backbone interact. energy: 2.413 local terms energy: -608.687391 where: bonds (distance) C4'-P energy: -154.626 bonds (distance) P-C4' energy: -155.847 flat angles C4'-P-C4' energy: -138.488 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -60.760 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: 205 Temperature: 1.300000 Total energy: -1125.212178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.212178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.212178 (E_RNA) where: Base-Base interactions energy: -599.952 where: short stacking energy: -324.315 Base-Backbone interact. energy: -1.984 local terms energy: -523.276066 where: bonds (distance) C4'-P energy: -133.189 bonds (distance) P-C4' energy: -150.203 flat angles C4'-P-C4' energy: -151.527 flat angles P-C4'-P energy: -64.750 tors. eta vs tors. theta energy: -23.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -836.758330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.758330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.758330 (E_RNA) where: Base-Base interactions energy: -393.292 where: short stacking energy: -223.061 Base-Backbone interact. energy: 6.386 local terms energy: -449.852697 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -125.393 flat angles C4'-P-C4' energy: -134.609 flat angles P-C4'-P energy: -77.226 tors. eta vs tors. theta energy: 19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3055.776856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.776856 (E_RNA) where: Base-Base interactions energy: -2052.030 where: short stacking energy: -955.706 Base-Backbone interact. energy: 1.227 local terms energy: -1004.972988 where: bonds (distance) C4'-P energy: -185.653 bonds (distance) P-C4' energy: -181.690 flat angles C4'-P-C4' energy: -212.545 flat angles P-C4'-P energy: -145.795 tors. eta vs tors. theta energy: -279.289 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: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2962.435793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.435793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.435793 (E_RNA) where: Base-Base interactions energy: -2021.365 where: short stacking energy: -891.319 Base-Backbone interact. energy: -6.012 local terms energy: -935.058475 where: bonds (distance) C4'-P energy: -167.696 bonds (distance) P-C4' energy: -184.364 flat angles C4'-P-C4' energy: -196.045 flat angles P-C4'-P energy: -122.596 tors. eta vs tors. theta energy: -264.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2887.539079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.539079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.539079 (E_RNA) where: Base-Base interactions energy: -1993.440 where: short stacking energy: -893.731 Base-Backbone interact. energy: 0.155 local terms energy: -894.253644 where: bonds (distance) C4'-P energy: -159.945 bonds (distance) P-C4' energy: -169.226 flat angles C4'-P-C4' energy: -190.545 flat angles P-C4'-P energy: -117.033 tors. eta vs tors. theta energy: -257.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2587.119731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.119731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.119731 (E_RNA) where: Base-Base interactions energy: -1785.506 where: short stacking energy: -709.064 Base-Backbone interact. energy: 3.336 local terms energy: -804.949540 where: bonds (distance) C4'-P energy: -171.393 bonds (distance) P-C4' energy: -166.395 flat angles C4'-P-C4' energy: -173.414 flat angles P-C4'-P energy: -111.322 tors. eta vs tors. theta energy: -182.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2431.011023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.011023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.011023 (E_RNA) where: Base-Base interactions energy: -1630.666 where: short stacking energy: -716.234 Base-Backbone interact. energy: 1.036 local terms energy: -801.381053 where: bonds (distance) C4'-P energy: -142.230 bonds (distance) P-C4' energy: -165.935 flat angles C4'-P-C4' energy: -186.799 flat angles P-C4'-P energy: -111.589 tors. eta vs tors. theta energy: -194.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2211.110004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.110004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.110004 (E_RNA) where: Base-Base interactions energy: -1533.667 where: short stacking energy: -641.077 Base-Backbone interact. energy: 1.939 local terms energy: -679.381865 where: bonds (distance) C4'-P energy: -124.567 bonds (distance) P-C4' energy: -155.951 flat angles C4'-P-C4' energy: -167.086 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -130.256 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: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1879.732602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.732602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.732602 (E_RNA) where: Base-Base interactions energy: -1205.917 where: short stacking energy: -534.920 Base-Backbone interact. energy: 0.683 local terms energy: -674.498574 where: bonds (distance) C4'-P energy: -142.154 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -174.699 flat angles P-C4'-P energy: -82.900 tors. eta vs tors. theta energy: -119.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1491.905206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.905206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.905206 (E_RNA) where: Base-Base interactions energy: -913.297 where: short stacking energy: -441.600 Base-Backbone interact. energy: -0.837 local terms energy: -577.771482 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -148.533 flat angles C4'-P-C4' energy: -149.596 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -57.438 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: 206 Temperature: 1.300000 Total energy: -1207.586464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.586464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.586464 (E_RNA) where: Base-Base interactions energy: -608.859 where: short stacking energy: -349.987 Base-Backbone interact. energy: -0.749 local terms energy: -597.978062 where: bonds (distance) C4'-P energy: -146.899 bonds (distance) P-C4' energy: -151.555 flat angles C4'-P-C4' energy: -158.527 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -43.067 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: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -917.178217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.178217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.178217 (E_RNA) where: Base-Base interactions energy: -423.774 where: short stacking energy: -265.958 Base-Backbone interact. energy: 1.239 local terms energy: -494.642853 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -128.747 flat angles P-C4'-P energy: -87.327 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3060.227017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.227017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.227017 (E_RNA) where: Base-Base interactions energy: -2092.048 where: short stacking energy: -950.233 Base-Backbone interact. energy: -2.925 local terms energy: -965.253595 where: bonds (distance) C4'-P energy: -167.195 bonds (distance) P-C4' energy: -179.897 flat angles C4'-P-C4' energy: -208.458 flat angles P-C4'-P energy: -139.815 tors. eta vs tors. theta energy: -269.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2953.786487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.786487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.786487 (E_RNA) where: Base-Base interactions energy: -2012.156 where: short stacking energy: -846.935 Base-Backbone interact. energy: -0.271 local terms energy: -941.360246 where: bonds (distance) C4'-P energy: -180.872 bonds (distance) P-C4' energy: -166.059 flat angles C4'-P-C4' energy: -207.203 flat angles P-C4'-P energy: -140.798 tors. eta vs tors. theta energy: -246.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2808.047581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.047581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.047581 (E_RNA) where: Base-Base interactions energy: -1894.116 where: short stacking energy: -864.554 Base-Backbone interact. energy: -1.816 local terms energy: -912.115971 where: bonds (distance) C4'-P energy: -167.914 bonds (distance) P-C4' energy: -172.266 flat angles C4'-P-C4' energy: -194.388 flat angles P-C4'-P energy: -138.138 tors. eta vs tors. theta energy: -239.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2648.921518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.921518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.921518 (E_RNA) where: Base-Base interactions energy: -1856.388 where: short stacking energy: -776.412 Base-Backbone interact. energy: -1.828 local terms energy: -790.705137 where: bonds (distance) C4'-P energy: -146.773 bonds (distance) P-C4' energy: -152.155 flat angles C4'-P-C4' energy: -188.449 flat angles P-C4'-P energy: -108.289 tors. eta vs tors. theta energy: -195.040 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: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2466.955293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.955293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.955293 (E_RNA) where: Base-Base interactions energy: -1698.486 where: short stacking energy: -784.747 Base-Backbone interact. energy: 1.150 local terms energy: -769.619138 where: bonds (distance) C4'-P energy: -135.909 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -186.506 flat angles P-C4'-P energy: -109.415 tors. eta vs tors. theta energy: -205.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2234.491215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.491215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.491215 (E_RNA) where: Base-Base interactions energy: -1525.988 where: short stacking energy: -621.412 Base-Backbone interact. energy: -3.672 local terms energy: -704.831032 where: bonds (distance) C4'-P energy: -167.920 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -153.578 flat angles P-C4'-P energy: -105.770 tors. eta vs tors. theta energy: -149.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1889.160555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.160555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.160555 (E_RNA) where: Base-Base interactions energy: -1206.693 where: short stacking energy: -558.067 Base-Backbone interact. energy: 3.031 local terms energy: -685.498562 where: bonds (distance) C4'-P energy: -149.493 bonds (distance) P-C4' energy: -148.114 flat angles C4'-P-C4' energy: -165.135 flat angles P-C4'-P energy: -88.667 tors. eta vs tors. theta energy: -134.089 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: 207 Temperature: 1.250000 Total energy: -1537.653004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.653004 (E_RNA) where: Base-Base interactions energy: -922.812 where: short stacking energy: -437.052 Base-Backbone interact. energy: 5.237 local terms energy: -620.077828 where: bonds (distance) C4'-P energy: -160.975 bonds (distance) P-C4' energy: -152.671 flat angles C4'-P-C4' energy: -156.503 flat angles P-C4'-P energy: -72.609 tors. eta vs tors. theta energy: -77.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1166.353107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.353107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.353107 (E_RNA) where: Base-Base interactions energy: -652.123 where: short stacking energy: -349.909 Base-Backbone interact. energy: -3.542 local terms energy: -510.688187 where: bonds (distance) C4'-P energy: -150.212 bonds (distance) P-C4' energy: -149.785 flat angles C4'-P-C4' energy: -118.812 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -39.138 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: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -872.058687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.058687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.058687 (E_RNA) where: Base-Base interactions energy: -384.619 where: short stacking energy: -235.326 Base-Backbone interact. energy: -1.622 local terms energy: -485.817265 where: bonds (distance) C4'-P energy: -149.340 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -140.230 flat angles P-C4'-P energy: -79.459 tors. eta vs tors. theta energy: 21.878 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: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3056.557865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.557865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.557865 (E_RNA) where: Base-Base interactions energy: -2072.215 where: short stacking energy: -936.417 Base-Backbone interact. energy: 0.471 local terms energy: -984.813694 where: bonds (distance) C4'-P energy: -195.174 bonds (distance) P-C4' energy: -177.259 flat angles C4'-P-C4' energy: -202.257 flat angles P-C4'-P energy: -141.964 tors. eta vs tors. theta energy: -268.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2958.665503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.665503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.665503 (E_RNA) where: Base-Base interactions energy: -2010.570 where: short stacking energy: -878.556 Base-Backbone interact. energy: -1.222 local terms energy: -946.873586 where: bonds (distance) C4'-P energy: -167.370 bonds (distance) P-C4' energy: -177.502 flat angles C4'-P-C4' energy: -210.717 flat angles P-C4'-P energy: -139.350 tors. eta vs tors. theta energy: -251.935 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: 208 Temperature: 1.000000 Total energy: -2792.634231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.634231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.634231 (E_RNA) where: Base-Base interactions energy: -1895.171 where: short stacking energy: -874.441 Base-Backbone interact. energy: -3.276 local terms energy: -894.186975 where: bonds (distance) C4'-P energy: -173.858 bonds (distance) P-C4' energy: -161.308 flat angles C4'-P-C4' energy: -179.234 flat angles P-C4'-P energy: -138.512 tors. eta vs tors. theta energy: -241.275 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: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2627.432507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.432507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.432507 (E_RNA) where: Base-Base interactions energy: -1799.698 where: short stacking energy: -732.907 Base-Backbone interact. energy: -1.214 local terms energy: -826.519737 where: bonds (distance) C4'-P energy: -159.505 bonds (distance) P-C4' energy: -170.308 flat angles C4'-P-C4' energy: -179.068 flat angles P-C4'-P energy: -115.050 tors. eta vs tors. theta energy: -202.589 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: 208 Temperature: 1.100000 Total energy: -2415.755624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.755624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.755624 (E_RNA) where: Base-Base interactions energy: -1598.925 where: short stacking energy: -708.919 Base-Backbone interact. energy: -2.656 local terms energy: -814.174566 where: bonds (distance) C4'-P energy: -167.374 bonds (distance) P-C4' energy: -159.411 flat angles C4'-P-C4' energy: -183.856 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -190.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2211.194858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.194858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.194858 (E_RNA) where: Base-Base interactions energy: -1474.167 where: short stacking energy: -638.785 Base-Backbone interact. energy: -2.877 local terms energy: -734.150979 where: bonds (distance) C4'-P energy: -131.910 bonds (distance) P-C4' energy: -162.219 flat angles C4'-P-C4' energy: -188.182 flat angles P-C4'-P energy: -94.415 tors. eta vs tors. theta energy: -157.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1921.772721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.772721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.772721 (E_RNA) where: Base-Base interactions energy: -1235.842 where: short stacking energy: -588.322 Base-Backbone interact. energy: 5.814 local terms energy: -691.744496 where: bonds (distance) C4'-P energy: -153.800 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -164.391 flat angles P-C4'-P energy: -95.025 tors. eta vs tors. theta energy: -130.862 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: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1497.131010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.131010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.131010 (E_RNA) where: Base-Base interactions energy: -895.773 where: short stacking energy: -418.599 Base-Backbone interact. energy: 1.031 local terms energy: -602.388897 where: bonds (distance) C4'-P energy: -143.359 bonds (distance) P-C4' energy: -174.463 flat angles C4'-P-C4' energy: -141.220 flat angles P-C4'-P energy: -98.549 tors. eta vs tors. theta energy: -44.798 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: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1203.984543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.984543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.984543 (E_RNA) where: Base-Base interactions energy: -685.104 where: short stacking energy: -362.581 Base-Backbone interact. energy: 6.950 local terms energy: -525.830583 where: bonds (distance) C4'-P energy: -136.522 bonds (distance) P-C4' energy: -150.006 flat angles C4'-P-C4' energy: -120.347 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: -44.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -839.222982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.222982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.222982 (E_RNA) where: Base-Base interactions energy: -389.524 where: short stacking energy: -235.412 Base-Backbone interact. energy: 5.578 local terms energy: -455.277424 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -150.467 flat angles C4'-P-C4' energy: -119.211 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: 23.331 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: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3017.445409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.445409 (E_RNA) where: Base-Base interactions energy: -2026.493 where: short stacking energy: -896.826 Base-Backbone interact. energy: -4.217 local terms energy: -986.736052 where: bonds (distance) C4'-P energy: -166.609 bonds (distance) P-C4' energy: -196.115 flat angles C4'-P-C4' energy: -211.865 flat angles P-C4'-P energy: -148.711 tors. eta vs tors. theta energy: -263.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2961.505058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.505058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.505058 (E_RNA) where: Base-Base interactions energy: -2027.671 where: short stacking energy: -894.542 Base-Backbone interact. energy: -3.198 local terms energy: -930.635648 where: bonds (distance) C4'-P energy: -180.819 bonds (distance) P-C4' energy: -176.233 flat angles C4'-P-C4' energy: -200.016 flat angles P-C4'-P energy: -121.936 tors. eta vs tors. theta energy: -251.631 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: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2812.738108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.738108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.738108 (E_RNA) where: Base-Base interactions energy: -1923.090 where: short stacking energy: -860.100 Base-Backbone interact. energy: -3.572 local terms energy: -886.075980 where: bonds (distance) C4'-P energy: -164.650 bonds (distance) P-C4' energy: -163.709 flat angles C4'-P-C4' energy: -186.368 flat angles P-C4'-P energy: -130.154 tors. eta vs tors. theta energy: -241.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2604.055207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.055207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.055207 (E_RNA) where: Base-Base interactions energy: -1778.611 where: short stacking energy: -756.324 Base-Backbone interact. energy: -2.408 local terms energy: -823.036253 where: bonds (distance) C4'-P energy: -165.250 bonds (distance) P-C4' energy: -175.636 flat angles C4'-P-C4' energy: -182.885 flat angles P-C4'-P energy: -116.349 tors. eta vs tors. theta energy: -182.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2534.863934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.863934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.863934 (E_RNA) where: Base-Base interactions energy: -1690.375 where: short stacking energy: -772.989 Base-Backbone interact. energy: -1.512 local terms energy: -842.976677 where: bonds (distance) C4'-P energy: -162.256 bonds (distance) P-C4' energy: -177.754 flat angles C4'-P-C4' energy: -184.369 flat angles P-C4'-P energy: -117.597 tors. eta vs tors. theta energy: -201.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2197.283764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.283764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.283764 (E_RNA) where: Base-Base interactions energy: -1451.971 where: short stacking energy: -626.970 Base-Backbone interact. energy: -5.125 local terms energy: -740.187244 where: bonds (distance) C4'-P energy: -151.598 bonds (distance) P-C4' energy: -154.754 flat angles C4'-P-C4' energy: -182.238 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -143.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1896.196193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.196193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.196193 (E_RNA) where: Base-Base interactions energy: -1177.113 where: short stacking energy: -548.350 Base-Backbone interact. energy: 2.218 local terms energy: -721.301030 where: bonds (distance) C4'-P energy: -155.801 bonds (distance) P-C4' energy: -185.916 flat angles C4'-P-C4' energy: -172.595 flat angles P-C4'-P energy: -76.085 tors. eta vs tors. theta energy: -130.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1469.468200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.468200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.468200 (E_RNA) where: Base-Base interactions energy: -864.336 where: short stacking energy: -452.322 Base-Backbone interact. energy: -1.340 local terms energy: -603.792173 where: bonds (distance) C4'-P energy: -140.297 bonds (distance) P-C4' energy: -140.908 flat angles C4'-P-C4' energy: -152.327 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -77.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1187.580939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.580939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.580939 (E_RNA) where: Base-Base interactions energy: -677.670 where: short stacking energy: -365.856 Base-Backbone interact. energy: -2.529 local terms energy: -507.382020 where: bonds (distance) C4'-P energy: -128.034 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -138.700 flat angles P-C4'-P energy: -90.944 tors. eta vs tors. theta energy: -19.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -775.674520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.674520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.674520 (E_RNA) where: Base-Base interactions energy: -327.141 where: short stacking energy: -225.567 Base-Backbone interact. energy: 4.132 local terms energy: -452.665756 where: bonds (distance) C4'-P energy: -123.623 bonds (distance) P-C4' energy: -139.362 flat angles C4'-P-C4' energy: -130.471 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: 12.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3028.877496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.877496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.877496 (E_RNA) where: Base-Base interactions energy: -2094.964 where: short stacking energy: -946.978 Base-Backbone interact. energy: -1.396 local terms energy: -932.517432 where: bonds (distance) C4'-P energy: -166.393 bonds (distance) P-C4' energy: -164.426 flat angles C4'-P-C4' energy: -198.404 flat angles P-C4'-P energy: -136.780 tors. eta vs tors. theta energy: -266.515 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: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2958.621446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.621446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.621446 (E_RNA) where: Base-Base interactions energy: -1988.775 where: short stacking energy: -901.610 Base-Backbone interact. energy: 1.465 local terms energy: -971.311305 where: bonds (distance) C4'-P energy: -191.517 bonds (distance) P-C4' energy: -188.017 flat angles C4'-P-C4' energy: -196.146 flat angles P-C4'-P energy: -140.826 tors. eta vs tors. theta energy: -254.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2843.384647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.384647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.384647 (E_RNA) where: Base-Base interactions energy: -1935.323 where: short stacking energy: -882.973 Base-Backbone interact. energy: -3.243 local terms energy: -904.818833 where: bonds (distance) C4'-P energy: -160.912 bonds (distance) P-C4' energy: -169.311 flat angles C4'-P-C4' energy: -193.112 flat angles P-C4'-P energy: -127.962 tors. eta vs tors. theta energy: -253.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2606.016802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.016802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.016802 (E_RNA) where: Base-Base interactions energy: -1774.232 where: short stacking energy: -753.201 Base-Backbone interact. energy: -4.096 local terms energy: -827.689279 where: bonds (distance) C4'-P energy: -136.828 bonds (distance) P-C4' energy: -186.685 flat angles C4'-P-C4' energy: -181.120 flat angles P-C4'-P energy: -125.578 tors. eta vs tors. theta energy: -197.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2462.503331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.503331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.503331 (E_RNA) where: Base-Base interactions energy: -1653.184 where: short stacking energy: -744.885 Base-Backbone interact. energy: 0.345 local terms energy: -809.664851 where: bonds (distance) C4'-P energy: -146.453 bonds (distance) P-C4' energy: -167.515 flat angles C4'-P-C4' energy: -186.869 flat angles P-C4'-P energy: -107.256 tors. eta vs tors. theta energy: -201.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2208.916169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.916169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.916169 (E_RNA) where: Base-Base interactions energy: -1485.143 where: short stacking energy: -636.861 Base-Backbone interact. energy: -3.424 local terms energy: -720.349049 where: bonds (distance) C4'-P energy: -172.510 bonds (distance) P-C4' energy: -146.366 flat angles C4'-P-C4' energy: -159.324 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: -156.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1926.598369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.598369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.598369 (E_RNA) where: Base-Base interactions energy: -1257.915 where: short stacking energy: -577.473 Base-Backbone interact. energy: -1.282 local terms energy: -667.400848 where: bonds (distance) C4'-P energy: -144.962 bonds (distance) P-C4' energy: -154.658 flat angles C4'-P-C4' energy: -152.498 flat angles P-C4'-P energy: -93.435 tors. eta vs tors. theta energy: -121.847 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1489.457516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.457516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.457516 (E_RNA) where: Base-Base interactions energy: -890.690 where: short stacking energy: -470.480 Base-Backbone interact. energy: 2.413 local terms energy: -601.180987 where: bonds (distance) C4'-P energy: -126.657 bonds (distance) P-C4' energy: -166.275 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -93.331 tors. eta vs tors. theta energy: -72.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1227.232361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.232361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.232361 (E_RNA) where: Base-Base interactions energy: -719.640 where: short stacking energy: -386.064 Base-Backbone interact. energy: 2.314 local terms energy: -509.906840 where: bonds (distance) C4'-P energy: -130.430 bonds (distance) P-C4' energy: -147.840 flat angles C4'-P-C4' energy: -128.397 flat angles P-C4'-P energy: -83.685 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -806.752016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.752016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.752016 (E_RNA) where: Base-Base interactions energy: -353.098 where: short stacking energy: -229.942 Base-Backbone interact. energy: 1.854 local terms energy: -455.507981 where: bonds (distance) C4'-P energy: -144.781 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -104.692 flat angles P-C4'-P energy: -80.970 tors. eta vs tors. theta energy: 6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3038.824238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.824238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.824238 (E_RNA) where: Base-Base interactions energy: -2084.974 where: short stacking energy: -964.088 Base-Backbone interact. energy: -0.058 local terms energy: -953.791996 where: bonds (distance) C4'-P energy: -153.018 bonds (distance) P-C4' energy: -190.000 flat angles C4'-P-C4' energy: -204.991 flat angles P-C4'-P energy: -133.063 tors. eta vs tors. theta energy: -272.719 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: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2952.768118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.768118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.768118 (E_RNA) where: Base-Base interactions energy: -2030.579 where: short stacking energy: -934.405 Base-Backbone interact. energy: 1.487 local terms energy: -923.676032 where: bonds (distance) C4'-P energy: -154.488 bonds (distance) P-C4' energy: -160.741 flat angles C4'-P-C4' energy: -208.331 flat angles P-C4'-P energy: -137.092 tors. eta vs tors. theta energy: -263.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2793.426614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.426614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.426614 (E_RNA) where: Base-Base interactions energy: -1890.377 where: short stacking energy: -858.022 Base-Backbone interact. energy: -3.993 local terms energy: -899.056350 where: bonds (distance) C4'-P energy: -162.085 bonds (distance) P-C4' energy: -172.638 flat angles C4'-P-C4' energy: -197.053 flat angles P-C4'-P energy: -125.313 tors. eta vs tors. theta energy: -241.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2633.292453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.292453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.292453 (E_RNA) where: Base-Base interactions energy: -1799.873 where: short stacking energy: -771.944 Base-Backbone interact. energy: -5.247 local terms energy: -828.172926 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -176.576 flat angles C4'-P-C4' energy: -191.094 flat angles P-C4'-P energy: -120.047 tors. eta vs tors. theta energy: -197.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2482.637623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.637623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.637623 (E_RNA) where: Base-Base interactions energy: -1705.009 where: short stacking energy: -773.032 Base-Backbone interact. energy: 0.158 local terms energy: -777.785745 where: bonds (distance) C4'-P energy: -133.987 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -176.243 flat angles P-C4'-P energy: -116.712 tors. eta vs tors. theta energy: -195.036 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: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2232.735181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.735181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.735181 (E_RNA) where: Base-Base interactions energy: -1501.738 where: short stacking energy: -643.724 Base-Backbone interact. energy: -0.853 local terms energy: -730.144136 where: bonds (distance) C4'-P energy: -156.701 bonds (distance) P-C4' energy: -171.182 flat angles C4'-P-C4' energy: -147.809 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -157.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1952.971242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.971242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.971242 (E_RNA) where: Base-Base interactions energy: -1281.036 where: short stacking energy: -604.637 Base-Backbone interact. energy: 2.657 local terms energy: -674.591546 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -143.273 flat angles C4'-P-C4' energy: -171.376 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -113.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1496.632817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.632817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.632817 (E_RNA) where: Base-Base interactions energy: -867.799 where: short stacking energy: -433.562 Base-Backbone interact. energy: 0.360 local terms energy: -629.193599 where: bonds (distance) C4'-P energy: -158.063 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -146.060 flat angles P-C4'-P energy: -84.706 tors. eta vs tors. theta energy: -72.822 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: 211 Temperature: 1.300000 Total energy: -1260.062536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.062536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.062536 (E_RNA) where: Base-Base interactions energy: -724.336 where: short stacking energy: -357.295 Base-Backbone interact. energy: 4.691 local terms energy: -540.417789 where: bonds (distance) C4'-P energy: -125.307 bonds (distance) P-C4' energy: -125.972 flat angles C4'-P-C4' energy: -164.960 flat angles P-C4'-P energy: -95.900 tors. eta vs tors. theta energy: -28.279 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: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -840.711704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.711704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.711704 (E_RNA) where: Base-Base interactions energy: -387.668 where: short stacking energy: -249.826 Base-Backbone interact. energy: 4.235 local terms energy: -457.277916 where: bonds (distance) C4'-P energy: -134.690 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -106.257 flat angles P-C4'-P energy: -76.058 tors. eta vs tors. theta energy: 8.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3045.492742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.492742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.492742 (E_RNA) where: Base-Base interactions energy: -2039.670 where: short stacking energy: -928.608 Base-Backbone interact. energy: -1.618 local terms energy: -1004.205032 where: bonds (distance) C4'-P energy: -187.792 bonds (distance) P-C4' energy: -187.145 flat angles C4'-P-C4' energy: -210.546 flat angles P-C4'-P energy: -145.267 tors. eta vs tors. theta energy: -273.455 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: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2960.271345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.271345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.271345 (E_RNA) where: Base-Base interactions energy: -2026.280 where: short stacking energy: -903.573 Base-Backbone interact. energy: -2.627 local terms energy: -931.363751 where: bonds (distance) C4'-P energy: -169.506 bonds (distance) P-C4' energy: -181.038 flat angles C4'-P-C4' energy: -192.439 flat angles P-C4'-P energy: -131.449 tors. eta vs tors. theta energy: -256.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2806.416062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.416062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.416062 (E_RNA) where: Base-Base interactions energy: -1904.914 where: short stacking energy: -877.219 Base-Backbone interact. energy: 2.130 local terms energy: -903.631381 where: bonds (distance) C4'-P energy: -154.011 bonds (distance) P-C4' energy: -164.003 flat angles C4'-P-C4' energy: -201.768 flat angles P-C4'-P energy: -132.043 tors. eta vs tors. theta energy: -251.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2624.624949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.624949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.624949 (E_RNA) where: Base-Base interactions energy: -1788.614 where: short stacking energy: -761.097 Base-Backbone interact. energy: -0.681 local terms energy: -835.329018 where: bonds (distance) C4'-P energy: -167.830 bonds (distance) P-C4' energy: -174.110 flat angles C4'-P-C4' energy: -185.001 flat angles P-C4'-P energy: -109.312 tors. eta vs tors. theta energy: -199.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2407.857755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.857755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.857755 (E_RNA) where: Base-Base interactions energy: -1623.578 where: short stacking energy: -736.167 Base-Backbone interact. energy: 1.179 local terms energy: -785.458766 where: bonds (distance) C4'-P energy: -152.317 bonds (distance) P-C4' energy: -171.753 flat angles C4'-P-C4' energy: -177.052 flat angles P-C4'-P energy: -102.460 tors. eta vs tors. theta energy: -181.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2199.734984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.734984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.734984 (E_RNA) where: Base-Base interactions energy: -1472.537 where: short stacking energy: -647.442 Base-Backbone interact. energy: 0.571 local terms energy: -727.769133 where: bonds (distance) C4'-P energy: -156.790 bonds (distance) P-C4' energy: -147.355 flat angles C4'-P-C4' energy: -163.065 flat angles P-C4'-P energy: -108.162 tors. eta vs tors. theta energy: -152.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1901.243249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.243249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.243249 (E_RNA) where: Base-Base interactions energy: -1203.433 where: short stacking energy: -552.865 Base-Backbone interact. energy: -1.868 local terms energy: -695.942434 where: bonds (distance) C4'-P energy: -169.059 bonds (distance) P-C4' energy: -139.342 flat angles C4'-P-C4' energy: -153.803 flat angles P-C4'-P energy: -102.422 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: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1441.544320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.544320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.544320 (E_RNA) where: Base-Base interactions energy: -852.373 where: short stacking energy: -411.168 Base-Backbone interact. energy: 3.861 local terms energy: -593.031630 where: bonds (distance) C4'-P energy: -125.670 bonds (distance) P-C4' energy: -145.443 flat angles C4'-P-C4' energy: -165.454 flat angles P-C4'-P energy: -84.397 tors. eta vs tors. theta energy: -72.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1327.656487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.656487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.656487 (E_RNA) where: Base-Base interactions energy: -758.462 where: short stacking energy: -371.415 Base-Backbone interact. energy: 0.591 local terms energy: -569.785019 where: bonds (distance) C4'-P energy: -149.657 bonds (distance) P-C4' energy: -138.631 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -78.770 tors. eta vs tors. theta energy: -44.133 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: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -793.210535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.210535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.210535 (E_RNA) where: Base-Base interactions energy: -376.657 where: short stacking energy: -229.530 Base-Backbone interact. energy: 0.838 local terms energy: -417.391990 where: bonds (distance) C4'-P energy: -138.814 bonds (distance) P-C4' energy: -126.014 flat angles C4'-P-C4' energy: -123.847 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: 29.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3039.822037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.822037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.822037 (E_RNA) where: Base-Base interactions energy: -2078.296 where: short stacking energy: -936.548 Base-Backbone interact. energy: -2.933 local terms energy: -958.592878 where: bonds (distance) C4'-P energy: -165.194 bonds (distance) P-C4' energy: -175.225 flat angles C4'-P-C4' energy: -211.827 flat angles P-C4'-P energy: -138.076 tors. eta vs tors. theta energy: -268.272 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: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -3000.321524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.321524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.321524 (E_RNA) where: Base-Base interactions energy: -2047.015 where: short stacking energy: -889.999 Base-Backbone interact. energy: -2.359 local terms energy: -950.946941 where: bonds (distance) C4'-P energy: -180.900 bonds (distance) P-C4' energy: -176.711 flat angles C4'-P-C4' energy: -209.621 flat angles P-C4'-P energy: -126.508 tors. eta vs tors. theta energy: -257.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2858.645861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.645861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.645861 (E_RNA) where: Base-Base interactions energy: -1943.205 where: short stacking energy: -881.703 Base-Backbone interact. energy: -2.548 local terms energy: -912.893243 where: bonds (distance) C4'-P energy: -168.714 bonds (distance) P-C4' energy: -170.476 flat angles C4'-P-C4' energy: -191.406 flat angles P-C4'-P energy: -132.695 tors. eta vs tors. theta energy: -249.603 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: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2614.818316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.818316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.818316 (E_RNA) where: Base-Base interactions energy: -1810.904 where: short stacking energy: -765.960 Base-Backbone interact. energy: -4.034 local terms energy: -799.880258 where: bonds (distance) C4'-P energy: -147.364 bonds (distance) P-C4' energy: -178.077 flat angles C4'-P-C4' energy: -175.786 flat angles P-C4'-P energy: -97.281 tors. eta vs tors. theta energy: -201.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2441.983902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.983902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.983902 (E_RNA) where: Base-Base interactions energy: -1655.792 where: short stacking energy: -780.532 Base-Backbone interact. energy: 1.460 local terms energy: -787.652016 where: bonds (distance) C4'-P energy: -151.250 bonds (distance) P-C4' energy: -152.093 flat angles C4'-P-C4' energy: -178.083 flat angles P-C4'-P energy: -110.179 tors. eta vs tors. theta energy: -196.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2219.289554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.289554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.289554 (E_RNA) where: Base-Base interactions energy: -1482.642 where: short stacking energy: -632.293 Base-Backbone interact. energy: 8.576 local terms energy: -745.223512 where: bonds (distance) C4'-P energy: -149.505 bonds (distance) P-C4' energy: -172.703 flat angles C4'-P-C4' energy: -174.545 flat angles P-C4'-P energy: -100.222 tors. eta vs tors. theta energy: -148.248 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: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1907.289717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.289717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.289717 (E_RNA) where: Base-Base interactions energy: -1236.811 where: short stacking energy: -546.866 Base-Backbone interact. energy: 2.319 local terms energy: -672.797390 where: bonds (distance) C4'-P energy: -153.490 bonds (distance) P-C4' energy: -164.181 flat angles C4'-P-C4' energy: -171.790 flat angles P-C4'-P energy: -77.232 tors. eta vs tors. theta energy: -106.105 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: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1398.412455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.412455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.412455 (E_RNA) where: Base-Base interactions energy: -811.975 where: short stacking energy: -385.200 Base-Backbone interact. energy: -3.681 local terms energy: -582.756650 where: bonds (distance) C4'-P energy: -154.531 bonds (distance) P-C4' energy: -146.426 flat angles C4'-P-C4' energy: -145.743 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -55.314 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: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1289.886890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.886890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.886890 (E_RNA) where: Base-Base interactions energy: -765.900 where: short stacking energy: -367.932 Base-Backbone interact. energy: 0.234 local terms energy: -524.220675 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -135.201 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -35.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -849.079296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.079296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.079296 (E_RNA) where: Base-Base interactions energy: -407.462 where: short stacking energy: -253.246 Base-Backbone interact. energy: 1.160 local terms energy: -442.777546 where: bonds (distance) C4'-P energy: -121.680 bonds (distance) P-C4' energy: -155.490 flat angles C4'-P-C4' energy: -112.450 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: 9.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3054.918805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.918805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.918805 (E_RNA) where: Base-Base interactions energy: -2071.826 where: short stacking energy: -967.300 Base-Backbone interact. energy: 0.700 local terms energy: -983.792645 where: bonds (distance) C4'-P energy: -158.999 bonds (distance) P-C4' energy: -189.042 flat angles C4'-P-C4' energy: -209.644 flat angles P-C4'-P energy: -143.777 tors. eta vs tors. theta energy: -282.330 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: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2983.134204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.134204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.134204 (E_RNA) where: Base-Base interactions energy: -2048.331 where: short stacking energy: -890.525 Base-Backbone interact. energy: 0.796 local terms energy: -935.598949 where: bonds (distance) C4'-P energy: -163.130 bonds (distance) P-C4' energy: -190.186 flat angles C4'-P-C4' energy: -205.687 flat angles P-C4'-P energy: -129.412 tors. eta vs tors. theta energy: -247.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2829.231759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.231759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.231759 (E_RNA) where: Base-Base interactions energy: -1895.436 where: short stacking energy: -880.033 Base-Backbone interact. energy: -0.094 local terms energy: -933.701329 where: bonds (distance) C4'-P energy: -164.688 bonds (distance) P-C4' energy: -190.208 flat angles C4'-P-C4' energy: -188.087 flat angles P-C4'-P energy: -134.646 tors. eta vs tors. theta energy: -256.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2559.808779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.808779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.808779 (E_RNA) where: Base-Base interactions energy: -1714.347 where: short stacking energy: -739.277 Base-Backbone interact. energy: -3.320 local terms energy: -842.141658 where: bonds (distance) C4'-P energy: -171.409 bonds (distance) P-C4' energy: -154.958 flat angles C4'-P-C4' energy: -188.332 flat angles P-C4'-P energy: -129.451 tors. eta vs tors. theta energy: -197.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2378.608049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.608049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.608049 (E_RNA) where: Base-Base interactions energy: -1600.297 where: short stacking energy: -715.606 Base-Backbone interact. energy: -2.584 local terms energy: -775.727703 where: bonds (distance) C4'-P energy: -155.379 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -182.370 flat angles P-C4'-P energy: -101.689 tors. eta vs tors. theta energy: -181.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2133.442601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.442601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.442601 (E_RNA) where: Base-Base interactions energy: -1439.773 where: short stacking energy: -624.913 Base-Backbone interact. energy: 1.607 local terms energy: -695.276624 where: bonds (distance) C4'-P energy: -152.382 bonds (distance) P-C4' energy: -175.186 flat angles C4'-P-C4' energy: -142.020 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -147.887 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: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1928.115539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.115539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.115539 (E_RNA) where: Base-Base interactions energy: -1274.853 where: short stacking energy: -546.244 Base-Backbone interact. energy: -5.352 local terms energy: -647.911236 where: bonds (distance) C4'-P energy: -153.666 bonds (distance) P-C4' energy: -146.196 flat angles C4'-P-C4' energy: -159.944 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -109.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1439.968093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.968093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.968093 (E_RNA) where: Base-Base interactions energy: -867.763 where: short stacking energy: -424.346 Base-Backbone interact. energy: -2.567 local terms energy: -569.638309 where: bonds (distance) C4'-P energy: -137.194 bonds (distance) P-C4' energy: -151.393 flat angles C4'-P-C4' energy: -155.010 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -29.232 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: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1317.197384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.197384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.197384 (E_RNA) where: Base-Base interactions energy: -793.679 where: short stacking energy: -368.826 Base-Backbone interact. energy: -1.504 local terms energy: -522.014277 where: bonds (distance) C4'-P energy: -146.158 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -127.599 flat angles P-C4'-P energy: -80.649 tors. eta vs tors. theta energy: -36.302 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: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -834.464563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.464563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.464563 (E_RNA) where: Base-Base interactions energy: -372.154 where: short stacking energy: -238.280 Base-Backbone interact. energy: -0.289 local terms energy: -462.020780 where: bonds (distance) C4'-P energy: -168.298 bonds (distance) P-C4' energy: -136.531 flat angles C4'-P-C4' energy: -111.563 flat angles P-C4'-P energy: -69.591 tors. eta vs tors. theta energy: 23.962 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: 215 Temperature: 0.900000 Total energy: -3094.361090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.361090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.361090 (E_RNA) where: Base-Base interactions energy: -2105.782 where: short stacking energy: -985.903 Base-Backbone interact. energy: -3.280 local terms energy: -985.299979 where: bonds (distance) C4'-P energy: -178.723 bonds (distance) P-C4' energy: -183.660 flat angles C4'-P-C4' energy: -205.516 flat angles P-C4'-P energy: -136.750 tors. eta vs tors. theta energy: -280.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -3010.921056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.921056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.921056 (E_RNA) where: Base-Base interactions energy: -2092.842 where: short stacking energy: -931.082 Base-Backbone interact. energy: 5.833 local terms energy: -923.912650 where: bonds (distance) C4'-P energy: -168.821 bonds (distance) P-C4' energy: -184.726 flat angles C4'-P-C4' energy: -191.491 flat angles P-C4'-P energy: -122.686 tors. eta vs tors. theta energy: -256.188 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: 215 Temperature: 1.000000 Total energy: -2839.145829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.145829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.145829 (E_RNA) where: Base-Base interactions energy: -1916.361 where: short stacking energy: -874.167 Base-Backbone interact. energy: -1.635 local terms energy: -921.150633 where: bonds (distance) C4'-P energy: -158.898 bonds (distance) P-C4' energy: -186.836 flat angles C4'-P-C4' energy: -198.460 flat angles P-C4'-P energy: -120.579 tors. eta vs tors. theta energy: -256.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2601.637064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.637064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.637064 (E_RNA) where: Base-Base interactions energy: -1788.111 where: short stacking energy: -787.456 Base-Backbone interact. energy: 1.832 local terms energy: -815.357968 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -168.684 flat angles C4'-P-C4' energy: -176.273 flat angles P-C4'-P energy: -124.966 tors. eta vs tors. theta energy: -195.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2394.959466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.959466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.959466 (E_RNA) where: Base-Base interactions energy: -1598.452 where: short stacking energy: -724.582 Base-Backbone interact. energy: -2.014 local terms energy: -794.493200 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -168.755 flat angles C4'-P-C4' energy: -191.245 flat angles P-C4'-P energy: -115.385 tors. eta vs tors. theta energy: -180.361 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: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2154.497941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.497941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.497941 (E_RNA) where: Base-Base interactions energy: -1442.673 where: short stacking energy: -591.876 Base-Backbone interact. energy: 3.236 local terms energy: -715.061862 where: bonds (distance) C4'-P energy: -174.078 bonds (distance) P-C4' energy: -151.161 flat angles C4'-P-C4' energy: -159.972 flat angles P-C4'-P energy: -96.425 tors. eta vs tors. theta energy: -133.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1994.682643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.682643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.682643 (E_RNA) where: Base-Base interactions energy: -1318.482 where: short stacking energy: -590.602 Base-Backbone interact. energy: 2.922 local terms energy: -679.122925 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -153.853 flat angles C4'-P-C4' energy: -151.869 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -127.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1571.862719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.862719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.862719 (E_RNA) where: Base-Base interactions energy: -966.400 where: short stacking energy: -484.390 Base-Backbone interact. energy: 2.646 local terms energy: -608.109003 where: bonds (distance) C4'-P energy: -125.334 bonds (distance) P-C4' energy: -178.630 flat angles C4'-P-C4' energy: -147.556 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -70.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1316.446999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.446999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.446999 (E_RNA) where: Base-Base interactions energy: -749.337 where: short stacking energy: -370.704 Base-Backbone interact. energy: 0.848 local terms energy: -567.957621 where: bonds (distance) C4'-P energy: -132.939 bonds (distance) P-C4' energy: -168.821 flat angles C4'-P-C4' energy: -143.095 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -53.256 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: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -804.162313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.162313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.162313 (E_RNA) where: Base-Base interactions energy: -370.338 where: short stacking energy: -199.902 Base-Backbone interact. energy: 2.968 local terms energy: -436.791803 where: bonds (distance) C4'-P energy: -122.455 bonds (distance) P-C4' energy: -149.366 flat angles C4'-P-C4' energy: -147.064 flat angles P-C4'-P energy: -60.586 tors. eta vs tors. theta energy: 42.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3069.507295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.507295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.507295 (E_RNA) where: Base-Base interactions energy: -2080.290 where: short stacking energy: -930.084 Base-Backbone interact. energy: -1.854 local terms energy: -987.363525 where: bonds (distance) C4'-P energy: -184.652 bonds (distance) P-C4' energy: -188.701 flat angles C4'-P-C4' energy: -217.343 flat angles P-C4'-P energy: -133.714 tors. eta vs tors. theta energy: -262.953 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: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2975.959167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.959167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.959167 (E_RNA) where: Base-Base interactions energy: -2010.227 where: short stacking energy: -950.853 Base-Backbone interact. energy: 2.053 local terms energy: -967.785658 where: bonds (distance) C4'-P energy: -177.698 bonds (distance) P-C4' energy: -178.303 flat angles C4'-P-C4' energy: -195.764 flat angles P-C4'-P energy: -137.286 tors. eta vs tors. theta energy: -278.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2809.030262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.030262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.030262 (E_RNA) where: Base-Base interactions energy: -1921.366 where: short stacking energy: -869.250 Base-Backbone interact. energy: 4.859 local terms energy: -892.523185 where: bonds (distance) C4'-P energy: -164.296 bonds (distance) P-C4' energy: -169.897 flat angles C4'-P-C4' energy: -191.416 flat angles P-C4'-P energy: -127.919 tors. eta vs tors. theta energy: -238.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2629.719031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.719031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.719031 (E_RNA) where: Base-Base interactions energy: -1811.393 where: short stacking energy: -746.614 Base-Backbone interact. energy: -1.055 local terms energy: -817.270950 where: bonds (distance) C4'-P energy: -164.004 bonds (distance) P-C4' energy: -169.133 flat angles C4'-P-C4' energy: -174.209 flat angles P-C4'-P energy: -120.927 tors. eta vs tors. theta energy: -188.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2455.028798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.028798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.028798 (E_RNA) where: Base-Base interactions energy: -1666.186 where: short stacking energy: -731.791 Base-Backbone interact. energy: -0.491 local terms energy: -788.351276 where: bonds (distance) C4'-P energy: -165.632 bonds (distance) P-C4' energy: -184.382 flat angles C4'-P-C4' energy: -158.984 flat angles P-C4'-P energy: -97.962 tors. eta vs tors. theta energy: -181.392 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: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2210.041615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.041615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.041615 (E_RNA) where: Base-Base interactions energy: -1490.468 where: short stacking energy: -649.974 Base-Backbone interact. energy: -4.957 local terms energy: -714.616566 where: bonds (distance) C4'-P energy: -139.910 bonds (distance) P-C4' energy: -152.032 flat angles C4'-P-C4' energy: -146.619 flat angles P-C4'-P energy: -114.418 tors. eta vs tors. theta energy: -161.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2013.942736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.942736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.942736 (E_RNA) where: Base-Base interactions energy: -1293.152 where: short stacking energy: -590.395 Base-Backbone interact. energy: 4.075 local terms energy: -724.866254 where: bonds (distance) C4'-P energy: -144.685 bonds (distance) P-C4' energy: -164.896 flat angles C4'-P-C4' energy: -177.976 flat angles P-C4'-P energy: -88.937 tors. eta vs tors. theta energy: -148.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1511.640968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.640968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.640968 (E_RNA) where: Base-Base interactions energy: -923.890 where: short stacking energy: -449.782 Base-Backbone interact. energy: 9.831 local terms energy: -597.582226 where: bonds (distance) C4'-P energy: -137.901 bonds (distance) P-C4' energy: -149.632 flat angles C4'-P-C4' energy: -156.603 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -82.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1378.410323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.410323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.410323 (E_RNA) where: Base-Base interactions energy: -801.571 where: short stacking energy: -374.289 Base-Backbone interact. energy: 10.175 local terms energy: -587.014599 where: bonds (distance) C4'-P energy: -150.427 bonds (distance) P-C4' energy: -143.717 flat angles C4'-P-C4' energy: -147.792 flat angles P-C4'-P energy: -85.389 tors. eta vs tors. theta energy: -59.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -889.733227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.733227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.733227 (E_RNA) where: Base-Base interactions energy: -419.734 where: short stacking energy: -253.239 Base-Backbone interact. energy: -0.173 local terms energy: -469.826446 where: bonds (distance) C4'-P energy: -133.083 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: 18.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3030.294389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.294389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.294389 (E_RNA) where: Base-Base interactions energy: -2075.254 where: short stacking energy: -924.487 Base-Backbone interact. energy: -1.319 local terms energy: -953.721459 where: bonds (distance) C4'-P energy: -176.807 bonds (distance) P-C4' energy: -165.560 flat angles C4'-P-C4' energy: -206.158 flat angles P-C4'-P energy: -142.280 tors. eta vs tors. theta energy: -262.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2951.863105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.863105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.863105 (E_RNA) where: Base-Base interactions energy: -1983.116 where: short stacking energy: -918.741 Base-Backbone interact. energy: -0.275 local terms energy: -968.472056 where: bonds (distance) C4'-P energy: -174.687 bonds (distance) P-C4' energy: -177.581 flat angles C4'-P-C4' energy: -204.746 flat angles P-C4'-P energy: -135.432 tors. eta vs tors. theta energy: -276.026 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: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2805.474457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.474457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.474457 (E_RNA) where: Base-Base interactions energy: -1890.614 where: short stacking energy: -840.736 Base-Backbone interact. energy: 1.788 local terms energy: -916.648218 where: bonds (distance) C4'-P energy: -177.091 bonds (distance) P-C4' energy: -185.679 flat angles C4'-P-C4' energy: -185.582 flat angles P-C4'-P energy: -122.969 tors. eta vs tors. theta energy: -245.327 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: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2611.095647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.095647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.095647 (E_RNA) where: Base-Base interactions energy: -1780.729 where: short stacking energy: -751.119 Base-Backbone interact. energy: -2.736 local terms energy: -827.630865 where: bonds (distance) C4'-P energy: -154.447 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -178.865 flat angles P-C4'-P energy: -126.898 tors. eta vs tors. theta energy: -202.428 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: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2430.000467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.000467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.000467 (E_RNA) where: Base-Base interactions energy: -1610.644 where: short stacking energy: -708.331 Base-Backbone interact. energy: -3.596 local terms energy: -815.760331 where: bonds (distance) C4'-P energy: -178.285 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -179.787 flat angles P-C4'-P energy: -118.874 tors. eta vs tors. theta energy: -186.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2157.262310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.262310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.262310 (E_RNA) where: Base-Base interactions energy: -1447.763 where: short stacking energy: -634.878 Base-Backbone interact. energy: -1.813 local terms energy: -707.685909 where: bonds (distance) C4'-P energy: -142.480 bonds (distance) P-C4' energy: -165.796 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -95.223 tors. eta vs tors. theta energy: -154.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2021.230873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.230873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.230873 (E_RNA) where: Base-Base interactions energy: -1336.423 where: short stacking energy: -647.689 Base-Backbone interact. energy: -5.821 local terms energy: -678.986935 where: bonds (distance) C4'-P energy: -129.591 bonds (distance) P-C4' energy: -157.782 flat angles C4'-P-C4' energy: -155.018 flat angles P-C4'-P energy: -87.232 tors. eta vs tors. theta energy: -149.364 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1588.536659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.536659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.536659 (E_RNA) where: Base-Base interactions energy: -971.614 where: short stacking energy: -467.550 Base-Backbone interact. energy: 3.007 local terms energy: -619.929831 where: bonds (distance) C4'-P energy: -145.983 bonds (distance) P-C4' energy: -140.586 flat angles C4'-P-C4' energy: -141.269 flat angles P-C4'-P energy: -111.123 tors. eta vs tors. theta energy: -80.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1263.522288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.522288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.522288 (E_RNA) where: Base-Base interactions energy: -712.099 where: short stacking energy: -343.129 Base-Backbone interact. energy: -2.838 local terms energy: -548.585106 where: bonds (distance) C4'-P energy: -127.178 bonds (distance) P-C4' energy: -148.016 flat angles C4'-P-C4' energy: -142.360 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -35.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -850.886278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.886278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.886278 (E_RNA) where: Base-Base interactions energy: -381.187 where: short stacking energy: -251.670 Base-Backbone interact. energy: -0.553 local terms energy: -469.146661 where: bonds (distance) C4'-P energy: -150.950 bonds (distance) P-C4' energy: -139.420 flat angles C4'-P-C4' energy: -121.500 flat angles P-C4'-P energy: -74.181 tors. eta vs tors. theta energy: 16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3032.597867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.597867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.597867 (E_RNA) where: Base-Base interactions energy: -2083.754 where: short stacking energy: -932.298 Base-Backbone interact. energy: -1.739 local terms energy: -947.104845 where: bonds (distance) C4'-P energy: -178.409 bonds (distance) P-C4' energy: -175.300 flat angles C4'-P-C4' energy: -196.483 flat angles P-C4'-P energy: -142.941 tors. eta vs tors. theta energy: -253.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2991.904486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.904486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.904486 (E_RNA) where: Base-Base interactions energy: -2024.309 where: short stacking energy: -941.190 Base-Backbone interact. energy: -2.563 local terms energy: -965.032695 where: bonds (distance) C4'-P energy: -173.728 bonds (distance) P-C4' energy: -169.485 flat angles C4'-P-C4' energy: -204.594 flat angles P-C4'-P energy: -149.423 tors. eta vs tors. theta energy: -267.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2804.349750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.349750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.349750 (E_RNA) where: Base-Base interactions energy: -1899.724 where: short stacking energy: -877.648 Base-Backbone interact. energy: 1.109 local terms energy: -905.735284 where: bonds (distance) C4'-P energy: -166.358 bonds (distance) P-C4' energy: -172.177 flat angles C4'-P-C4' energy: -189.230 flat angles P-C4'-P energy: -135.678 tors. eta vs tors. theta energy: -242.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2601.129597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.129597 (E_RNA) where: Base-Base interactions energy: -1781.144 where: short stacking energy: -748.903 Base-Backbone interact. energy: -2.113 local terms energy: -817.872906 where: bonds (distance) C4'-P energy: -145.066 bonds (distance) P-C4' energy: -160.092 flat angles C4'-P-C4' energy: -208.482 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -189.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2411.226904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.226904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.226904 (E_RNA) where: Base-Base interactions energy: -1617.740 where: short stacking energy: -706.451 Base-Backbone interact. energy: 4.626 local terms energy: -798.112921 where: bonds (distance) C4'-P energy: -164.876 bonds (distance) P-C4' energy: -159.428 flat angles C4'-P-C4' energy: -178.498 flat angles P-C4'-P energy: -111.525 tors. eta vs tors. theta energy: -183.786 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: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2132.106970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.106970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.106970 (E_RNA) where: Base-Base interactions energy: -1411.738 where: short stacking energy: -641.629 Base-Backbone interact. energy: -1.846 local terms energy: -718.522966 where: bonds (distance) C4'-P energy: -150.546 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -170.440 flat angles P-C4'-P energy: -99.925 tors. eta vs tors. theta energy: -146.323 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: 218 Temperature: 1.200000 Total energy: -1922.914423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.914423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.914423 (E_RNA) where: Base-Base interactions energy: -1238.271 where: short stacking energy: -572.738 Base-Backbone interact. energy: -2.311 local terms energy: -682.332675 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -160.412 flat angles C4'-P-C4' energy: -152.669 flat angles P-C4'-P energy: -88.189 tors. eta vs tors. theta energy: -120.345 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: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1603.801815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.801815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.801815 (E_RNA) where: Base-Base interactions energy: -987.317 where: short stacking energy: -466.393 Base-Backbone interact. energy: 8.384 local terms energy: -624.868455 where: bonds (distance) C4'-P energy: -150.134 bonds (distance) P-C4' energy: -128.460 flat angles C4'-P-C4' energy: -157.033 flat angles P-C4'-P energy: -105.272 tors. eta vs tors. theta energy: -83.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1299.822759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.822759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.822759 (E_RNA) where: Base-Base interactions energy: -745.973 where: short stacking energy: -381.931 Base-Backbone interact. energy: 4.881 local terms energy: -558.730336 where: bonds (distance) C4'-P energy: -141.999 bonds (distance) P-C4' energy: -132.062 flat angles C4'-P-C4' energy: -154.311 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -40.554 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: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -806.098270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.098270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.098270 (E_RNA) where: Base-Base interactions energy: -336.033 where: short stacking energy: -215.940 Base-Backbone interact. energy: -2.071 local terms energy: -467.994421 where: bonds (distance) C4'-P energy: -139.627 bonds (distance) P-C4' energy: -139.313 flat angles C4'-P-C4' energy: -134.981 flat angles P-C4'-P energy: -72.963 tors. eta vs tors. theta energy: 18.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3034.520187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.520187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.520187 (E_RNA) where: Base-Base interactions energy: -2079.301 where: short stacking energy: -925.181 Base-Backbone interact. energy: -1.363 local terms energy: -953.856955 where: bonds (distance) C4'-P energy: -180.447 bonds (distance) P-C4' energy: -183.293 flat angles C4'-P-C4' energy: -200.537 flat angles P-C4'-P energy: -125.416 tors. eta vs tors. theta energy: -264.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2972.908101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.908101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.908101 (E_RNA) where: Base-Base interactions energy: -1984.636 where: short stacking energy: -913.947 Base-Backbone interact. energy: 0.478 local terms energy: -988.749656 where: bonds (distance) C4'-P energy: -178.558 bonds (distance) P-C4' energy: -187.820 flat angles C4'-P-C4' energy: -209.523 flat angles P-C4'-P energy: -137.304 tors. eta vs tors. theta energy: -275.544 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: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2823.465256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.465256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.465256 (E_RNA) where: Base-Base interactions energy: -1925.444 where: short stacking energy: -878.480 Base-Backbone interact. energy: 1.086 local terms energy: -899.107474 where: bonds (distance) C4'-P energy: -146.241 bonds (distance) P-C4' energy: -166.073 flat angles C4'-P-C4' energy: -198.375 flat angles P-C4'-P energy: -132.385 tors. eta vs tors. theta energy: -256.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2634.109637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.109637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.109637 (E_RNA) where: Base-Base interactions energy: -1798.528 where: short stacking energy: -770.510 Base-Backbone interact. energy: -2.444 local terms energy: -833.137395 where: bonds (distance) C4'-P energy: -164.875 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -199.188 flat angles P-C4'-P energy: -110.178 tors. eta vs tors. theta energy: -211.797 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2427.640200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.640200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.640200 (E_RNA) where: Base-Base interactions energy: -1621.620 where: short stacking energy: -746.117 Base-Backbone interact. energy: -2.007 local terms energy: -804.013196 where: bonds (distance) C4'-P energy: -154.437 bonds (distance) P-C4' energy: -175.382 flat angles C4'-P-C4' energy: -169.767 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -206.422 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: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2040.599015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.599015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.599015 (E_RNA) where: Base-Base interactions energy: -1337.793 where: short stacking energy: -578.277 Base-Backbone interact. energy: 0.809 local terms energy: -703.614568 where: bonds (distance) C4'-P energy: -143.402 bonds (distance) P-C4' energy: -171.940 flat angles C4'-P-C4' energy: -166.369 flat angles P-C4'-P energy: -88.473 tors. eta vs tors. theta energy: -133.430 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: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1939.741031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.741031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.741031 (E_RNA) where: Base-Base interactions energy: -1248.710 where: short stacking energy: -579.887 Base-Backbone interact. energy: -2.556 local terms energy: -688.474128 where: bonds (distance) C4'-P energy: -152.698 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -137.912 flat angles P-C4'-P energy: -100.841 tors. eta vs tors. theta energy: -149.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1623.538134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.538134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.538134 (E_RNA) where: Base-Base interactions energy: -1031.632 where: short stacking energy: -471.971 Base-Backbone interact. energy: -0.293 local terms energy: -591.613025 where: bonds (distance) C4'-P energy: -145.976 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -151.365 flat angles P-C4'-P energy: -89.189 tors. eta vs tors. theta energy: -65.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1183.502203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.502203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.502203 (E_RNA) where: Base-Base interactions energy: -681.106 where: short stacking energy: -348.267 Base-Backbone interact. energy: -0.528 local terms energy: -501.868774 where: bonds (distance) C4'-P energy: -127.265 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -24.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -864.342855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.342855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.342855 (E_RNA) where: Base-Base interactions energy: -451.624 where: short stacking energy: -275.671 Base-Backbone interact. energy: 8.279 local terms energy: -420.998530 where: bonds (distance) C4'-P energy: -132.849 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -102.786 flat angles P-C4'-P energy: -68.195 tors. eta vs tors. theta energy: 21.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3027.957977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.957977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.957977 (E_RNA) where: Base-Base interactions energy: -2059.610 where: short stacking energy: -912.564 Base-Backbone interact. energy: -4.954 local terms energy: -963.393624 where: bonds (distance) C4'-P energy: -177.298 bonds (distance) P-C4' energy: -178.207 flat angles C4'-P-C4' energy: -203.247 flat angles P-C4'-P energy: -138.258 tors. eta vs tors. theta energy: -266.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2961.920391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.920391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.920391 (E_RNA) where: Base-Base interactions energy: -2004.457 where: short stacking energy: -919.234 Base-Backbone interact. energy: 0.709 local terms energy: -958.172292 where: bonds (distance) C4'-P energy: -162.764 bonds (distance) P-C4' energy: -180.435 flat angles C4'-P-C4' energy: -198.941 flat angles P-C4'-P energy: -144.193 tors. eta vs tors. theta energy: -271.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2799.099235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.099235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.099235 (E_RNA) where: Base-Base interactions energy: -1911.674 where: short stacking energy: -853.601 Base-Backbone interact. energy: -2.346 local terms energy: -885.079167 where: bonds (distance) C4'-P energy: -162.487 bonds (distance) P-C4' energy: -167.152 flat angles C4'-P-C4' energy: -194.211 flat angles P-C4'-P energy: -128.361 tors. eta vs tors. theta energy: -232.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2587.273279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.273279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.273279 (E_RNA) where: Base-Base interactions energy: -1771.241 where: short stacking energy: -795.430 Base-Backbone interact. energy: -3.544 local terms energy: -812.487840 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -164.504 flat angles C4'-P-C4' energy: -186.653 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -206.258 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2514.901618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.901618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.901618 (E_RNA) where: Base-Base interactions energy: -1712.448 where: short stacking energy: -769.095 Base-Backbone interact. energy: 3.880 local terms energy: -806.334014 where: bonds (distance) C4'-P energy: -165.115 bonds (distance) P-C4' energy: -159.407 flat angles C4'-P-C4' energy: -173.583 flat angles P-C4'-P energy: -107.000 tors. eta vs tors. theta energy: -201.228 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: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2112.201102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.201102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.201102 (E_RNA) where: Base-Base interactions energy: -1381.981 where: short stacking energy: -616.375 Base-Backbone interact. energy: -0.701 local terms energy: -729.519013 where: bonds (distance) C4'-P energy: -166.772 bonds (distance) P-C4' energy: -160.312 flat angles C4'-P-C4' energy: -146.705 flat angles P-C4'-P energy: -103.231 tors. eta vs tors. theta energy: -152.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1976.234835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.234835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.234835 (E_RNA) where: Base-Base interactions energy: -1311.661 where: short stacking energy: -580.760 Base-Backbone interact. energy: -1.209 local terms energy: -663.365279 where: bonds (distance) C4'-P energy: -156.471 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -141.104 flat angles P-C4'-P energy: -88.369 tors. eta vs tors. theta energy: -114.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1577.745368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.745368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.745368 (E_RNA) where: Base-Base interactions energy: -960.136 where: short stacking energy: -429.391 Base-Backbone interact. energy: 2.334 local terms energy: -619.943509 where: bonds (distance) C4'-P energy: -141.321 bonds (distance) P-C4' energy: -156.534 flat angles C4'-P-C4' energy: -132.407 flat angles P-C4'-P energy: -110.495 tors. eta vs tors. theta energy: -79.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1209.425995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.425995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.425995 (E_RNA) where: Base-Base interactions energy: -638.265 where: short stacking energy: -330.345 Base-Backbone interact. energy: 1.860 local terms energy: -573.020232 where: bonds (distance) C4'-P energy: -162.414 bonds (distance) P-C4' energy: -144.637 flat angles C4'-P-C4' energy: -139.903 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -51.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -859.870134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.870134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.870134 (E_RNA) where: Base-Base interactions energy: -410.948 where: short stacking energy: -219.578 Base-Backbone interact. energy: 1.290 local terms energy: -450.212512 where: bonds (distance) C4'-P energy: -152.828 bonds (distance) P-C4' energy: -146.558 flat angles C4'-P-C4' energy: -123.536 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: 30.548 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: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3048.528824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.528824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.528824 (E_RNA) where: Base-Base interactions energy: -2080.490 where: short stacking energy: -931.041 Base-Backbone interact. energy: -2.619 local terms energy: -965.420528 where: bonds (distance) C4'-P energy: -168.964 bonds (distance) P-C4' energy: -193.604 flat angles C4'-P-C4' energy: -198.776 flat angles P-C4'-P energy: -142.503 tors. eta vs tors. theta energy: -261.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2977.361358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.361358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.361358 (E_RNA) where: Base-Base interactions energy: -2030.162 where: short stacking energy: -920.636 Base-Backbone interact. energy: -0.044 local terms energy: -947.155629 where: bonds (distance) C4'-P energy: -164.779 bonds (distance) P-C4' energy: -190.950 flat angles C4'-P-C4' energy: -191.192 flat angles P-C4'-P energy: -132.791 tors. eta vs tors. theta energy: -267.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2783.700250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.700250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.700250 (E_RNA) where: Base-Base interactions energy: -1902.404 where: short stacking energy: -825.919 Base-Backbone interact. energy: -1.221 local terms energy: -880.076006 where: bonds (distance) C4'-P energy: -147.649 bonds (distance) P-C4' energy: -178.254 flat angles C4'-P-C4' energy: -188.064 flat angles P-C4'-P energy: -124.566 tors. eta vs tors. theta energy: -241.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2564.740986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.740986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.740986 (E_RNA) where: Base-Base interactions energy: -1725.794 where: short stacking energy: -743.556 Base-Backbone interact. energy: -3.116 local terms energy: -835.830147 where: bonds (distance) C4'-P energy: -178.646 bonds (distance) P-C4' energy: -167.649 flat angles C4'-P-C4' energy: -173.523 flat angles P-C4'-P energy: -129.418 tors. eta vs tors. theta energy: -186.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2475.168326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.168326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.168326 (E_RNA) where: Base-Base interactions energy: -1692.889 where: short stacking energy: -731.085 Base-Backbone interact. energy: -1.567 local terms energy: -780.712439 where: bonds (distance) C4'-P energy: -145.276 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -174.917 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -192.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2079.305292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.305292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.305292 (E_RNA) where: Base-Base interactions energy: -1372.629 where: short stacking energy: -625.046 Base-Backbone interact. energy: -1.894 local terms energy: -704.781505 where: bonds (distance) C4'-P energy: -147.299 bonds (distance) P-C4' energy: -158.087 flat angles C4'-P-C4' energy: -162.726 flat angles P-C4'-P energy: -106.812 tors. eta vs tors. theta energy: -129.858 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: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1914.896823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.896823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.896823 (E_RNA) where: Base-Base interactions energy: -1242.436 where: short stacking energy: -545.076 Base-Backbone interact. energy: -4.570 local terms energy: -667.890453 where: bonds (distance) C4'-P energy: -148.429 bonds (distance) P-C4' energy: -155.965 flat angles C4'-P-C4' energy: -141.571 flat angles P-C4'-P energy: -103.663 tors. eta vs tors. theta energy: -118.262 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: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1718.260838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.260838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.260838 (E_RNA) where: Base-Base interactions energy: -1124.069 where: short stacking energy: -512.912 Base-Backbone interact. energy: -2.250 local terms energy: -591.941424 where: bonds (distance) C4'-P energy: -153.643 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -132.195 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: -97.423 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: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1180.301306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.301306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.301306 (E_RNA) where: Base-Base interactions energy: -632.969 where: short stacking energy: -359.871 Base-Backbone interact. energy: 8.327 local terms energy: -555.660077 where: bonds (distance) C4'-P energy: -154.730 bonds (distance) P-C4' energy: -168.945 flat angles C4'-P-C4' energy: -126.944 flat angles P-C4'-P energy: -75.290 tors. eta vs tors. theta energy: -29.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -885.814949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.814949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.814949 (E_RNA) where: Base-Base interactions energy: -428.842 where: short stacking energy: -259.261 Base-Backbone interact. energy: 2.440 local terms energy: -459.412627 where: bonds (distance) C4'-P energy: -130.167 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -118.378 flat angles P-C4'-P energy: -88.428 tors. eta vs tors. theta energy: 18.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3062.546599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.546599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.546599 (E_RNA) where: Base-Base interactions energy: -2096.526 where: short stacking energy: -934.556 Base-Backbone interact. energy: -3.840 local terms energy: -962.180532 where: bonds (distance) C4'-P energy: -198.019 bonds (distance) P-C4' energy: -163.565 flat angles C4'-P-C4' energy: -215.097 flat angles P-C4'-P energy: -144.844 tors. eta vs tors. theta energy: -240.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2981.275352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.275352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.275352 (E_RNA) where: Base-Base interactions energy: -2014.051 where: short stacking energy: -919.528 Base-Backbone interact. energy: 0.148 local terms energy: -967.372083 where: bonds (distance) C4'-P energy: -167.642 bonds (distance) P-C4' energy: -172.601 flat angles C4'-P-C4' energy: -210.852 flat angles P-C4'-P energy: -148.201 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: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2798.834754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.834754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.834754 (E_RNA) where: Base-Base interactions energy: -1878.116 where: short stacking energy: -858.136 Base-Backbone interact. energy: -4.710 local terms energy: -916.009227 where: bonds (distance) C4'-P energy: -164.231 bonds (distance) P-C4' energy: -171.849 flat angles C4'-P-C4' energy: -195.687 flat angles P-C4'-P energy: -138.714 tors. eta vs tors. theta energy: -245.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2564.737103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.737103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.737103 (E_RNA) where: Base-Base interactions energy: -1724.955 where: short stacking energy: -762.516 Base-Backbone interact. energy: -4.815 local terms energy: -834.966831 where: bonds (distance) C4'-P energy: -176.287 bonds (distance) P-C4' energy: -188.912 flat angles C4'-P-C4' energy: -169.616 flat angles P-C4'-P energy: -115.347 tors. eta vs tors. theta energy: -184.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2442.686322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.686322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.686322 (E_RNA) where: Base-Base interactions energy: -1684.176 where: short stacking energy: -739.026 Base-Backbone interact. energy: -3.566 local terms energy: -754.944252 where: bonds (distance) C4'-P energy: -155.013 bonds (distance) P-C4' energy: -156.544 flat angles C4'-P-C4' energy: -172.252 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -180.216 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: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2101.043839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.043839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.043839 (E_RNA) where: Base-Base interactions energy: -1355.487 where: short stacking energy: -599.059 Base-Backbone interact. energy: -3.536 local terms energy: -742.020283 where: bonds (distance) C4'-P energy: -161.907 bonds (distance) P-C4' energy: -167.260 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -139.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1925.126286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.126286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.126286 (E_RNA) where: Base-Base interactions energy: -1271.631 where: short stacking energy: -537.092 Base-Backbone interact. energy: -3.145 local terms energy: -650.350230 where: bonds (distance) C4'-P energy: -137.706 bonds (distance) P-C4' energy: -147.282 flat angles C4'-P-C4' energy: -140.338 flat angles P-C4'-P energy: -105.201 tors. eta vs tors. theta energy: -119.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1755.791233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.791233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.791233 (E_RNA) where: Base-Base interactions energy: -1092.318 where: short stacking energy: -527.235 Base-Backbone interact. energy: 6.135 local terms energy: -669.608222 where: bonds (distance) C4'-P energy: -135.573 bonds (distance) P-C4' energy: -158.649 flat angles C4'-P-C4' energy: -167.175 flat angles P-C4'-P energy: -89.487 tors. eta vs tors. theta energy: -118.724 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: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1119.365946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.365946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.365946 (E_RNA) where: Base-Base interactions energy: -601.325 where: short stacking energy: -333.150 Base-Backbone interact. energy: 1.143 local terms energy: -519.184215 where: bonds (distance) C4'-P energy: -147.561 bonds (distance) P-C4' energy: -149.754 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -34.666 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: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -838.367926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.367926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.367926 (E_RNA) where: Base-Base interactions energy: -395.085 where: short stacking energy: -238.098 Base-Backbone interact. energy: 0.629 local terms energy: -443.911756 where: bonds (distance) C4'-P energy: -137.377 bonds (distance) P-C4' energy: -140.629 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -62.224 tors. eta vs tors. theta energy: 33.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3068.298315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.298315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.298315 (E_RNA) where: Base-Base interactions energy: -2088.891 where: short stacking energy: -920.081 Base-Backbone interact. energy: 0.168 local terms energy: -979.575293 where: bonds (distance) C4'-P energy: -178.782 bonds (distance) P-C4' energy: -194.485 flat angles C4'-P-C4' energy: -207.646 flat angles P-C4'-P energy: -137.169 tors. eta vs tors. theta energy: -261.493 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: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2949.099311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.099311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.099311 (E_RNA) where: Base-Base interactions energy: -1982.894 where: short stacking energy: -916.567 Base-Backbone interact. energy: 1.348 local terms energy: -967.553526 where: bonds (distance) C4'-P energy: -170.918 bonds (distance) P-C4' energy: -190.279 flat angles C4'-P-C4' energy: -207.432 flat angles P-C4'-P energy: -135.970 tors. eta vs tors. theta energy: -262.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2793.673238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.673238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.673238 (E_RNA) where: Base-Base interactions energy: -1915.116 where: short stacking energy: -863.366 Base-Backbone interact. energy: 5.712 local terms energy: -884.269363 where: bonds (distance) C4'-P energy: -168.787 bonds (distance) P-C4' energy: -171.980 flat angles C4'-P-C4' energy: -188.319 flat angles P-C4'-P energy: -107.303 tors. eta vs tors. theta energy: -247.880 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: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2501.440695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.440695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.440695 (E_RNA) where: Base-Base interactions energy: -1660.369 where: short stacking energy: -739.188 Base-Backbone interact. energy: 4.070 local terms energy: -845.141934 where: bonds (distance) C4'-P energy: -179.770 bonds (distance) P-C4' energy: -167.083 flat angles C4'-P-C4' energy: -188.675 flat angles P-C4'-P energy: -117.847 tors. eta vs tors. theta energy: -191.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2421.227856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.227856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.227856 (E_RNA) where: Base-Base interactions energy: -1645.365 where: short stacking energy: -707.315 Base-Backbone interact. energy: -1.208 local terms energy: -774.654799 where: bonds (distance) C4'-P energy: -156.957 bonds (distance) P-C4' energy: -159.303 flat angles C4'-P-C4' energy: -178.233 flat angles P-C4'-P energy: -111.929 tors. eta vs tors. theta energy: -168.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2096.393675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.393675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.393675 (E_RNA) where: Base-Base interactions energy: -1365.862 where: short stacking energy: -591.983 Base-Backbone interact. energy: -2.366 local terms energy: -728.165157 where: bonds (distance) C4'-P energy: -147.728 bonds (distance) P-C4' energy: -153.276 flat angles C4'-P-C4' energy: -177.384 flat angles P-C4'-P energy: -110.132 tors. eta vs tors. theta energy: -139.646 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: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1843.622440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.622440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.622440 (E_RNA) where: Base-Base interactions energy: -1186.906 where: short stacking energy: -531.809 Base-Backbone interact. energy: -3.372 local terms energy: -653.344386 where: bonds (distance) C4'-P energy: -143.274 bonds (distance) P-C4' energy: -157.024 flat angles C4'-P-C4' energy: -159.595 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -104.291 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: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1752.010408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.010408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.010408 (E_RNA) where: Base-Base interactions energy: -1109.563 where: short stacking energy: -497.225 Base-Backbone interact. energy: -0.040 local terms energy: -642.406883 where: bonds (distance) C4'-P energy: -145.404 bonds (distance) P-C4' energy: -148.387 flat angles C4'-P-C4' energy: -155.611 flat angles P-C4'-P energy: -99.657 tors. eta vs tors. theta energy: -93.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1063.488935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.488935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.488935 (E_RNA) where: Base-Base interactions energy: -552.345 where: short stacking energy: -309.879 Base-Backbone interact. energy: 3.350 local terms energy: -514.494280 where: bonds (distance) C4'-P energy: -156.297 bonds (distance) P-C4' energy: -141.384 flat angles C4'-P-C4' energy: -127.196 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -839.076971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.076971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.076971 (E_RNA) where: Base-Base interactions energy: -380.292 where: short stacking energy: -235.653 Base-Backbone interact. energy: -0.869 local terms energy: -457.915218 where: bonds (distance) C4'-P energy: -131.455 bonds (distance) P-C4' energy: -145.766 flat angles C4'-P-C4' energy: -131.927 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: 18.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3081.898740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.898740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.898740 (E_RNA) where: Base-Base interactions energy: -2112.815 where: short stacking energy: -916.309 Base-Backbone interact. energy: 0.672 local terms energy: -969.755388 where: bonds (distance) C4'-P energy: -171.103 bonds (distance) P-C4' energy: -187.968 flat angles C4'-P-C4' energy: -207.862 flat angles P-C4'-P energy: -143.234 tors. eta vs tors. theta energy: -259.588 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2939.331379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.331379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.331379 (E_RNA) where: Base-Base interactions energy: -2002.563 where: short stacking energy: -898.597 Base-Backbone interact. energy: -0.783 local terms energy: -935.985896 where: bonds (distance) C4'-P energy: -155.200 bonds (distance) P-C4' energy: -185.357 flat angles C4'-P-C4' energy: -193.641 flat angles P-C4'-P energy: -143.190 tors. eta vs tors. theta energy: -258.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2811.901699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.901699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.901699 (E_RNA) where: Base-Base interactions energy: -1904.813 where: short stacking energy: -869.876 Base-Backbone interact. energy: -3.905 local terms energy: -903.183872 where: bonds (distance) C4'-P energy: -158.171 bonds (distance) P-C4' energy: -156.286 flat angles C4'-P-C4' energy: -199.785 flat angles P-C4'-P energy: -140.104 tors. eta vs tors. theta energy: -248.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2537.247271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.247271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.247271 (E_RNA) where: Base-Base interactions energy: -1719.869 where: short stacking energy: -715.610 Base-Backbone interact. energy: -1.274 local terms energy: -816.104752 where: bonds (distance) C4'-P energy: -160.464 bonds (distance) P-C4' energy: -175.425 flat angles C4'-P-C4' energy: -186.996 flat angles P-C4'-P energy: -112.677 tors. eta vs tors. theta energy: -180.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2434.476318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.476318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.476318 (E_RNA) where: Base-Base interactions energy: -1636.210 where: short stacking energy: -727.053 Base-Backbone interact. energy: -1.300 local terms energy: -796.966815 where: bonds (distance) C4'-P energy: -162.008 bonds (distance) P-C4' energy: -166.255 flat angles C4'-P-C4' energy: -172.995 flat angles P-C4'-P energy: -108.197 tors. eta vs tors. theta energy: -187.512 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2157.550743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.550743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.550743 (E_RNA) where: Base-Base interactions energy: -1418.595 where: short stacking energy: -633.691 Base-Backbone interact. energy: -2.179 local terms energy: -736.776952 where: bonds (distance) C4'-P energy: -160.053 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -172.958 flat angles P-C4'-P energy: -124.010 tors. eta vs tors. theta energy: -136.488 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: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1879.742099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.742099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.742099 (E_RNA) where: Base-Base interactions energy: -1191.114 where: short stacking energy: -574.992 Base-Backbone interact. energy: -1.496 local terms energy: -687.131626 where: bonds (distance) C4'-P energy: -157.909 bonds (distance) P-C4' energy: -160.835 flat angles C4'-P-C4' energy: -156.146 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -114.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1750.816583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.816583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.816583 (E_RNA) where: Base-Base interactions energy: -1137.482 where: short stacking energy: -504.052 Base-Backbone interact. energy: -2.894 local terms energy: -610.440923 where: bonds (distance) C4'-P energy: -133.827 bonds (distance) P-C4' energy: -165.032 flat angles C4'-P-C4' energy: -151.490 flat angles P-C4'-P energy: -74.035 tors. eta vs tors. theta energy: -86.057 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: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1082.917142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.917142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.917142 (E_RNA) where: Base-Base interactions energy: -561.156 where: short stacking energy: -306.870 Base-Backbone interact. energy: 3.805 local terms energy: -525.566306 where: bonds (distance) C4'-P energy: -137.317 bonds (distance) P-C4' energy: -146.228 flat angles C4'-P-C4' energy: -138.753 flat angles P-C4'-P energy: -85.659 tors. eta vs tors. theta energy: -17.610 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: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -850.112248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.112248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.112248 (E_RNA) where: Base-Base interactions energy: -384.165 where: short stacking energy: -248.441 Base-Backbone interact. energy: -1.726 local terms energy: -464.221154 where: bonds (distance) C4'-P energy: -134.416 bonds (distance) P-C4' energy: -143.315 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: 12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3094.866039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.866039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.866039 (E_RNA) where: Base-Base interactions energy: -2117.808 where: short stacking energy: -952.784 Base-Backbone interact. energy: -3.108 local terms energy: -973.950506 where: bonds (distance) C4'-P energy: -184.964 bonds (distance) P-C4' energy: -179.230 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -145.375 tors. eta vs tors. theta energy: -269.056 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2951.105078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.105078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.105078 (E_RNA) where: Base-Base interactions energy: -2016.782 where: short stacking energy: -908.357 Base-Backbone interact. energy: -2.739 local terms energy: -931.583923 where: bonds (distance) C4'-P energy: -163.945 bonds (distance) P-C4' energy: -167.552 flat angles C4'-P-C4' energy: -198.278 flat angles P-C4'-P energy: -131.679 tors. eta vs tors. theta energy: -270.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2794.583359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.583359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.583359 (E_RNA) where: Base-Base interactions energy: -1878.280 where: short stacking energy: -847.767 Base-Backbone interact. energy: 0.194 local terms energy: -916.497113 where: bonds (distance) C4'-P energy: -156.002 bonds (distance) P-C4' energy: -165.784 flat angles C4'-P-C4' energy: -196.759 flat angles P-C4'-P energy: -141.364 tors. eta vs tors. theta energy: -256.588 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: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2554.330395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.330395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.330395 (E_RNA) where: Base-Base interactions energy: -1687.273 where: short stacking energy: -737.008 Base-Backbone interact. energy: -0.097 local terms energy: -866.960559 where: bonds (distance) C4'-P energy: -170.683 bonds (distance) P-C4' energy: -173.898 flat angles C4'-P-C4' energy: -185.454 flat angles P-C4'-P energy: -129.849 tors. eta vs tors. theta energy: -207.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2401.197834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.197834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.197834 (E_RNA) where: Base-Base interactions energy: -1586.505 where: short stacking energy: -708.135 Base-Backbone interact. energy: -0.139 local terms energy: -814.553551 where: bonds (distance) C4'-P energy: -169.575 bonds (distance) P-C4' energy: -172.310 flat angles C4'-P-C4' energy: -175.077 flat angles P-C4'-P energy: -111.624 tors. eta vs tors. theta energy: -185.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2127.578724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.578724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.578724 (E_RNA) where: Base-Base interactions energy: -1405.677 where: short stacking energy: -587.920 Base-Backbone interact. energy: -3.673 local terms energy: -718.228847 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -166.409 flat angles C4'-P-C4' energy: -164.055 flat angles P-C4'-P energy: -116.574 tors. eta vs tors. theta energy: -118.120 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: 225 Temperature: 1.200000 Total energy: -1845.460351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.460351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.460351 (E_RNA) where: Base-Base interactions energy: -1182.788 where: short stacking energy: -537.153 Base-Backbone interact. energy: 0.266 local terms energy: -662.937664 where: bonds (distance) C4'-P energy: -142.873 bonds (distance) P-C4' energy: -145.680 flat angles C4'-P-C4' energy: -175.763 flat angles P-C4'-P energy: -99.981 tors. eta vs tors. theta energy: -98.641 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: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1753.189643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.189643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.189643 (E_RNA) where: Base-Base interactions energy: -1109.803 where: short stacking energy: -500.616 Base-Backbone interact. energy: -1.318 local terms energy: -642.068543 where: bonds (distance) C4'-P energy: -144.771 bonds (distance) P-C4' energy: -156.414 flat angles C4'-P-C4' energy: -142.139 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -102.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1066.040761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.040761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.040761 (E_RNA) where: Base-Base interactions energy: -546.199 where: short stacking energy: -329.792 Base-Backbone interact. energy: -2.499 local terms energy: -517.343091 where: bonds (distance) C4'-P energy: -143.442 bonds (distance) P-C4' energy: -144.841 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: -11.838 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: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -895.896808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.896808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.896808 (E_RNA) where: Base-Base interactions energy: -402.306 where: short stacking energy: -220.945 Base-Backbone interact. energy: -0.898 local terms energy: -492.692574 where: bonds (distance) C4'-P energy: -136.387 bonds (distance) P-C4' energy: -161.206 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -86.028 tors. eta vs tors. theta energy: 23.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3115.923153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.923153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.923153 (E_RNA) where: Base-Base interactions energy: -2127.764 where: short stacking energy: -961.786 Base-Backbone interact. energy: -2.296 local terms energy: -985.863680 where: bonds (distance) C4'-P energy: -182.577 bonds (distance) P-C4' energy: -168.271 flat angles C4'-P-C4' energy: -207.705 flat angles P-C4'-P energy: -134.131 tors. eta vs tors. theta energy: -293.179 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: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2962.290112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.290112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.290112 (E_RNA) where: Base-Base interactions energy: -2010.804 where: short stacking energy: -918.874 Base-Backbone interact. energy: -1.113 local terms energy: -950.373529 where: bonds (distance) C4'-P energy: -167.333 bonds (distance) P-C4' energy: -166.484 flat angles C4'-P-C4' energy: -203.216 flat angles P-C4'-P energy: -149.980 tors. eta vs tors. theta energy: -263.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2759.116935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.116935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.116935 (E_RNA) where: Base-Base interactions energy: -1902.535 where: short stacking energy: -852.864 Base-Backbone interact. energy: -3.308 local terms energy: -853.274170 where: bonds (distance) C4'-P energy: -154.749 bonds (distance) P-C4' energy: -163.892 flat angles C4'-P-C4' energy: -187.652 flat angles P-C4'-P energy: -128.094 tors. eta vs tors. theta energy: -218.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2535.953518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.953518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.953518 (E_RNA) where: Base-Base interactions energy: -1710.730 where: short stacking energy: -748.821 Base-Backbone interact. energy: 1.563 local terms energy: -826.786924 where: bonds (distance) C4'-P energy: -164.156 bonds (distance) P-C4' energy: -170.429 flat angles C4'-P-C4' energy: -184.898 flat angles P-C4'-P energy: -128.212 tors. eta vs tors. theta energy: -179.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2420.236016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.236016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.236016 (E_RNA) where: Base-Base interactions energy: -1643.908 where: short stacking energy: -697.101 Base-Backbone interact. energy: 2.059 local terms energy: -778.387455 where: bonds (distance) C4'-P energy: -152.776 bonds (distance) P-C4' energy: -140.273 flat angles C4'-P-C4' energy: -176.496 flat angles P-C4'-P energy: -125.607 tors. eta vs tors. theta energy: -183.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2186.104530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.104530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.104530 (E_RNA) where: Base-Base interactions energy: -1460.404 where: short stacking energy: -628.876 Base-Backbone interact. energy: -3.023 local terms energy: -722.677645 where: bonds (distance) C4'-P energy: -145.020 bonds (distance) P-C4' energy: -161.833 flat angles C4'-P-C4' energy: -168.636 flat angles P-C4'-P energy: -89.058 tors. eta vs tors. theta energy: -158.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1865.035120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.035120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.035120 (E_RNA) where: Base-Base interactions energy: -1168.886 where: short stacking energy: -565.659 Base-Backbone interact. energy: 8.017 local terms energy: -704.165535 where: bonds (distance) C4'-P energy: -150.628 bonds (distance) P-C4' energy: -172.919 flat angles C4'-P-C4' energy: -164.108 flat angles P-C4'-P energy: -101.095 tors. eta vs tors. theta energy: -115.416 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: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1716.042603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.042603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.042603 (E_RNA) where: Base-Base interactions energy: -1107.030 where: short stacking energy: -478.456 Base-Backbone interact. energy: -0.301 local terms energy: -608.712252 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -149.925 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -83.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1029.567199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.567199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.567199 (E_RNA) where: Base-Base interactions energy: -513.096 where: short stacking energy: -274.102 Base-Backbone interact. energy: 5.215 local terms energy: -521.686778 where: bonds (distance) C4'-P energy: -140.920 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -149.318 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -917.057756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.057756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.057756 (E_RNA) where: Base-Base interactions energy: -449.724 where: short stacking energy: -277.080 Base-Backbone interact. energy: 5.246 local terms energy: -472.579214 where: bonds (distance) C4'-P energy: -107.311 bonds (distance) P-C4' energy: -142.061 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3072.007314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.007314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.007314 (E_RNA) where: Base-Base interactions energy: -2113.062 where: short stacking energy: -909.460 Base-Backbone interact. energy: -4.431 local terms energy: -954.514494 where: bonds (distance) C4'-P energy: -172.164 bonds (distance) P-C4' energy: -179.484 flat angles C4'-P-C4' energy: -208.252 flat angles P-C4'-P energy: -134.563 tors. eta vs tors. theta energy: -260.051 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: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2993.289711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.289711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.289711 (E_RNA) where: Base-Base interactions energy: -2045.126 where: short stacking energy: -926.784 Base-Backbone interact. energy: 1.844 local terms energy: -950.007896 where: bonds (distance) C4'-P energy: -177.274 bonds (distance) P-C4' energy: -186.947 flat angles C4'-P-C4' energy: -185.273 flat angles P-C4'-P energy: -146.154 tors. eta vs tors. theta energy: -254.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2776.595218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.595218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.595218 (E_RNA) where: Base-Base interactions energy: -1853.726 where: short stacking energy: -810.601 Base-Backbone interact. energy: -0.762 local terms energy: -922.107852 where: bonds (distance) C4'-P energy: -191.298 bonds (distance) P-C4' energy: -181.985 flat angles C4'-P-C4' energy: -186.963 flat angles P-C4'-P energy: -131.271 tors. eta vs tors. theta energy: -230.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2491.794577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.794577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.794577 (E_RNA) where: Base-Base interactions energy: -1714.114 where: short stacking energy: -708.372 Base-Backbone interact. energy: -3.383 local terms energy: -774.297412 where: bonds (distance) C4'-P energy: -151.408 bonds (distance) P-C4' energy: -181.977 flat angles C4'-P-C4' energy: -159.952 flat angles P-C4'-P energy: -105.738 tors. eta vs tors. theta energy: -175.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2430.485088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.485088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.485088 (E_RNA) where: Base-Base interactions energy: -1664.424 where: short stacking energy: -722.701 Base-Backbone interact. energy: -1.609 local terms energy: -764.452443 where: bonds (distance) C4'-P energy: -147.690 bonds (distance) P-C4' energy: -158.137 flat angles C4'-P-C4' energy: -182.056 flat angles P-C4'-P energy: -107.136 tors. eta vs tors. theta energy: -169.435 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: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2215.637722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.637722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.637722 (E_RNA) where: Base-Base interactions energy: -1438.765 where: short stacking energy: -652.398 Base-Backbone interact. energy: 2.452 local terms energy: -779.325546 where: bonds (distance) C4'-P energy: -153.515 bonds (distance) P-C4' energy: -172.885 flat angles C4'-P-C4' energy: -172.846 flat angles P-C4'-P energy: -109.631 tors. eta vs tors. theta energy: -170.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1878.099446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.099446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.099446 (E_RNA) where: Base-Base interactions energy: -1213.067 where: short stacking energy: -562.327 Base-Backbone interact. energy: -2.279 local terms energy: -662.753704 where: bonds (distance) C4'-P energy: -153.344 bonds (distance) P-C4' energy: -169.594 flat angles C4'-P-C4' energy: -131.161 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -107.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1734.448504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.448504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.448504 (E_RNA) where: Base-Base interactions energy: -1078.535 where: short stacking energy: -445.241 Base-Backbone interact. energy: -1.346 local terms energy: -654.567636 where: bonds (distance) C4'-P energy: -151.976 bonds (distance) P-C4' energy: -152.059 flat angles C4'-P-C4' energy: -160.348 flat angles P-C4'-P energy: -107.595 tors. eta vs tors. theta energy: -82.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1010.038869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.038869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.038869 (E_RNA) where: Base-Base interactions energy: -503.800 where: short stacking energy: -312.932 Base-Backbone interact. energy: -1.083 local terms energy: -505.155741 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -138.243 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -24.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -935.616072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.616072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.616072 (E_RNA) where: Base-Base interactions energy: -460.837 where: short stacking energy: -254.055 Base-Backbone interact. energy: -1.529 local terms energy: -473.250049 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -155.235 flat angles C4'-P-C4' energy: -126.919 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: 7.332 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: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3081.076625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.076625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.076625 (E_RNA) where: Base-Base interactions energy: -2096.446 where: short stacking energy: -932.369 Base-Backbone interact. energy: -9.543 local terms energy: -975.087478 where: bonds (distance) C4'-P energy: -177.130 bonds (distance) P-C4' energy: -167.455 flat angles C4'-P-C4' energy: -209.318 flat angles P-C4'-P energy: -141.617 tors. eta vs tors. theta energy: -279.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2983.197656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.197656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.197656 (E_RNA) where: Base-Base interactions energy: -2021.865 where: short stacking energy: -921.847 Base-Backbone interact. energy: -1.474 local terms energy: -959.858901 where: bonds (distance) C4'-P energy: -177.182 bonds (distance) P-C4' energy: -172.206 flat angles C4'-P-C4' energy: -202.849 flat angles P-C4'-P energy: -140.539 tors. eta vs tors. theta energy: -267.083 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: 228 Temperature: 1.000000 Total energy: -2817.403945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.403945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.403945 (E_RNA) where: Base-Base interactions energy: -1925.138 where: short stacking energy: -853.314 Base-Backbone interact. energy: -1.450 local terms energy: -890.816831 where: bonds (distance) C4'-P energy: -170.805 bonds (distance) P-C4' energy: -178.456 flat angles C4'-P-C4' energy: -188.977 flat angles P-C4'-P energy: -117.476 tors. eta vs tors. theta energy: -235.104 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: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2511.652719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.652719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.652719 (E_RNA) where: Base-Base interactions energy: -1701.972 where: short stacking energy: -726.133 Base-Backbone interact. energy: -4.114 local terms energy: -805.566405 where: bonds (distance) C4'-P energy: -144.388 bonds (distance) P-C4' energy: -153.776 flat angles C4'-P-C4' energy: -187.844 flat angles P-C4'-P energy: -133.065 tors. eta vs tors. theta energy: -186.493 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: 228 Temperature: 1.100000 Total energy: -2392.160807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.160807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.160807 (E_RNA) where: Base-Base interactions energy: -1621.862 where: short stacking energy: -742.343 Base-Backbone interact. energy: 0.724 local terms energy: -771.022436 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -167.590 flat angles C4'-P-C4' energy: -180.516 flat angles P-C4'-P energy: -116.853 tors. eta vs tors. theta energy: -169.433 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2211.014402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.014402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.014402 (E_RNA) where: Base-Base interactions energy: -1509.802 where: short stacking energy: -654.035 Base-Backbone interact. energy: 3.689 local terms energy: -704.901386 where: bonds (distance) C4'-P energy: -125.099 bonds (distance) P-C4' energy: -154.664 flat angles C4'-P-C4' energy: -166.355 flat angles P-C4'-P energy: -109.478 tors. eta vs tors. theta energy: -149.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1849.597291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.597291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.597291 (E_RNA) where: Base-Base interactions energy: -1192.030 where: short stacking energy: -530.940 Base-Backbone interact. energy: 2.501 local terms energy: -660.067991 where: bonds (distance) C4'-P energy: -134.406 bonds (distance) P-C4' energy: -146.937 flat angles C4'-P-C4' energy: -165.380 flat angles P-C4'-P energy: -100.583 tors. eta vs tors. theta energy: -112.763 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: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1668.842391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.842391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.842391 (E_RNA) where: Base-Base interactions energy: -1044.856 where: short stacking energy: -488.934 Base-Backbone interact. energy: 0.170 local terms energy: -624.156457 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -124.790 flat angles C4'-P-C4' energy: -166.018 flat angles P-C4'-P energy: -105.934 tors. eta vs tors. theta energy: -77.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1022.198038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.198038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.198038 (E_RNA) where: Base-Base interactions energy: -487.328 where: short stacking energy: -255.755 Base-Backbone interact. energy: 6.037 local terms energy: -540.906221 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -140.985 flat angles P-C4'-P energy: -93.708 tors. eta vs tors. theta energy: 2.670 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: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -911.222966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.222966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.222966 (E_RNA) where: Base-Base interactions energy: -427.476 where: short stacking energy: -218.401 Base-Backbone interact. energy: 1.492 local terms energy: -485.238735 where: bonds (distance) C4'-P energy: -127.439 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -123.154 flat angles P-C4'-P energy: -86.358 tors. eta vs tors. theta energy: 9.816 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: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3079.142903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.142903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.142903 (E_RNA) where: Base-Base interactions energy: -2101.878 where: short stacking energy: -932.806 Base-Backbone interact. energy: -4.084 local terms energy: -973.180926 where: bonds (distance) C4'-P energy: -180.338 bonds (distance) P-C4' energy: -177.980 flat angles C4'-P-C4' energy: -205.760 flat angles P-C4'-P energy: -140.435 tors. eta vs tors. theta energy: -268.669 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: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2962.694116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.694116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.694116 (E_RNA) where: Base-Base interactions energy: -2033.868 where: short stacking energy: -935.426 Base-Backbone interact. energy: -2.011 local terms energy: -926.814545 where: bonds (distance) C4'-P energy: -170.480 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -193.893 flat angles P-C4'-P energy: -127.876 tors. eta vs tors. theta energy: -259.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2830.459109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.459109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.459109 (E_RNA) where: Base-Base interactions energy: -1912.463 where: short stacking energy: -836.148 Base-Backbone interact. energy: -2.943 local terms energy: -915.053754 where: bonds (distance) C4'-P energy: -177.559 bonds (distance) P-C4' energy: -176.540 flat angles C4'-P-C4' energy: -194.010 flat angles P-C4'-P energy: -134.397 tors. eta vs tors. theta energy: -232.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2535.296511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.296511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.296511 (E_RNA) where: Base-Base interactions energy: -1735.037 where: short stacking energy: -762.424 Base-Backbone interact. energy: -3.218 local terms energy: -797.041187 where: bonds (distance) C4'-P energy: -150.972 bonds (distance) P-C4' energy: -152.169 flat angles C4'-P-C4' energy: -184.810 flat angles P-C4'-P energy: -117.067 tors. eta vs tors. theta energy: -192.023 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: 229 Temperature: 1.100000 Total energy: -2438.844544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.844544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.844544 (E_RNA) where: Base-Base interactions energy: -1650.773 where: short stacking energy: -736.003 Base-Backbone interact. energy: -0.889 local terms energy: -787.181804 where: bonds (distance) C4'-P energy: -152.119 bonds (distance) P-C4' energy: -164.763 flat angles C4'-P-C4' energy: -179.712 flat angles P-C4'-P energy: -115.200 tors. eta vs tors. theta energy: -175.389 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: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2178.928502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.928502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.928502 (E_RNA) where: Base-Base interactions energy: -1479.481 where: short stacking energy: -618.691 Base-Backbone interact. energy: -1.867 local terms energy: -697.580471 where: bonds (distance) C4'-P energy: -149.335 bonds (distance) P-C4' energy: -149.478 flat angles C4'-P-C4' energy: -165.894 flat angles P-C4'-P energy: -91.585 tors. eta vs tors. theta energy: -141.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1885.096953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.096953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.096953 (E_RNA) where: Base-Base interactions energy: -1216.555 where: short stacking energy: -557.978 Base-Backbone interact. energy: -5.074 local terms energy: -663.468023 where: bonds (distance) C4'-P energy: -134.423 bonds (distance) P-C4' energy: -155.924 flat angles C4'-P-C4' energy: -163.235 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -111.254 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: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1636.196181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.196181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.196181 (E_RNA) where: Base-Base interactions energy: -1033.223 where: short stacking energy: -498.943 Base-Backbone interact. energy: 0.472 local terms energy: -603.444703 where: bonds (distance) C4'-P energy: -152.654 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -138.316 flat angles P-C4'-P energy: -93.116 tors. eta vs tors. theta energy: -79.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1073.980569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.980569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.980569 (E_RNA) where: Base-Base interactions energy: -568.066 where: short stacking energy: -297.173 Base-Backbone interact. energy: -1.953 local terms energy: -503.961263 where: bonds (distance) C4'-P energy: -128.982 bonds (distance) P-C4' energy: -166.290 flat angles C4'-P-C4' energy: -126.908 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -890.691715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.691715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.691715 (E_RNA) where: Base-Base interactions energy: -442.072 where: short stacking energy: -268.036 Base-Backbone interact. energy: 3.112 local terms energy: -451.732110 where: bonds (distance) C4'-P energy: -134.580 bonds (distance) P-C4' energy: -135.596 flat angles C4'-P-C4' energy: -113.649 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: 5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3072.546994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.546994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.546994 (E_RNA) where: Base-Base interactions energy: -2094.370 where: short stacking energy: -942.669 Base-Backbone interact. energy: -2.616 local terms energy: -975.561616 where: bonds (distance) C4'-P energy: -190.189 bonds (distance) P-C4' energy: -181.738 flat angles C4'-P-C4' energy: -201.241 flat angles P-C4'-P energy: -129.203 tors. eta vs tors. theta energy: -273.191 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2986.104707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.104707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.104707 (E_RNA) where: Base-Base interactions energy: -2018.505 where: short stacking energy: -907.228 Base-Backbone interact. energy: -1.954 local terms energy: -965.646145 where: bonds (distance) C4'-P energy: -182.648 bonds (distance) P-C4' energy: -166.479 flat angles C4'-P-C4' energy: -206.179 flat angles P-C4'-P energy: -148.977 tors. eta vs tors. theta energy: -261.363 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: 230 Temperature: 1.000000 Total energy: -2773.600145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.600145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.600145 (E_RNA) where: Base-Base interactions energy: -1864.966 where: short stacking energy: -830.972 Base-Backbone interact. energy: -1.259 local terms energy: -907.375094 where: bonds (distance) C4'-P energy: -171.583 bonds (distance) P-C4' energy: -182.007 flat angles C4'-P-C4' energy: -199.521 flat angles P-C4'-P energy: -117.274 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: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2456.974386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.974386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.974386 (E_RNA) where: Base-Base interactions energy: -1703.718 where: short stacking energy: -704.789 Base-Backbone interact. energy: -2.922 local terms energy: -750.334548 where: bonds (distance) C4'-P energy: -157.246 bonds (distance) P-C4' energy: -148.309 flat angles C4'-P-C4' energy: -166.198 flat angles P-C4'-P energy: -110.565 tors. eta vs tors. theta energy: -168.017 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: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2399.091412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.091412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.091412 (E_RNA) where: Base-Base interactions energy: -1598.803 where: short stacking energy: -723.677 Base-Backbone interact. energy: -2.077 local terms energy: -798.211432 where: bonds (distance) C4'-P energy: -165.994 bonds (distance) P-C4' energy: -173.654 flat angles C4'-P-C4' energy: -192.587 flat angles P-C4'-P energy: -108.137 tors. eta vs tors. theta energy: -157.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2186.837840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.837840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.837840 (E_RNA) where: Base-Base interactions energy: -1457.683 where: short stacking energy: -606.970 Base-Backbone interact. energy: -4.503 local terms energy: -724.652520 where: bonds (distance) C4'-P energy: -147.867 bonds (distance) P-C4' energy: -160.740 flat angles C4'-P-C4' energy: -166.618 flat angles P-C4'-P energy: -102.248 tors. eta vs tors. theta energy: -147.180 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: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1864.211224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.211224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.211224 (E_RNA) where: Base-Base interactions energy: -1153.823 where: short stacking energy: -556.569 Base-Backbone interact. energy: -1.640 local terms energy: -708.748474 where: bonds (distance) C4'-P energy: -151.339 bonds (distance) P-C4' energy: -166.675 flat angles C4'-P-C4' energy: -177.875 flat angles P-C4'-P energy: -91.115 tors. eta vs tors. theta energy: -121.744 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: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1720.007482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.007482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.007482 (E_RNA) where: Base-Base interactions energy: -1131.997 where: short stacking energy: -488.373 Base-Backbone interact. energy: 8.813 local terms energy: -596.824232 where: bonds (distance) C4'-P energy: -153.529 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -157.132 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -74.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1071.530895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.530895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.530895 (E_RNA) where: Base-Base interactions energy: -602.005 where: short stacking energy: -342.333 Base-Backbone interact. energy: -1.777 local terms energy: -467.749153 where: bonds (distance) C4'-P energy: -128.114 bonds (distance) P-C4' energy: -137.811 flat angles C4'-P-C4' energy: -115.860 flat angles P-C4'-P energy: -64.453 tors. eta vs tors. theta energy: -21.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -827.582831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.582831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.582831 (E_RNA) where: Base-Base interactions energy: -367.501 where: short stacking energy: -222.300 Base-Backbone interact. energy: -1.059 local terms energy: -459.022270 where: bonds (distance) C4'-P energy: -132.818 bonds (distance) P-C4' energy: -151.863 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -77.608 tors. eta vs tors. theta energy: 28.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3117.665061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.665061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.665061 (E_RNA) where: Base-Base interactions energy: -2139.966 where: short stacking energy: -952.714 Base-Backbone interact. energy: -2.975 local terms energy: -974.724584 where: bonds (distance) C4'-P energy: -170.670 bonds (distance) P-C4' energy: -183.908 flat angles C4'-P-C4' energy: -202.949 flat angles P-C4'-P energy: -144.567 tors. eta vs tors. theta energy: -272.631 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: 231 Temperature: 0.950000 Total energy: -2966.634144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.634144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.634144 (E_RNA) where: Base-Base interactions energy: -2023.152 where: short stacking energy: -932.163 Base-Backbone interact. energy: -2.934 local terms energy: -940.548405 where: bonds (distance) C4'-P energy: -172.038 bonds (distance) P-C4' energy: -178.816 flat angles C4'-P-C4' energy: -201.473 flat angles P-C4'-P energy: -133.913 tors. eta vs tors. theta energy: -254.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2855.343348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.343348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.343348 (E_RNA) where: Base-Base interactions energy: -1921.420 where: short stacking energy: -862.779 Base-Backbone interact. energy: -1.238 local terms energy: -932.684967 where: bonds (distance) C4'-P energy: -178.922 bonds (distance) P-C4' energy: -180.195 flat angles C4'-P-C4' energy: -201.779 flat angles P-C4'-P energy: -136.457 tors. eta vs tors. theta energy: -235.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2474.530810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.530810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.530810 (E_RNA) where: Base-Base interactions energy: -1693.818 where: short stacking energy: -727.966 Base-Backbone interact. energy: -1.466 local terms energy: -779.247046 where: bonds (distance) C4'-P energy: -164.815 bonds (distance) P-C4' energy: -166.143 flat angles C4'-P-C4' energy: -178.239 flat angles P-C4'-P energy: -102.068 tors. eta vs tors. theta energy: -167.982 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: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2404.796569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.796569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.796569 (E_RNA) where: Base-Base interactions energy: -1608.380 where: short stacking energy: -714.794 Base-Backbone interact. energy: -2.777 local terms energy: -793.639936 where: bonds (distance) C4'-P energy: -144.672 bonds (distance) P-C4' energy: -168.746 flat angles C4'-P-C4' energy: -183.085 flat angles P-C4'-P energy: -116.657 tors. eta vs tors. theta energy: -180.481 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: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2146.043080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.043080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.043080 (E_RNA) where: Base-Base interactions energy: -1421.831 where: short stacking energy: -613.709 Base-Backbone interact. energy: -0.921 local terms energy: -723.290639 where: bonds (distance) C4'-P energy: -151.835 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -165.392 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -151.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1841.944052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.944052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.944052 (E_RNA) where: Base-Base interactions energy: -1200.903 where: short stacking energy: -557.079 Base-Backbone interact. energy: 1.365 local terms energy: -642.405864 where: bonds (distance) C4'-P energy: -127.034 bonds (distance) P-C4' energy: -170.576 flat angles C4'-P-C4' energy: -132.537 flat angles P-C4'-P energy: -102.909 tors. eta vs tors. theta energy: -109.350 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: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1712.368948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.368948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.368948 (E_RNA) where: Base-Base interactions energy: -1138.437 where: short stacking energy: -499.144 Base-Backbone interact. energy: 5.956 local terms energy: -579.887942 where: bonds (distance) C4'-P energy: -134.566 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -130.984 flat angles P-C4'-P energy: -92.564 tors. eta vs tors. theta energy: -88.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1048.639157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.639157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.639157 (E_RNA) where: Base-Base interactions energy: -519.783 where: short stacking energy: -282.738 Base-Backbone interact. energy: 2.826 local terms energy: -531.681701 where: bonds (distance) C4'-P energy: -141.407 bonds (distance) P-C4' energy: -155.721 flat angles C4'-P-C4' energy: -133.403 flat angles P-C4'-P energy: -79.941 tors. eta vs tors. theta energy: -21.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -861.584901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.584901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.584901 (E_RNA) where: Base-Base interactions energy: -393.854 where: short stacking energy: -248.723 Base-Backbone interact. energy: 0.393 local terms energy: -468.124201 where: bonds (distance) C4'-P energy: -112.932 bonds (distance) P-C4' energy: -136.074 flat angles C4'-P-C4' energy: -132.714 flat angles P-C4'-P energy: -77.761 tors. eta vs tors. theta energy: -8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3140.405056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.405056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.405056 (E_RNA) where: Base-Base interactions energy: -2154.237 where: short stacking energy: -961.156 Base-Backbone interact. energy: -3.577 local terms energy: -982.590718 where: bonds (distance) C4'-P energy: -177.288 bonds (distance) P-C4' energy: -180.202 flat angles C4'-P-C4' energy: -214.298 flat angles P-C4'-P energy: -132.733 tors. eta vs tors. theta energy: -278.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2961.971559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.971559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.971559 (E_RNA) where: Base-Base interactions energy: -2052.579 where: short stacking energy: -933.693 Base-Backbone interact. energy: 0.799 local terms energy: -910.191370 where: bonds (distance) C4'-P energy: -166.445 bonds (distance) P-C4' energy: -162.875 flat angles C4'-P-C4' energy: -192.982 flat angles P-C4'-P energy: -132.058 tors. eta vs tors. theta energy: -255.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2880.234700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.234700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.234700 (E_RNA) where: Base-Base interactions energy: -1959.392 where: short stacking energy: -913.497 Base-Backbone interact. energy: -0.187 local terms energy: -920.656499 where: bonds (distance) C4'-P energy: -160.390 bonds (distance) P-C4' energy: -170.671 flat angles C4'-P-C4' energy: -197.423 flat angles P-C4'-P energy: -125.019 tors. eta vs tors. theta energy: -267.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2468.969748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.969748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.969748 (E_RNA) where: Base-Base interactions energy: -1628.650 where: short stacking energy: -684.697 Base-Backbone interact. energy: -3.031 local terms energy: -837.289027 where: bonds (distance) C4'-P energy: -166.637 bonds (distance) P-C4' energy: -178.316 flat angles C4'-P-C4' energy: -188.308 flat angles P-C4'-P energy: -122.601 tors. eta vs tors. theta energy: -181.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2414.038658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.038658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.038658 (E_RNA) where: Base-Base interactions energy: -1626.318 where: short stacking energy: -727.719 Base-Backbone interact. energy: 1.317 local terms energy: -789.037623 where: bonds (distance) C4'-P energy: -143.973 bonds (distance) P-C4' energy: -168.968 flat angles C4'-P-C4' energy: -175.887 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -188.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2177.317082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.317082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.317082 (E_RNA) where: Base-Base interactions energy: -1463.003 where: short stacking energy: -624.326 Base-Backbone interact. energy: 5.752 local terms energy: -720.065798 where: bonds (distance) C4'-P energy: -137.174 bonds (distance) P-C4' energy: -159.448 flat angles C4'-P-C4' energy: -175.768 flat angles P-C4'-P energy: -103.568 tors. eta vs tors. theta energy: -144.107 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: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1863.610916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.610916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.610916 (E_RNA) where: Base-Base interactions energy: -1221.641 where: short stacking energy: -563.005 Base-Backbone interact. energy: -2.529 local terms energy: -639.441354 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -149.023 flat angles C4'-P-C4' energy: -160.969 flat angles P-C4'-P energy: -87.476 tors. eta vs tors. theta energy: -104.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1639.860567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.860567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.860567 (E_RNA) where: Base-Base interactions energy: -1031.433 where: short stacking energy: -472.129 Base-Backbone interact. energy: 0.942 local terms energy: -609.368891 where: bonds (distance) C4'-P energy: -152.330 bonds (distance) P-C4' energy: -157.420 flat angles C4'-P-C4' energy: -149.294 flat angles P-C4'-P energy: -80.561 tors. eta vs tors. theta energy: -69.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -995.570317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.570317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.570317 (E_RNA) where: Base-Base interactions energy: -534.746 where: short stacking energy: -297.793 Base-Backbone interact. energy: -2.236 local terms energy: -458.587664 where: bonds (distance) C4'-P energy: -153.793 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -107.428 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: 7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -875.696059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.696059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.696059 (E_RNA) where: Base-Base interactions energy: -411.649 where: short stacking energy: -241.530 Base-Backbone interact. energy: -2.339 local terms energy: -461.708392 where: bonds (distance) C4'-P energy: -145.208 bonds (distance) P-C4' energy: -152.875 flat angles C4'-P-C4' energy: -122.275 flat angles P-C4'-P energy: -66.733 tors. eta vs tors. theta energy: 25.382 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: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3124.460043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.460043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.460043 (E_RNA) where: Base-Base interactions energy: -2136.186 where: short stacking energy: -958.783 Base-Backbone interact. energy: -3.380 local terms energy: -984.894536 where: bonds (distance) C4'-P energy: -188.997 bonds (distance) P-C4' energy: -177.561 flat angles C4'-P-C4' energy: -202.634 flat angles P-C4'-P energy: -136.015 tors. eta vs tors. theta energy: -279.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2972.132551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.132551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.132551 (E_RNA) where: Base-Base interactions energy: -2016.038 where: short stacking energy: -891.862 Base-Backbone interact. energy: -3.184 local terms energy: -952.910062 where: bonds (distance) C4'-P energy: -181.771 bonds (distance) P-C4' energy: -169.847 flat angles C4'-P-C4' energy: -209.702 flat angles P-C4'-P energy: -141.375 tors. eta vs tors. theta energy: -250.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2834.924431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.924431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.924431 (E_RNA) where: Base-Base interactions energy: -1925.960 where: short stacking energy: -881.035 Base-Backbone interact. energy: -3.632 local terms energy: -905.332258 where: bonds (distance) C4'-P energy: -160.672 bonds (distance) P-C4' energy: -182.302 flat angles C4'-P-C4' energy: -195.028 flat angles P-C4'-P energy: -128.881 tors. eta vs tors. theta energy: -238.449 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: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2488.270615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.270615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.270615 (E_RNA) where: Base-Base interactions energy: -1688.767 where: short stacking energy: -735.164 Base-Backbone interact. energy: 0.482 local terms energy: -799.986322 where: bonds (distance) C4'-P energy: -168.778 bonds (distance) P-C4' energy: -169.047 flat angles C4'-P-C4' energy: -169.061 flat angles P-C4'-P energy: -120.708 tors. eta vs tors. theta energy: -172.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2402.694363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.694363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.694363 (E_RNA) where: Base-Base interactions energy: -1638.268 where: short stacking energy: -709.084 Base-Backbone interact. energy: -0.396 local terms energy: -764.030310 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -172.927 flat angles C4'-P-C4' energy: -163.798 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -182.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2196.209522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.209522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.209522 (E_RNA) where: Base-Base interactions energy: -1493.367 where: short stacking energy: -626.349 Base-Backbone interact. energy: 0.504 local terms energy: -703.347195 where: bonds (distance) C4'-P energy: -139.100 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -175.345 flat angles P-C4'-P energy: -107.597 tors. eta vs tors. theta energy: -139.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1968.069655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.069655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.069655 (E_RNA) where: Base-Base interactions energy: -1288.862 where: short stacking energy: -580.967 Base-Backbone interact. energy: -4.233 local terms energy: -674.974584 where: bonds (distance) C4'-P energy: -142.126 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -166.297 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -127.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1595.416947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.416947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.416947 (E_RNA) where: Base-Base interactions energy: -993.394 where: short stacking energy: -453.987 Base-Backbone interact. energy: 1.388 local terms energy: -603.410756 where: bonds (distance) C4'-P energy: -155.366 bonds (distance) P-C4' energy: -152.335 flat angles C4'-P-C4' energy: -128.659 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -75.260 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: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -994.641142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.641142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.641142 (E_RNA) where: Base-Base interactions energy: -474.805 where: short stacking energy: -285.189 Base-Backbone interact. energy: 5.999 local terms energy: -525.834947 where: bonds (distance) C4'-P energy: -130.447 bonds (distance) P-C4' energy: -157.877 flat angles C4'-P-C4' energy: -130.641 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -17.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -843.544871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.544871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.544871 (E_RNA) where: Base-Base interactions energy: -398.665 where: short stacking energy: -220.077 Base-Backbone interact. energy: 6.788 local terms energy: -451.668458 where: bonds (distance) C4'-P energy: -130.008 bonds (distance) P-C4' energy: -162.319 flat angles C4'-P-C4' energy: -103.926 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: 21.225 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: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3107.164981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.164981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.164981 (E_RNA) where: Base-Base interactions energy: -2113.187 where: short stacking energy: -941.460 Base-Backbone interact. energy: -3.620 local terms energy: -990.358410 where: bonds (distance) C4'-P energy: -183.055 bonds (distance) P-C4' energy: -183.907 flat angles C4'-P-C4' energy: -204.611 flat angles P-C4'-P energy: -141.113 tors. eta vs tors. theta energy: -277.672 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: 234 Temperature: 0.950000 Total energy: -2929.900131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.900131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.900131 (E_RNA) where: Base-Base interactions energy: -2006.814 where: short stacking energy: -889.937 Base-Backbone interact. energy: -4.633 local terms energy: -918.453345 where: bonds (distance) C4'-P energy: -172.487 bonds (distance) P-C4' energy: -167.026 flat angles C4'-P-C4' energy: -201.234 flat angles P-C4'-P energy: -125.492 tors. eta vs tors. theta energy: -252.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2808.217194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.217194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.217194 (E_RNA) where: Base-Base interactions energy: -1908.544 where: short stacking energy: -868.831 Base-Backbone interact. energy: -1.020 local terms energy: -898.652970 where: bonds (distance) C4'-P energy: -164.193 bonds (distance) P-C4' energy: -167.831 flat angles C4'-P-C4' energy: -194.451 flat angles P-C4'-P energy: -129.054 tors. eta vs tors. theta energy: -243.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2458.750085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.750085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.750085 (E_RNA) where: Base-Base interactions energy: -1657.280 where: short stacking energy: -753.801 Base-Backbone interact. energy: 4.021 local terms energy: -805.491527 where: bonds (distance) C4'-P energy: -165.664 bonds (distance) P-C4' energy: -160.306 flat angles C4'-P-C4' energy: -183.125 flat angles P-C4'-P energy: -103.947 tors. eta vs tors. theta energy: -192.450 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: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2417.936093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.936093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.936093 (E_RNA) where: Base-Base interactions energy: -1632.568 where: short stacking energy: -729.542 Base-Backbone interact. energy: 0.159 local terms energy: -785.526346 where: bonds (distance) C4'-P energy: -147.216 bonds (distance) P-C4' energy: -163.440 flat angles C4'-P-C4' energy: -176.432 flat angles P-C4'-P energy: -113.193 tors. eta vs tors. theta energy: -185.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2253.486248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.486248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.486248 (E_RNA) where: Base-Base interactions energy: -1529.274 where: short stacking energy: -632.070 Base-Backbone interact. energy: -6.002 local terms energy: -718.209709 where: bonds (distance) C4'-P energy: -150.912 bonds (distance) P-C4' energy: -163.205 flat angles C4'-P-C4' energy: -164.391 flat angles P-C4'-P energy: -89.125 tors. eta vs tors. theta energy: -150.577 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: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1957.195250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.195250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.195250 (E_RNA) where: Base-Base interactions energy: -1260.595 where: short stacking energy: -576.246 Base-Backbone interact. energy: -3.034 local terms energy: -693.566334 where: bonds (distance) C4'-P energy: -136.335 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -172.798 flat angles P-C4'-P energy: -109.619 tors. eta vs tors. theta energy: -125.670 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: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1626.558741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.558741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.558741 (E_RNA) where: Base-Base interactions energy: -1021.248 where: short stacking energy: -475.098 Base-Backbone interact. energy: -0.990 local terms energy: -604.320780 where: bonds (distance) C4'-P energy: -142.083 bonds (distance) P-C4' energy: -169.240 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -77.019 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: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -931.678497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.678497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.678497 (E_RNA) where: Base-Base interactions energy: -439.032 where: short stacking energy: -264.440 Base-Backbone interact. energy: -4.272 local terms energy: -488.374179 where: bonds (distance) C4'-P energy: -153.114 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -127.605 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: -2.907 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: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -942.437858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.437858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.437858 (E_RNA) where: Base-Base interactions energy: -477.413 where: short stacking energy: -294.313 Base-Backbone interact. energy: -3.529 local terms energy: -461.496086 where: bonds (distance) C4'-P energy: -125.948 bonds (distance) P-C4' energy: -128.248 flat angles C4'-P-C4' energy: -143.187 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -6.126 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: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3103.209747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.209747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.209747 (E_RNA) where: Base-Base interactions energy: -2132.960 where: short stacking energy: -924.538 Base-Backbone interact. energy: -3.424 local terms energy: -966.825246 where: bonds (distance) C4'-P energy: -184.472 bonds (distance) P-C4' energy: -191.958 flat angles C4'-P-C4' energy: -193.586 flat angles P-C4'-P energy: -125.542 tors. eta vs tors. theta energy: -271.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2897.220553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.220553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.220553 (E_RNA) where: Base-Base interactions energy: -1986.021 where: short stacking energy: -882.537 Base-Backbone interact. energy: -2.579 local terms energy: -908.619967 where: bonds (distance) C4'-P energy: -152.679 bonds (distance) P-C4' energy: -187.446 flat angles C4'-P-C4' energy: -183.223 flat angles P-C4'-P energy: -126.953 tors. eta vs tors. theta energy: -258.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2812.160521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.160521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.160521 (E_RNA) where: Base-Base interactions energy: -1920.124 where: short stacking energy: -874.408 Base-Backbone interact. energy: -4.869 local terms energy: -887.167167 where: bonds (distance) C4'-P energy: -162.211 bonds (distance) P-C4' energy: -173.524 flat angles C4'-P-C4' energy: -188.428 flat angles P-C4'-P energy: -108.778 tors. eta vs tors. theta energy: -254.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2506.197591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.197591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.197591 (E_RNA) where: Base-Base interactions energy: -1680.810 where: short stacking energy: -731.731 Base-Backbone interact. energy: -0.493 local terms energy: -824.894909 where: bonds (distance) C4'-P energy: -165.828 bonds (distance) P-C4' energy: -188.591 flat angles C4'-P-C4' energy: -180.927 flat angles P-C4'-P energy: -114.719 tors. eta vs tors. theta energy: -174.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2383.109520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.109520 (E_RNA) where: Base-Base interactions energy: -1555.099 where: short stacking energy: -685.432 Base-Backbone interact. energy: -3.850 local terms energy: -824.160925 where: bonds (distance) C4'-P energy: -182.336 bonds (distance) P-C4' energy: -173.697 flat angles C4'-P-C4' energy: -174.311 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -182.051 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: 235 Temperature: 1.150000 Total energy: -2287.949932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.949932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.949932 (E_RNA) where: Base-Base interactions energy: -1547.174 where: short stacking energy: -650.791 Base-Backbone interact. energy: -4.457 local terms energy: -736.319513 where: bonds (distance) C4'-P energy: -158.877 bonds (distance) P-C4' energy: -168.989 flat angles C4'-P-C4' energy: -150.753 flat angles P-C4'-P energy: -103.412 tors. eta vs tors. theta energy: -154.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1966.498069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.498069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.498069 (E_RNA) where: Base-Base interactions energy: -1266.846 where: short stacking energy: -612.812 Base-Backbone interact. energy: -2.552 local terms energy: -697.099628 where: bonds (distance) C4'-P energy: -156.678 bonds (distance) P-C4' energy: -171.530 flat angles C4'-P-C4' energy: -150.513 flat angles P-C4'-P energy: -82.222 tors. eta vs tors. theta energy: -136.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1640.522631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.522631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.522631 (E_RNA) where: Base-Base interactions energy: -1034.890 where: short stacking energy: -501.080 Base-Backbone interact. energy: -0.588 local terms energy: -605.044819 where: bonds (distance) C4'-P energy: -124.391 bonds (distance) P-C4' energy: -147.045 flat angles C4'-P-C4' energy: -146.054 flat angles P-C4'-P energy: -85.009 tors. eta vs tors. theta energy: -102.546 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -939.994734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.994734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.994734 (E_RNA) where: Base-Base interactions energy: -427.454 where: short stacking energy: -279.967 Base-Backbone interact. energy: 1.827 local terms energy: -514.368318 where: bonds (distance) C4'-P energy: -172.108 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -108.688 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -869.447378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.447378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.447378 (E_RNA) where: Base-Base interactions energy: -414.173 where: short stacking energy: -239.237 Base-Backbone interact. energy: 5.960 local terms energy: -461.234716 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -130.970 flat angles C4'-P-C4' energy: -123.633 flat angles P-C4'-P energy: -81.060 tors. eta vs tors. theta energy: 16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3118.159190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.159190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.159190 (E_RNA) where: Base-Base interactions energy: -2128.964 where: short stacking energy: -913.313 Base-Backbone interact. energy: -1.473 local terms energy: -987.722463 where: bonds (distance) C4'-P energy: -176.018 bonds (distance) P-C4' energy: -179.347 flat angles C4'-P-C4' energy: -209.609 flat angles P-C4'-P energy: -152.825 tors. eta vs tors. theta energy: -269.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2940.442199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.442199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.442199 (E_RNA) where: Base-Base interactions energy: -1996.201 where: short stacking energy: -893.811 Base-Backbone interact. energy: -4.470 local terms energy: -939.771785 where: bonds (distance) C4'-P energy: -175.297 bonds (distance) P-C4' energy: -172.876 flat angles C4'-P-C4' energy: -200.941 flat angles P-C4'-P energy: -142.453 tors. eta vs tors. theta energy: -248.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2798.613441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.613441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.613441 (E_RNA) where: Base-Base interactions energy: -1885.259 where: short stacking energy: -836.073 Base-Backbone interact. energy: 1.035 local terms energy: -914.389907 where: bonds (distance) C4'-P energy: -175.156 bonds (distance) P-C4' energy: -169.854 flat angles C4'-P-C4' energy: -200.735 flat angles P-C4'-P energy: -127.005 tors. eta vs tors. theta energy: -241.640 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: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2503.235418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.235418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.235418 (E_RNA) where: Base-Base interactions energy: -1696.730 where: short stacking energy: -785.834 Base-Backbone interact. energy: -0.386 local terms energy: -806.119389 where: bonds (distance) C4'-P energy: -149.184 bonds (distance) P-C4' energy: -174.993 flat angles C4'-P-C4' energy: -193.938 flat angles P-C4'-P energy: -99.003 tors. eta vs tors. theta energy: -189.002 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: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2298.481380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.481380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.481380 (E_RNA) where: Base-Base interactions energy: -1542.928 where: short stacking energy: -670.888 Base-Backbone interact. energy: -0.718 local terms energy: -754.835528 where: bonds (distance) C4'-P energy: -151.140 bonds (distance) P-C4' energy: -158.723 flat angles C4'-P-C4' energy: -171.523 flat angles P-C4'-P energy: -107.954 tors. eta vs tors. theta energy: -165.497 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: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2296.275436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.275436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.275436 (E_RNA) where: Base-Base interactions energy: -1535.718 where: short stacking energy: -625.686 Base-Backbone interact. energy: -1.208 local terms energy: -759.349153 where: bonds (distance) C4'-P energy: -162.351 bonds (distance) P-C4' energy: -153.956 flat angles C4'-P-C4' energy: -170.069 flat angles P-C4'-P energy: -113.442 tors. eta vs tors. theta energy: -159.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1948.044156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.044156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.044156 (E_RNA) where: Base-Base interactions energy: -1284.371 where: short stacking energy: -599.138 Base-Backbone interact. energy: -1.458 local terms energy: -662.215014 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -161.181 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -136.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1650.029724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.029724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.029724 (E_RNA) where: Base-Base interactions energy: -1043.661 where: short stacking energy: -458.972 Base-Backbone interact. energy: -0.305 local terms energy: -606.063740 where: bonds (distance) C4'-P energy: -160.445 bonds (distance) P-C4' energy: -146.202 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -72.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -882.748277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.748277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.748277 (E_RNA) where: Base-Base interactions energy: -415.748 where: short stacking energy: -236.350 Base-Backbone interact. energy: 5.887 local terms energy: -472.887885 where: bonds (distance) C4'-P energy: -147.761 bonds (distance) P-C4' energy: -144.748 flat angles C4'-P-C4' energy: -114.739 flat angles P-C4'-P energy: -93.459 tors. eta vs tors. theta energy: 27.819 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: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -802.719501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.719501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.719501 (E_RNA) where: Base-Base interactions energy: -324.710 where: short stacking energy: -226.930 Base-Backbone interact. energy: -0.580 local terms energy: -477.429895 where: bonds (distance) C4'-P energy: -142.606 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -124.977 flat angles P-C4'-P energy: -66.663 tors. eta vs tors. theta energy: 11.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3105.520620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.520620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.520620 (E_RNA) where: Base-Base interactions energy: -2126.071 where: short stacking energy: -918.472 Base-Backbone interact. energy: -1.748 local terms energy: -977.701983 where: bonds (distance) C4'-P energy: -181.007 bonds (distance) P-C4' energy: -200.655 flat angles C4'-P-C4' energy: -205.170 flat angles P-C4'-P energy: -123.928 tors. eta vs tors. theta energy: -266.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2935.394000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.394000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.394000 (E_RNA) where: Base-Base interactions energy: -1987.998 where: short stacking energy: -919.239 Base-Backbone interact. energy: -2.965 local terms energy: -944.430541 where: bonds (distance) C4'-P energy: -173.230 bonds (distance) P-C4' energy: -178.282 flat angles C4'-P-C4' energy: -188.239 flat angles P-C4'-P energy: -140.670 tors. eta vs tors. theta energy: -264.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2788.295686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.295686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.295686 (E_RNA) where: Base-Base interactions energy: -1880.239 where: short stacking energy: -843.330 Base-Backbone interact. energy: -1.225 local terms energy: -906.831399 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -184.267 flat angles C4'-P-C4' energy: -189.843 flat angles P-C4'-P energy: -126.364 tors. eta vs tors. theta energy: -236.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2546.202355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.202355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.202355 (E_RNA) where: Base-Base interactions energy: -1737.837 where: short stacking energy: -736.801 Base-Backbone interact. energy: -1.578 local terms energy: -806.787513 where: bonds (distance) C4'-P energy: -158.218 bonds (distance) P-C4' energy: -183.048 flat angles C4'-P-C4' energy: -175.915 flat angles P-C4'-P energy: -103.602 tors. eta vs tors. theta energy: -186.004 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: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2305.826390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.826390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.826390 (E_RNA) where: Base-Base interactions energy: -1520.658 where: short stacking energy: -676.218 Base-Backbone interact. energy: 2.654 local terms energy: -787.822552 where: bonds (distance) C4'-P energy: -167.268 bonds (distance) P-C4' energy: -156.738 flat angles C4'-P-C4' energy: -186.759 flat angles P-C4'-P energy: -112.355 tors. eta vs tors. theta energy: -164.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2234.834138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.834138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.834138 (E_RNA) where: Base-Base interactions energy: -1524.498 where: short stacking energy: -636.168 Base-Backbone interact. energy: -0.990 local terms energy: -709.345869 where: bonds (distance) C4'-P energy: -142.034 bonds (distance) P-C4' energy: -165.413 flat angles C4'-P-C4' energy: -147.345 flat angles P-C4'-P energy: -99.634 tors. eta vs tors. theta energy: -154.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1924.376895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.376895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.376895 (E_RNA) where: Base-Base interactions energy: -1209.460 where: short stacking energy: -560.541 Base-Backbone interact. energy: -0.628 local terms energy: -714.289094 where: bonds (distance) C4'-P energy: -155.623 bonds (distance) P-C4' energy: -171.152 flat angles C4'-P-C4' energy: -156.498 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -122.074 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: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1622.566259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.566259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.566259 (E_RNA) where: Base-Base interactions energy: -1011.388 where: short stacking energy: -461.542 Base-Backbone interact. energy: -2.395 local terms energy: -608.783591 where: bonds (distance) C4'-P energy: -149.480 bonds (distance) P-C4' energy: -128.201 flat angles C4'-P-C4' energy: -156.508 flat angles P-C4'-P energy: -91.771 tors. eta vs tors. theta energy: -82.823 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: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -897.037687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.037687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.037687 (E_RNA) where: Base-Base interactions energy: -438.120 where: short stacking energy: -279.200 Base-Backbone interact. energy: 0.967 local terms energy: -459.884134 where: bonds (distance) C4'-P energy: -99.742 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -123.823 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: 7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -809.861907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.861907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.861907 (E_RNA) where: Base-Base interactions energy: -364.940 where: short stacking energy: -231.992 Base-Backbone interact. energy: -3.192 local terms energy: -441.729483 where: bonds (distance) C4'-P energy: -133.226 bonds (distance) P-C4' energy: -136.912 flat angles C4'-P-C4' energy: -122.999 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: 22.889 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: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3096.135884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.135884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.135884 (E_RNA) where: Base-Base interactions energy: -2140.909 where: short stacking energy: -954.407 Base-Backbone interact. energy: -0.617 local terms energy: -954.609889 where: bonds (distance) C4'-P energy: -177.063 bonds (distance) P-C4' energy: -159.990 flat angles C4'-P-C4' energy: -207.325 flat angles P-C4'-P energy: -147.549 tors. eta vs tors. theta energy: -262.682 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: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2957.304523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.304523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.304523 (E_RNA) where: Base-Base interactions energy: -2018.722 where: short stacking energy: -914.171 Base-Backbone interact. energy: 2.175 local terms energy: -940.757310 where: bonds (distance) C4'-P energy: -168.307 bonds (distance) P-C4' energy: -178.272 flat angles C4'-P-C4' energy: -202.369 flat angles P-C4'-P energy: -137.371 tors. eta vs tors. theta energy: -254.438 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: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2806.739869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.739869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.739869 (E_RNA) where: Base-Base interactions energy: -1893.059 where: short stacking energy: -861.930 Base-Backbone interact. energy: -4.927 local terms energy: -908.753333 where: bonds (distance) C4'-P energy: -157.030 bonds (distance) P-C4' energy: -184.504 flat angles C4'-P-C4' energy: -187.711 flat angles P-C4'-P energy: -133.733 tors. eta vs tors. theta energy: -245.775 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: 238 Temperature: 1.050000 Total energy: -2576.532003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.532003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.532003 (E_RNA) where: Base-Base interactions energy: -1743.879 where: short stacking energy: -779.994 Base-Backbone interact. energy: 2.568 local terms energy: -835.221724 where: bonds (distance) C4'-P energy: -163.953 bonds (distance) P-C4' energy: -165.469 flat angles C4'-P-C4' energy: -179.025 flat angles P-C4'-P energy: -114.263 tors. eta vs tors. theta energy: -212.512 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: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2367.768154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.768154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.768154 (E_RNA) where: Base-Base interactions energy: -1606.698 where: short stacking energy: -681.692 Base-Backbone interact. energy: -0.660 local terms energy: -760.410695 where: bonds (distance) C4'-P energy: -165.144 bonds (distance) P-C4' energy: -157.361 flat angles C4'-P-C4' energy: -191.000 flat angles P-C4'-P energy: -93.153 tors. eta vs tors. theta energy: -153.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2179.707524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.707524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.707524 (E_RNA) where: Base-Base interactions energy: -1476.717 where: short stacking energy: -630.701 Base-Backbone interact. energy: -1.530 local terms energy: -701.460737 where: bonds (distance) C4'-P energy: -150.421 bonds (distance) P-C4' energy: -143.522 flat angles C4'-P-C4' energy: -160.003 flat angles P-C4'-P energy: -86.193 tors. eta vs tors. theta energy: -161.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1939.675762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.675762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.675762 (E_RNA) where: Base-Base interactions energy: -1247.761 where: short stacking energy: -566.070 Base-Backbone interact. energy: 0.556 local terms energy: -692.469795 where: bonds (distance) C4'-P energy: -144.364 bonds (distance) P-C4' energy: -138.227 flat angles C4'-P-C4' energy: -171.083 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -137.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1498.750623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.750623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.750623 (E_RNA) where: Base-Base interactions energy: -938.012 where: short stacking energy: -456.576 Base-Backbone interact. energy: -0.302 local terms energy: -560.436150 where: bonds (distance) C4'-P energy: -168.042 bonds (distance) P-C4' energy: -136.657 flat angles C4'-P-C4' energy: -121.936 flat angles P-C4'-P energy: -83.004 tors. eta vs tors. theta energy: -50.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -904.698828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.698828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.698828 (E_RNA) where: Base-Base interactions energy: -406.067 where: short stacking energy: -272.530 Base-Backbone interact. energy: -3.254 local terms energy: -495.378466 where: bonds (distance) C4'-P energy: -138.507 bonds (distance) P-C4' energy: -172.531 flat angles C4'-P-C4' energy: -115.159 flat angles P-C4'-P energy: -84.006 tors. eta vs tors. theta energy: 14.824 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: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -819.721248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.721248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.721248 (E_RNA) where: Base-Base interactions energy: -366.440 where: short stacking energy: -244.882 Base-Backbone interact. energy: 2.007 local terms energy: -455.288342 where: bonds (distance) C4'-P energy: -143.580 bonds (distance) P-C4' energy: -139.576 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: 13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3092.893481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.893481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.893481 (E_RNA) where: Base-Base interactions energy: -2109.400 where: short stacking energy: -941.267 Base-Backbone interact. energy: -2.892 local terms energy: -980.601561 where: bonds (distance) C4'-P energy: -174.863 bonds (distance) P-C4' energy: -184.310 flat angles C4'-P-C4' energy: -220.357 flat angles P-C4'-P energy: -134.921 tors. eta vs tors. theta energy: -266.151 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2930.753473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.753473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.753473 (E_RNA) where: Base-Base interactions energy: -2006.433 where: short stacking energy: -883.254 Base-Backbone interact. energy: -2.860 local terms energy: -921.460251 where: bonds (distance) C4'-P energy: -179.838 bonds (distance) P-C4' energy: -172.729 flat angles C4'-P-C4' energy: -200.194 flat angles P-C4'-P energy: -124.197 tors. eta vs tors. theta energy: -244.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2822.787420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.787420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.787420 (E_RNA) where: Base-Base interactions energy: -1894.508 where: short stacking energy: -881.526 Base-Backbone interact. energy: -2.857 local terms energy: -925.422630 where: bonds (distance) C4'-P energy: -156.741 bonds (distance) P-C4' energy: -168.405 flat angles C4'-P-C4' energy: -208.098 flat angles P-C4'-P energy: -132.772 tors. eta vs tors. theta energy: -259.407 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: 239 Temperature: 1.050000 Total energy: -2591.316581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.316581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.316581 (E_RNA) where: Base-Base interactions energy: -1772.659 where: short stacking energy: -764.278 Base-Backbone interact. energy: 2.075 local terms energy: -820.733228 where: bonds (distance) C4'-P energy: -149.884 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -185.394 flat angles P-C4'-P energy: -122.177 tors. eta vs tors. theta energy: -193.094 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2411.041842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.041842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.041842 (E_RNA) where: Base-Base interactions energy: -1638.122 where: short stacking energy: -667.153 Base-Backbone interact. energy: 1.400 local terms energy: -774.320258 where: bonds (distance) C4'-P energy: -163.856 bonds (distance) P-C4' energy: -165.225 flat angles C4'-P-C4' energy: -164.589 flat angles P-C4'-P energy: -120.090 tors. eta vs tors. theta energy: -160.560 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: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2157.711528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.711528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.711528 (E_RNA) where: Base-Base interactions energy: -1428.906 where: short stacking energy: -661.493 Base-Backbone interact. energy: -1.936 local terms energy: -726.869325 where: bonds (distance) C4'-P energy: -158.594 bonds (distance) P-C4' energy: -135.166 flat angles C4'-P-C4' energy: -174.822 flat angles P-C4'-P energy: -106.918 tors. eta vs tors. theta energy: -151.369 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: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1965.191775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.191775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.191775 (E_RNA) where: Base-Base interactions energy: -1259.119 where: short stacking energy: -578.968 Base-Backbone interact. energy: 3.299 local terms energy: -709.371675 where: bonds (distance) C4'-P energy: -138.577 bonds (distance) P-C4' energy: -162.695 flat angles C4'-P-C4' energy: -163.531 flat angles P-C4'-P energy: -111.918 tors. eta vs tors. theta energy: -132.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1562.668931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.668931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.668931 (E_RNA) where: Base-Base interactions energy: -995.824 where: short stacking energy: -480.738 Base-Backbone interact. energy: 4.842 local terms energy: -571.687418 where: bonds (distance) C4'-P energy: -136.636 bonds (distance) P-C4' energy: -154.947 flat angles C4'-P-C4' energy: -142.229 flat angles P-C4'-P energy: -70.671 tors. eta vs tors. theta energy: -67.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -905.634239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.634239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.634239 (E_RNA) where: Base-Base interactions energy: -430.333 where: short stacking energy: -274.176 Base-Backbone interact. energy: 5.785 local terms energy: -481.086440 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -144.515 flat angles C4'-P-C4' energy: -123.304 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: 5.484 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: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -807.793886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.793886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.793886 (E_RNA) where: Base-Base interactions energy: -373.204 where: short stacking energy: -235.038 Base-Backbone interact. energy: 3.445 local terms energy: -438.034812 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -126.590 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: 31.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3099.497658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.497658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.497658 (E_RNA) where: Base-Base interactions energy: -2117.636 where: short stacking energy: -922.166 Base-Backbone interact. energy: -3.848 local terms energy: -978.014525 where: bonds (distance) C4'-P energy: -184.417 bonds (distance) P-C4' energy: -177.833 flat angles C4'-P-C4' energy: -207.141 flat angles P-C4'-P energy: -135.463 tors. eta vs tors. theta energy: -273.160 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: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2927.728474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.728474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.728474 (E_RNA) where: Base-Base interactions energy: -2005.139 where: short stacking energy: -864.679 Base-Backbone interact. energy: 0.678 local terms energy: -923.268129 where: bonds (distance) C4'-P energy: -184.357 bonds (distance) P-C4' energy: -171.897 flat angles C4'-P-C4' energy: -202.052 flat angles P-C4'-P energy: -124.787 tors. eta vs tors. theta energy: -240.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2840.458099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.458099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.458099 (E_RNA) where: Base-Base interactions energy: -1937.355 where: short stacking energy: -884.904 Base-Backbone interact. energy: -0.217 local terms energy: -902.885692 where: bonds (distance) C4'-P energy: -162.614 bonds (distance) P-C4' energy: -146.813 flat angles C4'-P-C4' energy: -199.907 flat angles P-C4'-P energy: -132.281 tors. eta vs tors. theta energy: -261.271 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: 240 Temperature: 1.050000 Total energy: -2661.082067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.082067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.082067 (E_RNA) where: Base-Base interactions energy: -1813.418 where: short stacking energy: -796.159 Base-Backbone interact. energy: -3.443 local terms energy: -844.221013 where: bonds (distance) C4'-P energy: -147.484 bonds (distance) P-C4' energy: -173.288 flat angles C4'-P-C4' energy: -179.292 flat angles P-C4'-P energy: -128.834 tors. eta vs tors. theta energy: -215.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2372.307792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.307792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.307792 (E_RNA) where: Base-Base interactions energy: -1606.321 where: short stacking energy: -671.307 Base-Backbone interact. energy: -0.139 local terms energy: -765.847871 where: bonds (distance) C4'-P energy: -146.480 bonds (distance) P-C4' energy: -176.223 flat angles C4'-P-C4' energy: -170.131 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -163.203 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2114.296134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.296134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.296134 (E_RNA) where: Base-Base interactions energy: -1374.966 where: short stacking energy: -608.537 Base-Backbone interact. energy: 0.331 local terms energy: -739.661222 where: bonds (distance) C4'-P energy: -149.054 bonds (distance) P-C4' energy: -166.316 flat angles C4'-P-C4' energy: -175.292 flat angles P-C4'-P energy: -103.926 tors. eta vs tors. theta energy: -145.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1923.859840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.859840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.859840 (E_RNA) where: Base-Base interactions energy: -1222.061 where: short stacking energy: -565.636 Base-Backbone interact. energy: -0.986 local terms energy: -700.813090 where: bonds (distance) C4'-P energy: -160.387 bonds (distance) P-C4' energy: -137.542 flat angles C4'-P-C4' energy: -164.327 flat angles P-C4'-P energy: -114.807 tors. eta vs tors. theta energy: -123.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1574.656775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.656775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.656775 (E_RNA) where: Base-Base interactions energy: -978.653 where: short stacking energy: -449.368 Base-Backbone interact. energy: -2.319 local terms energy: -593.684812 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -141.201 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -57.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -891.001508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.001508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.001508 (E_RNA) where: Base-Base interactions energy: -412.002 where: short stacking energy: -243.198 Base-Backbone interact. energy: -0.558 local terms energy: -478.441679 where: bonds (distance) C4'-P energy: -143.161 bonds (distance) P-C4' energy: -160.977 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -60.686 tors. eta vs tors. theta energy: 11.819 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: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -798.990404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.990404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.990404 (E_RNA) where: Base-Base interactions energy: -370.382 where: short stacking energy: -219.429 Base-Backbone interact. energy: 4.674 local terms energy: -433.282974 where: bonds (distance) C4'-P energy: -141.680 bonds (distance) P-C4' energy: -147.090 flat angles C4'-P-C4' energy: -102.013 flat angles P-C4'-P energy: -68.379 tors. eta vs tors. theta energy: 25.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3117.872502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.872502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.872502 (E_RNA) where: Base-Base interactions energy: -2147.809 where: short stacking energy: -981.345 Base-Backbone interact. energy: -1.797 local terms energy: -968.266662 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -183.998 flat angles C4'-P-C4' energy: -210.383 flat angles P-C4'-P energy: -138.216 tors. eta vs tors. theta energy: -278.166 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: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2920.907629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.907629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.907629 (E_RNA) where: Base-Base interactions energy: -1980.069 where: short stacking energy: -899.552 Base-Backbone interact. energy: -2.894 local terms energy: -937.945074 where: bonds (distance) C4'-P energy: -173.030 bonds (distance) P-C4' energy: -184.539 flat angles C4'-P-C4' energy: -201.876 flat angles P-C4'-P energy: -132.855 tors. eta vs tors. theta energy: -245.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2793.768758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.768758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.768758 (E_RNA) where: Base-Base interactions energy: -1892.269 where: short stacking energy: -864.966 Base-Backbone interact. energy: -3.839 local terms energy: -897.661024 where: bonds (distance) C4'-P energy: -158.268 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -195.563 flat angles P-C4'-P energy: -125.519 tors. eta vs tors. theta energy: -256.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2663.428218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.428218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.428218 (E_RNA) where: Base-Base interactions energy: -1822.100 where: short stacking energy: -812.017 Base-Backbone interact. energy: -1.728 local terms energy: -839.599852 where: bonds (distance) C4'-P energy: -152.523 bonds (distance) P-C4' energy: -159.490 flat angles C4'-P-C4' energy: -197.162 flat angles P-C4'-P energy: -110.940 tors. eta vs tors. theta energy: -219.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2443.843165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.843165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.843165 (E_RNA) where: Base-Base interactions energy: -1647.785 where: short stacking energy: -721.583 Base-Backbone interact. energy: 1.759 local terms energy: -797.816711 where: bonds (distance) C4'-P energy: -159.778 bonds (distance) P-C4' energy: -145.060 flat angles C4'-P-C4' energy: -189.885 flat angles P-C4'-P energy: -110.753 tors. eta vs tors. theta energy: -192.341 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: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2107.383251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.383251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.383251 (E_RNA) where: Base-Base interactions energy: -1414.498 where: short stacking energy: -590.898 Base-Backbone interact. energy: 1.755 local terms energy: -694.640482 where: bonds (distance) C4'-P energy: -135.374 bonds (distance) P-C4' energy: -160.016 flat angles C4'-P-C4' energy: -162.493 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -135.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1917.559496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.559496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.559496 (E_RNA) where: Base-Base interactions energy: -1193.357 where: short stacking energy: -544.089 Base-Backbone interact. energy: -4.893 local terms energy: -719.309297 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -171.343 flat angles C4'-P-C4' energy: -158.403 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -124.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1584.344572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.344572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.344572 (E_RNA) where: Base-Base interactions energy: -941.874 where: short stacking energy: -439.400 Base-Backbone interact. energy: -4.384 local terms energy: -638.086848 where: bonds (distance) C4'-P energy: -146.369 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -164.332 flat angles P-C4'-P energy: -107.865 tors. eta vs tors. theta energy: -74.103 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: 241 Temperature: 1.300000 Total energy: -944.441396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.441396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.441396 (E_RNA) where: Base-Base interactions energy: -444.481 where: short stacking energy: -279.522 Base-Backbone interact. energy: 7.164 local terms energy: -507.124412 where: bonds (distance) C4'-P energy: -123.620 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -154.423 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: 6.755 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: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -932.168726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.168726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.168726 (E_RNA) where: Base-Base interactions energy: -487.280 where: short stacking energy: -281.349 Base-Backbone interact. energy: 5.371 local terms energy: -450.259757 where: bonds (distance) C4'-P energy: -121.723 bonds (distance) P-C4' energy: -145.180 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: 4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3120.786752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.786752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.786752 (E_RNA) where: Base-Base interactions energy: -2123.034 where: short stacking energy: -954.600 Base-Backbone interact. energy: -5.934 local terms energy: -991.819014 where: bonds (distance) C4'-P energy: -182.892 bonds (distance) P-C4' energy: -171.185 flat angles C4'-P-C4' energy: -216.885 flat angles P-C4'-P energy: -147.604 tors. eta vs tors. theta energy: -273.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2927.124640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.124640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.124640 (E_RNA) where: Base-Base interactions energy: -2017.753 where: short stacking energy: -890.766 Base-Backbone interact. energy: -1.490 local terms energy: -907.881121 where: bonds (distance) C4'-P energy: -164.733 bonds (distance) P-C4' energy: -177.062 flat angles C4'-P-C4' energy: -192.416 flat angles P-C4'-P energy: -132.649 tors. eta vs tors. theta energy: -241.021 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: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2809.359185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.359185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.359185 (E_RNA) where: Base-Base interactions energy: -1916.650 where: short stacking energy: -883.916 Base-Backbone interact. energy: -3.404 local terms energy: -889.305282 where: bonds (distance) C4'-P energy: -147.234 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -200.534 flat angles P-C4'-P energy: -129.109 tors. eta vs tors. theta energy: -249.382 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: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2690.788146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.788146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.788146 (E_RNA) where: Base-Base interactions energy: -1813.209 where: short stacking energy: -811.726 Base-Backbone interact. energy: -1.524 local terms energy: -876.055147 where: bonds (distance) C4'-P energy: -173.119 bonds (distance) P-C4' energy: -160.013 flat angles C4'-P-C4' energy: -184.641 flat angles P-C4'-P energy: -129.067 tors. eta vs tors. theta energy: -229.215 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: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2487.183236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.183236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.183236 (E_RNA) where: Base-Base interactions energy: -1700.885 where: short stacking energy: -707.372 Base-Backbone interact. energy: -4.595 local terms energy: -781.703761 where: bonds (distance) C4'-P energy: -153.084 bonds (distance) P-C4' energy: -163.753 flat angles C4'-P-C4' energy: -175.348 flat angles P-C4'-P energy: -101.424 tors. eta vs tors. theta energy: -188.094 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2138.545027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.545027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.545027 (E_RNA) where: Base-Base interactions energy: -1439.132 where: short stacking energy: -618.867 Base-Backbone interact. energy: -4.849 local terms energy: -694.563999 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -154.541 flat angles C4'-P-C4' energy: -154.724 flat angles P-C4'-P energy: -107.991 tors. eta vs tors. theta energy: -130.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1989.914820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.914820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.914820 (E_RNA) where: Base-Base interactions energy: -1276.145 where: short stacking energy: -587.348 Base-Backbone interact. energy: -0.022 local terms energy: -713.747455 where: bonds (distance) C4'-P energy: -158.132 bonds (distance) P-C4' energy: -146.611 flat angles C4'-P-C4' energy: -157.377 flat angles P-C4'-P energy: -113.768 tors. eta vs tors. theta energy: -137.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1631.710376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.710376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.710376 (E_RNA) where: Base-Base interactions energy: -1020.311 where: short stacking energy: -474.055 Base-Backbone interact. energy: -3.105 local terms energy: -608.294371 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -159.536 flat angles C4'-P-C4' energy: -127.756 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -100.263 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -921.084852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.084852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.084852 (E_RNA) where: Base-Base interactions energy: -423.078 where: short stacking energy: -293.485 Base-Backbone interact. energy: 1.822 local terms energy: -499.829828 where: bonds (distance) C4'-P energy: -137.243 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -10.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -958.010682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.010682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.010682 (E_RNA) where: Base-Base interactions energy: -473.215 where: short stacking energy: -252.819 Base-Backbone interact. energy: 2.058 local terms energy: -486.853872 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -155.735 flat angles C4'-P-C4' energy: -130.466 flat angles P-C4'-P energy: -81.579 tors. eta vs tors. theta energy: 17.744 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: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3096.869950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.869950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.869950 (E_RNA) where: Base-Base interactions energy: -2135.588 where: short stacking energy: -908.412 Base-Backbone interact. energy: -1.668 local terms energy: -959.614019 where: bonds (distance) C4'-P energy: -169.397 bonds (distance) P-C4' energy: -175.404 flat angles C4'-P-C4' energy: -198.503 flat angles P-C4'-P energy: -145.734 tors. eta vs tors. theta energy: -270.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2893.169900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.169900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.169900 (E_RNA) where: Base-Base interactions energy: -1993.438 where: short stacking energy: -852.158 Base-Backbone interact. energy: 0.571 local terms energy: -900.302711 where: bonds (distance) C4'-P energy: -172.397 bonds (distance) P-C4' energy: -174.098 flat angles C4'-P-C4' energy: -203.059 flat angles P-C4'-P energy: -123.939 tors. eta vs tors. theta energy: -226.810 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: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2832.480251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.480251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.480251 (E_RNA) where: Base-Base interactions energy: -1915.575 where: short stacking energy: -898.457 Base-Backbone interact. energy: -5.109 local terms energy: -911.797014 where: bonds (distance) C4'-P energy: -157.574 bonds (distance) P-C4' energy: -174.449 flat angles C4'-P-C4' energy: -188.767 flat angles P-C4'-P energy: -134.831 tors. eta vs tors. theta energy: -256.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2663.490585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.490585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.490585 (E_RNA) where: Base-Base interactions energy: -1837.395 where: short stacking energy: -818.232 Base-Backbone interact. energy: 4.210 local terms energy: -830.304914 where: bonds (distance) C4'-P energy: -142.991 bonds (distance) P-C4' energy: -168.835 flat angles C4'-P-C4' energy: -189.771 flat angles P-C4'-P energy: -110.265 tors. eta vs tors. theta energy: -218.443 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: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2419.005571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.005571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.005571 (E_RNA) where: Base-Base interactions energy: -1632.159 where: short stacking energy: -709.484 Base-Backbone interact. energy: -4.123 local terms energy: -782.723229 where: bonds (distance) C4'-P energy: -174.053 bonds (distance) P-C4' energy: -171.293 flat angles C4'-P-C4' energy: -170.116 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -174.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2100.276214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.276214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.276214 (E_RNA) where: Base-Base interactions energy: -1341.431 where: short stacking energy: -590.941 Base-Backbone interact. energy: 3.944 local terms energy: -762.789695 where: bonds (distance) C4'-P energy: -167.365 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -177.747 flat angles P-C4'-P energy: -110.264 tors. eta vs tors. theta energy: -149.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1898.700074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.700074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.700074 (E_RNA) where: Base-Base interactions energy: -1234.685 where: short stacking energy: -587.948 Base-Backbone interact. energy: -3.968 local terms energy: -660.046917 where: bonds (distance) C4'-P energy: -152.581 bonds (distance) P-C4' energy: -159.308 flat angles C4'-P-C4' energy: -130.357 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -124.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1620.825166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.825166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.825166 (E_RNA) where: Base-Base interactions energy: -1003.560 where: short stacking energy: -432.911 Base-Backbone interact. energy: -4.200 local terms energy: -613.065380 where: bonds (distance) C4'-P energy: -153.970 bonds (distance) P-C4' energy: -148.581 flat angles C4'-P-C4' energy: -150.529 flat angles P-C4'-P energy: -92.361 tors. eta vs tors. theta energy: -67.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -956.423683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.423683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.423683 (E_RNA) where: Base-Base interactions energy: -433.156 where: short stacking energy: -278.162 Base-Backbone interact. energy: -1.379 local terms energy: -521.888532 where: bonds (distance) C4'-P energy: -155.195 bonds (distance) P-C4' energy: -148.575 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: -10.156 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: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -971.295756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.295756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.295756 (E_RNA) where: Base-Base interactions energy: -494.970 where: short stacking energy: -292.235 Base-Backbone interact. energy: 6.862 local terms energy: -483.187521 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -131.927 flat angles C4'-P-C4' energy: -103.898 flat angles P-C4'-P energy: -82.317 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3106.843232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.843232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.843232 (E_RNA) where: Base-Base interactions energy: -2155.890 where: short stacking energy: -961.698 Base-Backbone interact. energy: -3.683 local terms energy: -947.270371 where: bonds (distance) C4'-P energy: -163.957 bonds (distance) P-C4' energy: -179.007 flat angles C4'-P-C4' energy: -205.908 flat angles P-C4'-P energy: -132.455 tors. eta vs tors. theta energy: -265.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2924.599278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.599278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.599278 (E_RNA) where: Base-Base interactions energy: -2010.065 where: short stacking energy: -876.717 Base-Backbone interact. energy: -3.609 local terms energy: -910.925527 where: bonds (distance) C4'-P energy: -175.138 bonds (distance) P-C4' energy: -174.856 flat angles C4'-P-C4' energy: -197.630 flat angles P-C4'-P energy: -125.792 tors. eta vs tors. theta energy: -237.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2836.508923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.508923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.508923 (E_RNA) where: Base-Base interactions energy: -1910.422 where: short stacking energy: -919.007 Base-Backbone interact. energy: -3.496 local terms energy: -922.591675 where: bonds (distance) C4'-P energy: -161.664 bonds (distance) P-C4' energy: -152.840 flat angles C4'-P-C4' energy: -199.559 flat angles P-C4'-P energy: -138.373 tors. eta vs tors. theta energy: -270.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2654.489908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.489908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.489908 (E_RNA) where: Base-Base interactions energy: -1802.143 where: short stacking energy: -774.105 Base-Backbone interact. energy: 0.606 local terms energy: -852.952971 where: bonds (distance) C4'-P energy: -167.614 bonds (distance) P-C4' energy: -170.630 flat angles C4'-P-C4' energy: -180.584 flat angles P-C4'-P energy: -127.876 tors. eta vs tors. theta energy: -206.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2383.082319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.082319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.082319 (E_RNA) where: Base-Base interactions energy: -1619.088 where: short stacking energy: -666.830 Base-Backbone interact. energy: -1.632 local terms energy: -762.362715 where: bonds (distance) C4'-P energy: -164.938 bonds (distance) P-C4' energy: -168.189 flat angles C4'-P-C4' energy: -172.012 flat angles P-C4'-P energy: -91.153 tors. eta vs tors. theta energy: -166.071 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2096.004706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.004706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.004706 (E_RNA) where: Base-Base interactions energy: -1401.477 where: short stacking energy: -628.030 Base-Backbone interact. energy: 1.684 local terms energy: -696.211776 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -146.661 flat angles C4'-P-C4' energy: -160.815 flat angles P-C4'-P energy: -120.920 tors. eta vs tors. theta energy: -129.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1944.975224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.975224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.975224 (E_RNA) where: Base-Base interactions energy: -1230.571 where: short stacking energy: -601.820 Base-Backbone interact. energy: -1.898 local terms energy: -712.506319 where: bonds (distance) C4'-P energy: -147.086 bonds (distance) P-C4' energy: -157.476 flat angles C4'-P-C4' energy: -168.473 flat angles P-C4'-P energy: -101.229 tors. eta vs tors. theta energy: -138.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1670.867373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.867373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.867373 (E_RNA) where: Base-Base interactions energy: -1062.226 where: short stacking energy: -491.413 Base-Backbone interact. energy: -0.126 local terms energy: -608.515713 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -147.819 flat angles P-C4'-P energy: -88.074 tors. eta vs tors. theta energy: -100.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -971.555765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.555765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.555765 (E_RNA) where: Base-Base interactions energy: -489.495 where: short stacking energy: -314.730 Base-Backbone interact. energy: 1.084 local terms energy: -483.144916 where: bonds (distance) C4'-P energy: -134.067 bonds (distance) P-C4' energy: -142.161 flat angles C4'-P-C4' energy: -110.989 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: 2.860 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: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -889.645106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.645106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.645106 (E_RNA) where: Base-Base interactions energy: -440.058 where: short stacking energy: -241.301 Base-Backbone interact. energy: 0.588 local terms energy: -450.174636 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -105.604 flat angles P-C4'-P energy: -60.110 tors. eta vs tors. theta energy: 19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3102.504526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.504526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.504526 (E_RNA) where: Base-Base interactions energy: -2136.150 where: short stacking energy: -927.809 Base-Backbone interact. energy: -3.848 local terms energy: -962.506658 where: bonds (distance) C4'-P energy: -178.134 bonds (distance) P-C4' energy: -170.947 flat angles C4'-P-C4' energy: -211.425 flat angles P-C4'-P energy: -136.522 tors. eta vs tors. theta energy: -265.478 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: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2924.820399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.820399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.820399 (E_RNA) where: Base-Base interactions energy: -2001.303 where: short stacking energy: -911.926 Base-Backbone interact. energy: -3.034 local terms energy: -920.484152 where: bonds (distance) C4'-P energy: -179.367 bonds (distance) P-C4' energy: -162.891 flat angles C4'-P-C4' energy: -194.218 flat angles P-C4'-P energy: -136.110 tors. eta vs tors. theta energy: -247.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2787.423459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.423459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.423459 (E_RNA) where: Base-Base interactions energy: -1875.755 where: short stacking energy: -850.245 Base-Backbone interact. energy: -1.117 local terms energy: -910.551721 where: bonds (distance) C4'-P energy: -161.416 bonds (distance) P-C4' energy: -177.520 flat angles C4'-P-C4' energy: -185.305 flat angles P-C4'-P energy: -129.920 tors. eta vs tors. theta energy: -256.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2679.968528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.968528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.968528 (E_RNA) where: Base-Base interactions energy: -1845.208 where: short stacking energy: -807.076 Base-Backbone interact. energy: -4.511 local terms energy: -830.249527 where: bonds (distance) C4'-P energy: -142.623 bonds (distance) P-C4' energy: -174.311 flat angles C4'-P-C4' energy: -182.089 flat angles P-C4'-P energy: -117.950 tors. eta vs tors. theta energy: -213.276 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: 245 Temperature: 1.100000 Total energy: -2451.996732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.996732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.996732 (E_RNA) where: Base-Base interactions energy: -1650.992 where: short stacking energy: -708.503 Base-Backbone interact. energy: -3.486 local terms energy: -797.519212 where: bonds (distance) C4'-P energy: -151.244 bonds (distance) P-C4' energy: -162.083 flat angles C4'-P-C4' energy: -179.149 flat angles P-C4'-P energy: -122.686 tors. eta vs tors. theta energy: -182.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2149.264244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.264244 (E_RNA) where: Base-Base interactions energy: -1436.328 where: short stacking energy: -601.822 Base-Backbone interact. energy: -3.556 local terms energy: -709.380093 where: bonds (distance) C4'-P energy: -154.734 bonds (distance) P-C4' energy: -150.040 flat angles C4'-P-C4' energy: -163.254 flat angles P-C4'-P energy: -111.649 tors. eta vs tors. theta energy: -129.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1973.255941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.255941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.255941 (E_RNA) where: Base-Base interactions energy: -1298.703 where: short stacking energy: -603.680 Base-Backbone interact. energy: -1.754 local terms energy: -672.799085 where: bonds (distance) C4'-P energy: -142.632 bonds (distance) P-C4' energy: -160.425 flat angles C4'-P-C4' energy: -163.523 flat angles P-C4'-P energy: -72.167 tors. eta vs tors. theta energy: -134.052 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: 245 Temperature: 1.250000 Total energy: -1645.132083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.132083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.132083 (E_RNA) where: Base-Base interactions energy: -1018.493 where: short stacking energy: -444.958 Base-Backbone interact. energy: -4.289 local terms energy: -622.350172 where: bonds (distance) C4'-P energy: -148.732 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -149.254 flat angles P-C4'-P energy: -74.262 tors. eta vs tors. theta energy: -84.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1024.777880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.777880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.777880 (E_RNA) where: Base-Base interactions energy: -487.529 where: short stacking energy: -297.708 Base-Backbone interact. energy: -1.952 local terms energy: -535.296594 where: bonds (distance) C4'-P energy: -150.810 bonds (distance) P-C4' energy: -148.828 flat angles C4'-P-C4' energy: -130.700 flat angles P-C4'-P energy: -79.481 tors. eta vs tors. theta energy: -25.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -888.540291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.540291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.540291 (E_RNA) where: Base-Base interactions energy: -449.308 where: short stacking energy: -296.693 Base-Backbone interact. energy: 6.079 local terms energy: -445.311199 where: bonds (distance) C4'-P energy: -117.031 bonds (distance) P-C4' energy: -135.114 flat angles C4'-P-C4' energy: -121.370 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -2.034 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: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3099.989188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.989188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.989188 (E_RNA) where: Base-Base interactions energy: -2168.315 where: short stacking energy: -941.249 Base-Backbone interact. energy: -2.962 local terms energy: -928.711986 where: bonds (distance) C4'-P energy: -153.109 bonds (distance) P-C4' energy: -184.312 flat angles C4'-P-C4' energy: -193.729 flat angles P-C4'-P energy: -143.105 tors. eta vs tors. theta energy: -254.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2971.307217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.307217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.307217 (E_RNA) where: Base-Base interactions energy: -2022.945 where: short stacking energy: -893.605 Base-Backbone interact. energy: -2.468 local terms energy: -945.894650 where: bonds (distance) C4'-P energy: -186.584 bonds (distance) P-C4' energy: -166.119 flat angles C4'-P-C4' energy: -193.673 flat angles P-C4'-P energy: -141.266 tors. eta vs tors. theta energy: -258.253 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: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2837.795670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.795670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.795670 (E_RNA) where: Base-Base interactions energy: -1910.811 where: short stacking energy: -872.455 Base-Backbone interact. energy: -3.735 local terms energy: -923.249567 where: bonds (distance) C4'-P energy: -167.852 bonds (distance) P-C4' energy: -186.227 flat angles C4'-P-C4' energy: -182.316 flat angles P-C4'-P energy: -127.895 tors. eta vs tors. theta energy: -258.959 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2687.929524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.929524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.929524 (E_RNA) where: Base-Base interactions energy: -1863.138 where: short stacking energy: -807.700 Base-Backbone interact. energy: -2.330 local terms energy: -822.461241 where: bonds (distance) C4'-P energy: -136.077 bonds (distance) P-C4' energy: -163.723 flat angles C4'-P-C4' energy: -199.720 flat angles P-C4'-P energy: -111.213 tors. eta vs tors. theta energy: -211.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2449.337234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.337234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.337234 (E_RNA) where: Base-Base interactions energy: -1657.617 where: short stacking energy: -693.875 Base-Backbone interact. energy: -5.188 local terms energy: -786.531613 where: bonds (distance) C4'-P energy: -149.437 bonds (distance) P-C4' energy: -150.100 flat angles C4'-P-C4' energy: -178.152 flat angles P-C4'-P energy: -119.882 tors. eta vs tors. theta energy: -188.962 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: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2102.806014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.806014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.806014 (E_RNA) where: Base-Base interactions energy: -1380.873 where: short stacking energy: -611.298 Base-Backbone interact. energy: 4.141 local terms energy: -726.073491 where: bonds (distance) C4'-P energy: -155.233 bonds (distance) P-C4' energy: -153.299 flat angles C4'-P-C4' energy: -162.545 flat angles P-C4'-P energy: -111.129 tors. eta vs tors. theta energy: -143.867 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: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2015.916480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.916480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.916480 (E_RNA) where: Base-Base interactions energy: -1337.107 where: short stacking energy: -617.579 Base-Backbone interact. energy: 1.981 local terms energy: -680.790658 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -150.254 flat angles C4'-P-C4' energy: -158.529 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -134.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1661.541936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.541936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.541936 (E_RNA) where: Base-Base interactions energy: -1066.684 where: short stacking energy: -458.317 Base-Backbone interact. energy: 5.233 local terms energy: -600.090955 where: bonds (distance) C4'-P energy: -133.886 bonds (distance) P-C4' energy: -148.904 flat angles C4'-P-C4' energy: -146.379 flat angles P-C4'-P energy: -87.935 tors. eta vs tors. theta energy: -82.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1060.137505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.137505 (E_RNA) where: Base-Base interactions energy: -555.219 where: short stacking energy: -273.604 Base-Backbone interact. energy: -0.174 local terms energy: -504.744681 where: bonds (distance) C4'-P energy: -133.917 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -133.779 flat angles P-C4'-P energy: -88.605 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -968.466779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.466779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.466779 (E_RNA) where: Base-Base interactions energy: -477.172 where: short stacking energy: -283.632 Base-Backbone interact. energy: 1.231 local terms energy: -492.526114 where: bonds (distance) C4'-P energy: -146.430 bonds (distance) P-C4' energy: -145.807 flat angles C4'-P-C4' energy: -133.701 flat angles P-C4'-P energy: -63.572 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3136.633111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.633111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.633111 (E_RNA) where: Base-Base interactions energy: -2169.949 where: short stacking energy: -948.414 Base-Backbone interact. energy: 2.695 local terms energy: -969.378983 where: bonds (distance) C4'-P energy: -184.987 bonds (distance) P-C4' energy: -173.524 flat angles C4'-P-C4' energy: -205.790 flat angles P-C4'-P energy: -135.513 tors. eta vs tors. theta energy: -269.564 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: 247 Temperature: 0.950000 Total energy: -2950.325083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.325083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.325083 (E_RNA) where: Base-Base interactions energy: -2031.963 where: short stacking energy: -908.636 Base-Backbone interact. energy: -0.344 local terms energy: -918.018601 where: bonds (distance) C4'-P energy: -159.767 bonds (distance) P-C4' energy: -185.049 flat angles C4'-P-C4' energy: -191.238 flat angles P-C4'-P energy: -132.012 tors. eta vs tors. theta energy: -249.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2835.156097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.156097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.156097 (E_RNA) where: Base-Base interactions energy: -1949.177 where: short stacking energy: -890.275 Base-Backbone interact. energy: -0.646 local terms energy: -885.332735 where: bonds (distance) C4'-P energy: -172.887 bonds (distance) P-C4' energy: -159.271 flat angles C4'-P-C4' energy: -181.312 flat angles P-C4'-P energy: -111.267 tors. eta vs tors. theta energy: -260.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2689.021449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.021449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.021449 (E_RNA) where: Base-Base interactions energy: -1825.678 where: short stacking energy: -810.610 Base-Backbone interact. energy: -1.070 local terms energy: -862.273379 where: bonds (distance) C4'-P energy: -152.153 bonds (distance) P-C4' energy: -172.028 flat angles C4'-P-C4' energy: -200.651 flat angles P-C4'-P energy: -120.919 tors. eta vs tors. theta energy: -216.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2454.488802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.488802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.488802 (E_RNA) where: Base-Base interactions energy: -1700.616 where: short stacking energy: -719.481 Base-Backbone interact. energy: -2.490 local terms energy: -751.383360 where: bonds (distance) C4'-P energy: -147.531 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -163.679 flat angles P-C4'-P energy: -113.335 tors. eta vs tors. theta energy: -167.406 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: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2104.301332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.301332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.301332 (E_RNA) where: Base-Base interactions energy: -1366.017 where: short stacking energy: -635.297 Base-Backbone interact. energy: -3.876 local terms energy: -734.407942 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -134.114 flat angles C4'-P-C4' energy: -181.328 flat angles P-C4'-P energy: -109.608 tors. eta vs tors. theta energy: -168.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2012.414530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.414530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.414530 (E_RNA) where: Base-Base interactions energy: -1289.533 where: short stacking energy: -568.782 Base-Backbone interact. energy: -0.217 local terms energy: -722.664152 where: bonds (distance) C4'-P energy: -154.221 bonds (distance) P-C4' energy: -170.395 flat angles C4'-P-C4' energy: -185.716 flat angles P-C4'-P energy: -92.197 tors. eta vs tors. theta energy: -120.136 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: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1677.379470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.379470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.379470 (E_RNA) where: Base-Base interactions energy: -1023.342 where: short stacking energy: -521.357 Base-Backbone interact. energy: 4.991 local terms energy: -659.028599 where: bonds (distance) C4'-P energy: -141.247 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -156.813 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -119.922 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1123.295776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.295776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.295776 (E_RNA) where: Base-Base interactions energy: -582.304 where: short stacking energy: -331.704 Base-Backbone interact. energy: -1.005 local terms energy: -539.987037 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -141.505 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -76.834 tors. eta vs tors. theta energy: -33.157 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: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -939.381249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.381249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.381249 (E_RNA) where: Base-Base interactions energy: -482.447 where: short stacking energy: -255.497 Base-Backbone interact. energy: 7.565 local terms energy: -464.499245 where: bonds (distance) C4'-P energy: -139.442 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -109.220 flat angles P-C4'-P energy: -57.450 tors. eta vs tors. theta energy: -16.809 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: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3088.024957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.024957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.024957 (E_RNA) where: Base-Base interactions energy: -2134.536 where: short stacking energy: -909.901 Base-Backbone interact. energy: -2.359 local terms energy: -951.130235 where: bonds (distance) C4'-P energy: -147.710 bonds (distance) P-C4' energy: -184.282 flat angles C4'-P-C4' energy: -197.619 flat angles P-C4'-P energy: -148.624 tors. eta vs tors. theta energy: -272.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3003.275801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.275801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.275801 (E_RNA) where: Base-Base interactions energy: -2103.783 where: short stacking energy: -935.497 Base-Backbone interact. energy: -2.649 local terms energy: -896.844082 where: bonds (distance) C4'-P energy: -148.845 bonds (distance) P-C4' energy: -144.732 flat angles C4'-P-C4' energy: -209.393 flat angles P-C4'-P energy: -122.833 tors. eta vs tors. theta energy: -271.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2774.651449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.651449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.651449 (E_RNA) where: Base-Base interactions energy: -1885.132 where: short stacking energy: -852.320 Base-Backbone interact. energy: -2.336 local terms energy: -887.182933 where: bonds (distance) C4'-P energy: -166.116 bonds (distance) P-C4' energy: -175.614 flat angles C4'-P-C4' energy: -203.654 flat angles P-C4'-P energy: -109.274 tors. eta vs tors. theta energy: -232.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2609.303851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.303851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.303851 (E_RNA) where: Base-Base interactions energy: -1812.256 where: short stacking energy: -808.442 Base-Backbone interact. energy: -0.339 local terms energy: -796.709408 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -178.068 flat angles P-C4'-P energy: -123.308 tors. eta vs tors. theta energy: -194.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2409.335033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.335033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.335033 (E_RNA) where: Base-Base interactions energy: -1639.027 where: short stacking energy: -695.894 Base-Backbone interact. energy: 1.122 local terms energy: -771.430276 where: bonds (distance) C4'-P energy: -151.695 bonds (distance) P-C4' energy: -159.249 flat angles C4'-P-C4' energy: -180.593 flat angles P-C4'-P energy: -130.401 tors. eta vs tors. theta energy: -149.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2154.483672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.483672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.483672 (E_RNA) where: Base-Base interactions energy: -1403.088 where: short stacking energy: -656.916 Base-Backbone interact. energy: -1.113 local terms energy: -750.282656 where: bonds (distance) C4'-P energy: -133.184 bonds (distance) P-C4' energy: -151.168 flat angles C4'-P-C4' energy: -181.169 flat angles P-C4'-P energy: -115.049 tors. eta vs tors. theta energy: -169.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1970.424544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.424544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.424544 (E_RNA) where: Base-Base interactions energy: -1325.937 where: short stacking energy: -569.947 Base-Backbone interact. energy: -0.482 local terms energy: -644.006101 where: bonds (distance) C4'-P energy: -134.861 bonds (distance) P-C4' energy: -132.156 flat angles C4'-P-C4' energy: -166.446 flat angles P-C4'-P energy: -105.915 tors. eta vs tors. theta energy: -104.628 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: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1623.196438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.196438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.196438 (E_RNA) where: Base-Base interactions energy: -991.685 where: short stacking energy: -470.527 Base-Backbone interact. energy: -0.753 local terms energy: -630.757570 where: bonds (distance) C4'-P energy: -140.084 bonds (distance) P-C4' energy: -156.430 flat angles C4'-P-C4' energy: -153.746 flat angles P-C4'-P energy: -105.420 tors. eta vs tors. theta energy: -75.077 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: 248 Temperature: 1.300000 Total energy: -1153.494636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.494636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.494636 (E_RNA) where: Base-Base interactions energy: -609.540 where: short stacking energy: -365.421 Base-Backbone interact. energy: 0.076 local terms energy: -544.030567 where: bonds (distance) C4'-P energy: -147.726 bonds (distance) P-C4' energy: -127.903 flat angles C4'-P-C4' energy: -139.041 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -51.719 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: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -934.187953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.187953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.187953 (E_RNA) where: Base-Base interactions energy: -442.481 where: short stacking energy: -265.885 Base-Backbone interact. energy: 2.235 local terms energy: -493.941868 where: bonds (distance) C4'-P energy: -125.529 bonds (distance) P-C4' energy: -158.611 flat angles C4'-P-C4' energy: -135.021 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: 4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3082.729524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.729524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.729524 (E_RNA) where: Base-Base interactions energy: -2152.186 where: short stacking energy: -920.861 Base-Backbone interact. energy: -3.343 local terms energy: -927.200932 where: bonds (distance) C4'-P energy: -169.985 bonds (distance) P-C4' energy: -186.344 flat angles C4'-P-C4' energy: -186.154 flat angles P-C4'-P energy: -116.333 tors. eta vs tors. theta energy: -268.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -3016.809712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.809712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.809712 (E_RNA) where: Base-Base interactions energy: -2069.152 where: short stacking energy: -922.078 Base-Backbone interact. energy: -3.252 local terms energy: -944.405008 where: bonds (distance) C4'-P energy: -172.971 bonds (distance) P-C4' energy: -153.371 flat angles C4'-P-C4' energy: -213.713 flat angles P-C4'-P energy: -136.909 tors. eta vs tors. theta energy: -267.442 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: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2798.792941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.792941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.792941 (E_RNA) where: Base-Base interactions energy: -1919.533 where: short stacking energy: -876.707 Base-Backbone interact. energy: 3.484 local terms energy: -882.743907 where: bonds (distance) C4'-P energy: -160.221 bonds (distance) P-C4' energy: -170.252 flat angles C4'-P-C4' energy: -193.408 flat angles P-C4'-P energy: -96.735 tors. eta vs tors. theta energy: -262.127 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: 249 Temperature: 1.050000 Total energy: -2627.331208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.331208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.331208 (E_RNA) where: Base-Base interactions energy: -1803.557 where: short stacking energy: -773.349 Base-Backbone interact. energy: -1.887 local terms energy: -821.887099 where: bonds (distance) C4'-P energy: -153.852 bonds (distance) P-C4' energy: -163.319 flat angles C4'-P-C4' energy: -188.896 flat angles P-C4'-P energy: -112.982 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: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2429.165777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.165777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.165777 (E_RNA) where: Base-Base interactions energy: -1652.436 where: short stacking energy: -676.307 Base-Backbone interact. energy: -2.472 local terms energy: -774.258236 where: bonds (distance) C4'-P energy: -159.151 bonds (distance) P-C4' energy: -161.449 flat angles C4'-P-C4' energy: -167.516 flat angles P-C4'-P energy: -122.849 tors. eta vs tors. theta energy: -163.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2107.602088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.602088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.602088 (E_RNA) where: Base-Base interactions energy: -1387.508 where: short stacking energy: -654.127 Base-Backbone interact. energy: -2.192 local terms energy: -717.902221 where: bonds (distance) C4'-P energy: -138.524 bonds (distance) P-C4' energy: -162.902 flat angles C4'-P-C4' energy: -153.766 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -151.840 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: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1974.988405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.988405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.988405 (E_RNA) where: Base-Base interactions energy: -1305.232 where: short stacking energy: -577.731 Base-Backbone interact. energy: -3.680 local terms energy: -666.076303 where: bonds (distance) C4'-P energy: -137.441 bonds (distance) P-C4' energy: -150.831 flat angles C4'-P-C4' energy: -156.973 flat angles P-C4'-P energy: -106.625 tors. eta vs tors. theta energy: -114.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1514.740670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.740670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.740670 (E_RNA) where: Base-Base interactions energy: -927.092 where: short stacking energy: -420.228 Base-Backbone interact. energy: -2.672 local terms energy: -584.976401 where: bonds (distance) C4'-P energy: -130.384 bonds (distance) P-C4' energy: -171.610 flat angles C4'-P-C4' energy: -156.431 flat angles P-C4'-P energy: -77.660 tors. eta vs tors. theta energy: -48.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1103.536279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.536279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.536279 (E_RNA) where: Base-Base interactions energy: -608.318 where: short stacking energy: -333.462 Base-Backbone interact. energy: 1.153 local terms energy: -496.371550 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -161.389 flat angles C4'-P-C4' energy: -109.455 flat angles P-C4'-P energy: -74.593 tors. eta vs tors. theta energy: -3.184 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: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -891.087916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.087916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.087916 (E_RNA) where: Base-Base interactions energy: -414.257 where: short stacking energy: -236.931 Base-Backbone interact. energy: -2.580 local terms energy: -474.251049 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -154.090 flat angles C4'-P-C4' energy: -121.006 flat angles P-C4'-P energy: -64.814 tors. eta vs tors. theta energy: 20.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3123.368410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.368410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.368410 (E_RNA) where: Base-Base interactions energy: -2158.509 where: short stacking energy: -915.645 Base-Backbone interact. energy: -3.200 local terms energy: -961.659328 where: bonds (distance) C4'-P energy: -190.011 bonds (distance) P-C4' energy: -182.825 flat angles C4'-P-C4' energy: -199.537 flat angles P-C4'-P energy: -131.413 tors. eta vs tors. theta energy: -257.874 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: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2962.457642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.457642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.457642 (E_RNA) where: Base-Base interactions energy: -2016.513 where: short stacking energy: -920.304 Base-Backbone interact. energy: 0.194 local terms energy: -946.138275 where: bonds (distance) C4'-P energy: -158.852 bonds (distance) P-C4' energy: -180.870 flat angles C4'-P-C4' energy: -206.848 flat angles P-C4'-P energy: -132.908 tors. eta vs tors. theta energy: -266.661 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: 250 Temperature: 1.000000 Total energy: -2799.352520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.352520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.352520 (E_RNA) where: Base-Base interactions energy: -1886.889 where: short stacking energy: -830.273 Base-Backbone interact. energy: -1.895 local terms energy: -910.569315 where: bonds (distance) C4'-P energy: -143.659 bonds (distance) P-C4' energy: -183.711 flat angles C4'-P-C4' energy: -204.364 flat angles P-C4'-P energy: -130.601 tors. eta vs tors. theta energy: -248.235 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2682.316276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.316276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.316276 (E_RNA) where: Base-Base interactions energy: -1820.492 where: short stacking energy: -807.867 Base-Backbone interact. energy: 0.502 local terms energy: -862.326367 where: bonds (distance) C4'-P energy: -173.555 bonds (distance) P-C4' energy: -162.563 flat angles C4'-P-C4' energy: -179.695 flat angles P-C4'-P energy: -131.681 tors. eta vs tors. theta energy: -214.832 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: 250 Temperature: 1.100000 Total energy: -2351.593292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.593292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.593292 (E_RNA) where: Base-Base interactions energy: -1594.038 where: short stacking energy: -672.684 Base-Backbone interact. energy: -3.845 local terms energy: -753.710564 where: bonds (distance) C4'-P energy: -141.801 bonds (distance) P-C4' energy: -167.118 flat angles C4'-P-C4' energy: -177.687 flat angles P-C4'-P energy: -110.857 tors. eta vs tors. theta energy: -156.248 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2221.265382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.265382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.265382 (E_RNA) where: Base-Base interactions energy: -1479.597 where: short stacking energy: -668.129 Base-Backbone interact. energy: -1.434 local terms energy: -740.234183 where: bonds (distance) C4'-P energy: -139.225 bonds (distance) P-C4' energy: -145.676 flat angles C4'-P-C4' energy: -165.487 flat angles P-C4'-P energy: -111.134 tors. eta vs tors. theta energy: -178.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1955.591978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.591978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.591978 (E_RNA) where: Base-Base interactions energy: -1319.267 where: short stacking energy: -568.319 Base-Backbone interact. energy: 2.818 local terms energy: -639.142691 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -144.645 flat angles C4'-P-C4' energy: -156.820 flat angles P-C4'-P energy: -90.075 tors. eta vs tors. theta energy: -110.670 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: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1506.124131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.124131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.124131 (E_RNA) where: Base-Base interactions energy: -929.960 where: short stacking energy: -448.399 Base-Backbone interact. energy: -0.687 local terms energy: -575.476880 where: bonds (distance) C4'-P energy: -152.265 bonds (distance) P-C4' energy: -131.836 flat angles C4'-P-C4' energy: -133.352 flat angles P-C4'-P energy: -99.865 tors. eta vs tors. theta energy: -58.160 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: 250 Temperature: 1.300000 Total energy: -1183.546508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.546508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.546508 (E_RNA) where: Base-Base interactions energy: -625.023 where: short stacking energy: -353.775 Base-Backbone interact. energy: 2.441 local terms energy: -560.965051 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -157.158 flat angles C4'-P-C4' energy: -132.956 flat angles P-C4'-P energy: -88.491 tors. eta vs tors. theta energy: -29.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -877.283431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.283431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.283431 (E_RNA) where: Base-Base interactions energy: -445.056 where: short stacking energy: -249.999 Base-Backbone interact. energy: -3.828 local terms energy: -428.399355 where: bonds (distance) C4'-P energy: -130.178 bonds (distance) P-C4' energy: -134.470 flat angles C4'-P-C4' energy: -112.383 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: 15.252 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: 251 Temperature: 0.900000 Total energy: -3079.071976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.071976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.071976 (E_RNA) where: Base-Base interactions energy: -2081.483 where: short stacking energy: -928.812 Base-Backbone interact. energy: -0.905 local terms energy: -996.683932 where: bonds (distance) C4'-P energy: -183.781 bonds (distance) P-C4' energy: -199.204 flat angles C4'-P-C4' energy: -213.526 flat angles P-C4'-P energy: -137.005 tors. eta vs tors. theta energy: -263.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2931.189316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.189316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.189316 (E_RNA) where: Base-Base interactions energy: -1993.019 where: short stacking energy: -922.963 Base-Backbone interact. energy: -1.067 local terms energy: -937.103501 where: bonds (distance) C4'-P energy: -173.114 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -196.058 flat angles P-C4'-P energy: -136.003 tors. eta vs tors. theta energy: -267.303 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: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2778.375871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.375871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.375871 (E_RNA) where: Base-Base interactions energy: -1877.631 where: short stacking energy: -860.586 Base-Backbone interact. energy: -2.718 local terms energy: -898.027290 where: bonds (distance) C4'-P energy: -166.368 bonds (distance) P-C4' energy: -177.074 flat angles C4'-P-C4' energy: -204.283 flat angles P-C4'-P energy: -109.012 tors. eta vs tors. theta energy: -241.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2631.690405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.690405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.690405 (E_RNA) where: Base-Base interactions energy: -1804.105 where: short stacking energy: -790.444 Base-Backbone interact. energy: 0.199 local terms energy: -827.784926 where: bonds (distance) C4'-P energy: -155.332 bonds (distance) P-C4' energy: -151.320 flat angles C4'-P-C4' energy: -187.374 flat angles P-C4'-P energy: -133.541 tors. eta vs tors. theta energy: -200.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2299.866126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.866126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.866126 (E_RNA) where: Base-Base interactions energy: -1536.354 where: short stacking energy: -687.705 Base-Backbone interact. energy: 1.345 local terms energy: -764.857712 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -158.044 flat angles C4'-P-C4' energy: -184.341 flat angles P-C4'-P energy: -107.159 tors. eta vs tors. theta energy: -160.691 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: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2242.949695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.949695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.949695 (E_RNA) where: Base-Base interactions energy: -1524.703 where: short stacking energy: -663.840 Base-Backbone interact. energy: 2.397 local terms energy: -720.643374 where: bonds (distance) C4'-P energy: -124.301 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -155.156 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -186.341 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: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1925.284612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.284612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.284612 (E_RNA) where: Base-Base interactions energy: -1292.534 where: short stacking energy: -539.917 Base-Backbone interact. energy: 1.207 local terms energy: -633.956912 where: bonds (distance) C4'-P energy: -137.891 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -88.294 tors. eta vs tors. theta energy: -96.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1612.497814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.497814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.497814 (E_RNA) where: Base-Base interactions energy: -998.499 where: short stacking energy: -443.675 Base-Backbone interact. energy: 4.994 local terms energy: -618.992907 where: bonds (distance) C4'-P energy: -161.563 bonds (distance) P-C4' energy: -138.747 flat angles C4'-P-C4' energy: -136.952 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -74.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1093.185186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.185186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.185186 (E_RNA) where: Base-Base interactions energy: -599.546 where: short stacking energy: -309.680 Base-Backbone interact. energy: -0.407 local terms energy: -493.232539 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -128.682 flat angles C4'-P-C4' energy: -129.302 flat angles P-C4'-P energy: -77.685 tors. eta vs tors. theta energy: -27.142 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: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -856.106317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.106317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.106317 (E_RNA) where: Base-Base interactions energy: -391.952 where: short stacking energy: -237.404 Base-Backbone interact. energy: -0.531 local terms energy: -463.622790 where: bonds (distance) C4'-P energy: -135.473 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -132.109 flat angles P-C4'-P energy: -76.207 tors. eta vs tors. theta energy: 10.891 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: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3101.561039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.561039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.561039 (E_RNA) where: Base-Base interactions energy: -2115.513 where: short stacking energy: -934.328 Base-Backbone interact. energy: -2.311 local terms energy: -983.737332 where: bonds (distance) C4'-P energy: -188.890 bonds (distance) P-C4' energy: -196.548 flat angles C4'-P-C4' energy: -213.591 flat angles P-C4'-P energy: -118.832 tors. eta vs tors. theta energy: -265.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2990.411920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.411920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.411920 (E_RNA) where: Base-Base interactions energy: -2065.143 where: short stacking energy: -939.998 Base-Backbone interact. energy: -3.016 local terms energy: -922.252097 where: bonds (distance) C4'-P energy: -166.985 bonds (distance) P-C4' energy: -172.950 flat angles C4'-P-C4' energy: -193.503 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -274.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2809.636835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.636835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.636835 (E_RNA) where: Base-Base interactions energy: -1905.437 where: short stacking energy: -835.947 Base-Backbone interact. energy: -4.357 local terms energy: -899.842732 where: bonds (distance) C4'-P energy: -168.453 bonds (distance) P-C4' energy: -175.223 flat angles C4'-P-C4' energy: -195.024 flat angles P-C4'-P energy: -127.403 tors. eta vs tors. theta energy: -233.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2647.481817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.481817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.481817 (E_RNA) where: Base-Base interactions energy: -1864.075 where: short stacking energy: -806.022 Base-Backbone interact. energy: 0.797 local terms energy: -784.204720 where: bonds (distance) C4'-P energy: -139.454 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -177.629 flat angles P-C4'-P energy: -104.515 tors. eta vs tors. theta energy: -206.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2348.831303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.831303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.831303 (E_RNA) where: Base-Base interactions energy: -1548.861 where: short stacking energy: -700.832 Base-Backbone interact. energy: 0.005 local terms energy: -799.974659 where: bonds (distance) C4'-P energy: -159.628 bonds (distance) P-C4' energy: -170.157 flat angles C4'-P-C4' energy: -176.180 flat angles P-C4'-P energy: -116.744 tors. eta vs tors. theta energy: -177.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2192.192374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.192374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.192374 (E_RNA) where: Base-Base interactions energy: -1452.728 where: short stacking energy: -642.569 Base-Backbone interact. energy: -1.974 local terms energy: -737.490909 where: bonds (distance) C4'-P energy: -152.825 bonds (distance) P-C4' energy: -151.341 flat angles C4'-P-C4' energy: -161.815 flat angles P-C4'-P energy: -114.063 tors. eta vs tors. theta energy: -157.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1824.085521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.085521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.085521 (E_RNA) where: Base-Base interactions energy: -1201.122 where: short stacking energy: -542.767 Base-Backbone interact. energy: 2.791 local terms energy: -625.754193 where: bonds (distance) C4'-P energy: -121.948 bonds (distance) P-C4' energy: -152.795 flat angles C4'-P-C4' energy: -158.263 flat angles P-C4'-P energy: -101.894 tors. eta vs tors. theta energy: -90.854 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: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1645.147484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.147484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.147484 (E_RNA) where: Base-Base interactions energy: -1050.529 where: short stacking energy: -499.581 Base-Backbone interact. energy: 1.771 local terms energy: -596.388984 where: bonds (distance) C4'-P energy: -144.519 bonds (distance) P-C4' energy: -134.764 flat angles C4'-P-C4' energy: -153.916 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -77.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1061.409560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.409560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.409560 (E_RNA) where: Base-Base interactions energy: -528.890 where: short stacking energy: -321.936 Base-Backbone interact. energy: 0.068 local terms energy: -532.587553 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -152.172 flat angles C4'-P-C4' energy: -153.698 flat angles P-C4'-P energy: -85.974 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -870.381102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.381102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.381102 (E_RNA) where: Base-Base interactions energy: -395.689 where: short stacking energy: -271.569 Base-Backbone interact. energy: 3.061 local terms energy: -477.752901 where: bonds (distance) C4'-P energy: -123.810 bonds (distance) P-C4' energy: -163.993 flat angles C4'-P-C4' energy: -111.651 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3110.565068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.565068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.565068 (E_RNA) where: Base-Base interactions energy: -2135.074 where: short stacking energy: -951.980 Base-Backbone interact. energy: -3.046 local terms energy: -972.445018 where: bonds (distance) C4'-P energy: -180.437 bonds (distance) P-C4' energy: -183.419 flat angles C4'-P-C4' energy: -193.542 flat angles P-C4'-P energy: -141.353 tors. eta vs tors. theta energy: -273.693 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: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2969.305748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.305748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.305748 (E_RNA) where: Base-Base interactions energy: -2011.200 where: short stacking energy: -918.804 Base-Backbone interact. energy: -4.004 local terms energy: -954.102586 where: bonds (distance) C4'-P energy: -163.022 bonds (distance) P-C4' energy: -178.453 flat angles C4'-P-C4' energy: -204.173 flat angles P-C4'-P energy: -139.957 tors. eta vs tors. theta energy: -268.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2816.418660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.418660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.418660 (E_RNA) where: Base-Base interactions energy: -1920.881 where: short stacking energy: -853.348 Base-Backbone interact. energy: -1.920 local terms energy: -893.617813 where: bonds (distance) C4'-P energy: -151.575 bonds (distance) P-C4' energy: -183.608 flat angles C4'-P-C4' energy: -193.030 flat angles P-C4'-P energy: -127.962 tors. eta vs tors. theta energy: -237.443 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: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2651.601238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.601238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.601238 (E_RNA) where: Base-Base interactions energy: -1821.958 where: short stacking energy: -797.707 Base-Backbone interact. energy: 1.991 local terms energy: -831.634469 where: bonds (distance) C4'-P energy: -149.003 bonds (distance) P-C4' energy: -169.599 flat angles C4'-P-C4' energy: -191.074 flat angles P-C4'-P energy: -102.748 tors. eta vs tors. theta energy: -219.209 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: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2338.151473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.151473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.151473 (E_RNA) where: Base-Base interactions energy: -1531.376 where: short stacking energy: -697.317 Base-Backbone interact. energy: -1.267 local terms energy: -805.508376 where: bonds (distance) C4'-P energy: -162.829 bonds (distance) P-C4' energy: -183.510 flat angles C4'-P-C4' energy: -163.712 flat angles P-C4'-P energy: -117.902 tors. eta vs tors. theta energy: -177.556 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: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2198.594888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.594888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.594888 (E_RNA) where: Base-Base interactions energy: -1458.914 where: short stacking energy: -627.852 Base-Backbone interact. energy: 2.038 local terms energy: -741.718310 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -177.714 flat angles C4'-P-C4' energy: -161.983 flat angles P-C4'-P energy: -101.061 tors. eta vs tors. theta energy: -160.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1800.125001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.125001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.125001 (E_RNA) where: Base-Base interactions energy: -1142.975 where: short stacking energy: -499.053 Base-Backbone interact. energy: -2.977 local terms energy: -654.172926 where: bonds (distance) C4'-P energy: -144.871 bonds (distance) P-C4' energy: -152.579 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -94.962 tors. eta vs tors. theta energy: -102.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1526.930622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.930622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.930622 (E_RNA) where: Base-Base interactions energy: -949.830 where: short stacking energy: -424.831 Base-Backbone interact. energy: 0.725 local terms energy: -577.826028 where: bonds (distance) C4'-P energy: -129.651 bonds (distance) P-C4' energy: -169.220 flat angles C4'-P-C4' energy: -135.329 flat angles P-C4'-P energy: -83.230 tors. eta vs tors. theta energy: -60.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1123.390600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.390600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.390600 (E_RNA) where: Base-Base interactions energy: -578.558 where: short stacking energy: -302.046 Base-Backbone interact. energy: 3.148 local terms energy: -547.980023 where: bonds (distance) C4'-P energy: -150.098 bonds (distance) P-C4' energy: -135.033 flat angles C4'-P-C4' energy: -137.975 flat angles P-C4'-P energy: -96.219 tors. eta vs tors. theta energy: -28.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -808.915318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.915318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.915318 (E_RNA) where: Base-Base interactions energy: -367.891 where: short stacking energy: -202.549 Base-Backbone interact. energy: 11.794 local terms energy: -452.818662 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -130.892 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: 23.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3084.848614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.848614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.848614 (E_RNA) where: Base-Base interactions energy: -2146.913 where: short stacking energy: -935.857 Base-Backbone interact. energy: -2.961 local terms energy: -934.974446 where: bonds (distance) C4'-P energy: -160.661 bonds (distance) P-C4' energy: -175.662 flat angles C4'-P-C4' energy: -191.440 flat angles P-C4'-P energy: -137.549 tors. eta vs tors. theta energy: -269.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2969.349173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.349173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.349173 (E_RNA) where: Base-Base interactions energy: -2019.771 where: short stacking energy: -892.152 Base-Backbone interact. energy: -2.818 local terms energy: -946.760354 where: bonds (distance) C4'-P energy: -174.708 bonds (distance) P-C4' energy: -172.981 flat angles C4'-P-C4' energy: -202.332 flat angles P-C4'-P energy: -132.326 tors. eta vs tors. theta energy: -264.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2839.675443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.675443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.675443 (E_RNA) where: Base-Base interactions energy: -1938.835 where: short stacking energy: -869.863 Base-Backbone interact. energy: -3.170 local terms energy: -897.669956 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -166.877 flat angles C4'-P-C4' energy: -194.450 flat angles P-C4'-P energy: -130.482 tors. eta vs tors. theta energy: -242.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2625.531452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.531452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.531452 (E_RNA) where: Base-Base interactions energy: -1777.879 where: short stacking energy: -781.409 Base-Backbone interact. energy: -3.080 local terms energy: -844.572801 where: bonds (distance) C4'-P energy: -155.792 bonds (distance) P-C4' energy: -185.896 flat angles C4'-P-C4' energy: -173.646 flat angles P-C4'-P energy: -105.284 tors. eta vs tors. theta energy: -223.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2424.242091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.242091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.242091 (E_RNA) where: Base-Base interactions energy: -1644.044 where: short stacking energy: -735.621 Base-Backbone interact. energy: 0.272 local terms energy: -780.469611 where: bonds (distance) C4'-P energy: -157.871 bonds (distance) P-C4' energy: -149.270 flat angles C4'-P-C4' energy: -185.025 flat angles P-C4'-P energy: -104.154 tors. eta vs tors. theta energy: -184.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2178.387966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.387966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.387966 (E_RNA) where: Base-Base interactions energy: -1410.044 where: short stacking energy: -646.762 Base-Backbone interact. energy: 2.266 local terms energy: -770.610562 where: bonds (distance) C4'-P energy: -162.755 bonds (distance) P-C4' energy: -158.648 flat angles C4'-P-C4' energy: -171.304 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -163.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1772.161587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.161587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.161587 (E_RNA) where: Base-Base interactions energy: -1093.905 where: short stacking energy: -524.579 Base-Backbone interact. energy: 3.946 local terms energy: -682.202717 where: bonds (distance) C4'-P energy: -154.243 bonds (distance) P-C4' energy: -156.402 flat angles C4'-P-C4' energy: -153.304 flat angles P-C4'-P energy: -105.531 tors. eta vs tors. theta energy: -112.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1563.761321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.761321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.761321 (E_RNA) where: Base-Base interactions energy: -938.023 where: short stacking energy: -425.862 Base-Backbone interact. energy: -1.481 local terms energy: -624.256983 where: bonds (distance) C4'-P energy: -162.269 bonds (distance) P-C4' energy: -167.359 flat angles C4'-P-C4' energy: -129.415 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -72.357 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: 254 Temperature: 1.300000 Total energy: -1121.925492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.925492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.925492 (E_RNA) where: Base-Base interactions energy: -576.674 where: short stacking energy: -320.598 Base-Backbone interact. energy: -0.321 local terms energy: -544.930605 where: bonds (distance) C4'-P energy: -134.419 bonds (distance) P-C4' energy: -161.011 flat angles C4'-P-C4' energy: -148.918 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -38.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -723.031271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.031271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.031271 (E_RNA) where: Base-Base interactions energy: -276.828 where: short stacking energy: -186.850 Base-Backbone interact. energy: 1.464 local terms energy: -447.666645 where: bonds (distance) C4'-P energy: -138.017 bonds (distance) P-C4' energy: -140.174 flat angles C4'-P-C4' energy: -116.836 flat angles P-C4'-P energy: -89.452 tors. eta vs tors. theta energy: 36.812 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: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3075.305807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.305807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.305807 (E_RNA) where: Base-Base interactions energy: -2118.951 where: short stacking energy: -928.362 Base-Backbone interact. energy: -3.383 local terms energy: -952.972138 where: bonds (distance) C4'-P energy: -170.777 bonds (distance) P-C4' energy: -174.712 flat angles C4'-P-C4' energy: -195.302 flat angles P-C4'-P energy: -146.702 tors. eta vs tors. theta energy: -265.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -3007.947231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.947231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.947231 (E_RNA) where: Base-Base interactions energy: -2076.283 where: short stacking energy: -913.188 Base-Backbone interact. energy: -4.753 local terms energy: -926.911343 where: bonds (distance) C4'-P energy: -161.708 bonds (distance) P-C4' energy: -168.803 flat angles C4'-P-C4' energy: -191.005 flat angles P-C4'-P energy: -147.793 tors. eta vs tors. theta energy: -257.602 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: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2887.777687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.777687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.777687 (E_RNA) where: Base-Base interactions energy: -1977.811 where: short stacking energy: -898.539 Base-Backbone interact. energy: 0.659 local terms energy: -910.625907 where: bonds (distance) C4'-P energy: -165.175 bonds (distance) P-C4' energy: -171.216 flat angles C4'-P-C4' energy: -183.100 flat angles P-C4'-P energy: -139.419 tors. eta vs tors. theta energy: -251.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2626.256356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.256356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.256356 (E_RNA) where: Base-Base interactions energy: -1820.932 where: short stacking energy: -793.731 Base-Backbone interact. energy: -4.013 local terms energy: -801.310904 where: bonds (distance) C4'-P energy: -146.676 bonds (distance) P-C4' energy: -154.033 flat angles C4'-P-C4' energy: -175.660 flat angles P-C4'-P energy: -131.982 tors. eta vs tors. theta energy: -192.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2433.140928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.140928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.140928 (E_RNA) where: Base-Base interactions energy: -1616.595 where: short stacking energy: -729.868 Base-Backbone interact. energy: -3.807 local terms energy: -812.738735 where: bonds (distance) C4'-P energy: -164.397 bonds (distance) P-C4' energy: -155.609 flat angles C4'-P-C4' energy: -180.771 flat angles P-C4'-P energy: -113.747 tors. eta vs tors. theta energy: -198.216 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: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2148.395425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.395425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.395425 (E_RNA) where: Base-Base interactions energy: -1410.691 where: short stacking energy: -633.756 Base-Backbone interact. energy: -0.767 local terms energy: -736.937785 where: bonds (distance) C4'-P energy: -143.943 bonds (distance) P-C4' energy: -170.148 flat angles C4'-P-C4' energy: -168.290 flat angles P-C4'-P energy: -99.128 tors. eta vs tors. theta energy: -155.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1847.137250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.137250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.137250 (E_RNA) where: Base-Base interactions energy: -1183.488 where: short stacking energy: -519.370 Base-Backbone interact. energy: 2.437 local terms energy: -666.086944 where: bonds (distance) C4'-P energy: -161.466 bonds (distance) P-C4' energy: -151.666 flat angles C4'-P-C4' energy: -163.116 flat angles P-C4'-P energy: -78.915 tors. eta vs tors. theta energy: -110.924 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: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1546.723319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.723319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.723319 (E_RNA) where: Base-Base interactions energy: -966.785 where: short stacking energy: -426.804 Base-Backbone interact. energy: 4.337 local terms energy: -584.274566 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -133.198 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -61.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1060.110168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.110168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.110168 (E_RNA) where: Base-Base interactions energy: -563.963 where: short stacking energy: -283.035 Base-Backbone interact. energy: 6.560 local terms energy: -502.707367 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -139.830 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: 7.147 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: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -760.125466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.125466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.125466 (E_RNA) where: Base-Base interactions energy: -326.576 where: short stacking energy: -243.347 Base-Backbone interact. energy: 5.819 local terms energy: -439.369341 where: bonds (distance) C4'-P energy: -137.690 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -113.875 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: 35.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3064.876174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.876174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.876174 (E_RNA) where: Base-Base interactions energy: -2075.391 where: short stacking energy: -914.853 Base-Backbone interact. energy: -1.164 local terms energy: -988.321385 where: bonds (distance) C4'-P energy: -166.056 bonds (distance) P-C4' energy: -198.355 flat angles C4'-P-C4' energy: -207.686 flat angles P-C4'-P energy: -149.603 tors. eta vs tors. theta energy: -266.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2992.002182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.002182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.002182 (E_RNA) where: Base-Base interactions energy: -2018.984 where: short stacking energy: -926.341 Base-Backbone interact. energy: 0.958 local terms energy: -973.975467 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -173.690 flat angles C4'-P-C4' energy: -214.322 flat angles P-C4'-P energy: -150.606 tors. eta vs tors. theta energy: -271.162 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: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2836.108021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.108021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.108021 (E_RNA) where: Base-Base interactions energy: -1920.395 where: short stacking energy: -885.872 Base-Backbone interact. energy: -4.360 local terms energy: -911.353771 where: bonds (distance) C4'-P energy: -167.980 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -205.049 flat angles P-C4'-P energy: -127.693 tors. eta vs tors. theta energy: -258.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2581.552436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.552436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.552436 (E_RNA) where: Base-Base interactions energy: -1743.590 where: short stacking energy: -781.435 Base-Backbone interact. energy: -3.404 local terms energy: -834.558511 where: bonds (distance) C4'-P energy: -153.779 bonds (distance) P-C4' energy: -168.653 flat angles C4'-P-C4' energy: -186.426 flat angles P-C4'-P energy: -121.093 tors. eta vs tors. theta energy: -204.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2445.037133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.037133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.037133 (E_RNA) where: Base-Base interactions energy: -1669.968 where: short stacking energy: -711.047 Base-Backbone interact. energy: -0.700 local terms energy: -774.369421 where: bonds (distance) C4'-P energy: -144.103 bonds (distance) P-C4' energy: -166.031 flat angles C4'-P-C4' energy: -171.061 flat angles P-C4'-P energy: -124.931 tors. eta vs tors. theta energy: -168.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2135.635210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.635210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.635210 (E_RNA) where: Base-Base interactions energy: -1424.292 where: short stacking energy: -639.523 Base-Backbone interact. energy: 4.476 local terms energy: -715.818728 where: bonds (distance) C4'-P energy: -130.398 bonds (distance) P-C4' energy: -166.026 flat angles C4'-P-C4' energy: -166.460 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -144.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1932.653677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.653677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.653677 (E_RNA) where: Base-Base interactions energy: -1251.299 where: short stacking energy: -537.162 Base-Backbone interact. energy: -2.819 local terms energy: -678.536616 where: bonds (distance) C4'-P energy: -154.193 bonds (distance) P-C4' energy: -157.321 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -90.236 tors. eta vs tors. theta energy: -129.725 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: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1588.416256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.416256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.416256 (E_RNA) where: Base-Base interactions energy: -976.554 where: short stacking energy: -435.067 Base-Backbone interact. energy: -0.950 local terms energy: -610.912680 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -148.864 flat angles C4'-P-C4' energy: -159.697 flat angles P-C4'-P energy: -71.973 tors. eta vs tors. theta energy: -86.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1062.186711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.186711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.186711 (E_RNA) where: Base-Base interactions energy: -537.978 where: short stacking energy: -278.687 Base-Backbone interact. energy: -2.609 local terms energy: -521.600400 where: bonds (distance) C4'-P energy: -126.759 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -149.629 flat angles P-C4'-P energy: -77.426 tors. eta vs tors. theta energy: -9.443 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: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -872.723788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.723788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.723788 (E_RNA) where: Base-Base interactions energy: -416.687 where: short stacking energy: -256.048 Base-Backbone interact. energy: -2.808 local terms energy: -453.228477 where: bonds (distance) C4'-P energy: -135.708 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -129.345 flat angles P-C4'-P energy: -78.596 tors. eta vs tors. theta energy: 18.927 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: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3104.419589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.419589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.419589 (E_RNA) where: Base-Base interactions energy: -2142.650 where: short stacking energy: -942.243 Base-Backbone interact. energy: -1.937 local terms energy: -959.833000 where: bonds (distance) C4'-P energy: -172.639 bonds (distance) P-C4' energy: -176.834 flat angles C4'-P-C4' energy: -201.975 flat angles P-C4'-P energy: -150.425 tors. eta vs tors. theta energy: -257.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2948.432978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.432978 (E_RNA) where: Base-Base interactions energy: -2015.463 where: short stacking energy: -890.361 Base-Backbone interact. energy: -0.776 local terms energy: -932.193619 where: bonds (distance) C4'-P energy: -169.782 bonds (distance) P-C4' energy: -175.273 flat angles C4'-P-C4' energy: -196.141 flat angles P-C4'-P energy: -121.192 tors. eta vs tors. theta energy: -269.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2864.284815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.284815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.284815 (E_RNA) where: Base-Base interactions energy: -1913.674 where: short stacking energy: -888.003 Base-Backbone interact. energy: -1.896 local terms energy: -948.715103 where: bonds (distance) C4'-P energy: -180.491 bonds (distance) P-C4' energy: -156.669 flat angles C4'-P-C4' energy: -205.633 flat angles P-C4'-P energy: -140.705 tors. eta vs tors. theta energy: -265.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2571.425372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.425372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.425372 (E_RNA) where: Base-Base interactions energy: -1714.237 where: short stacking energy: -763.902 Base-Backbone interact. energy: -2.251 local terms energy: -854.937352 where: bonds (distance) C4'-P energy: -164.656 bonds (distance) P-C4' energy: -172.770 flat angles C4'-P-C4' energy: -196.278 flat angles P-C4'-P energy: -115.332 tors. eta vs tors. theta energy: -205.900 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: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2462.762546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.762546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.762546 (E_RNA) where: Base-Base interactions energy: -1631.118 where: short stacking energy: -754.044 Base-Backbone interact. energy: 3.952 local terms energy: -835.596700 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -158.283 flat angles C4'-P-C4' energy: -174.890 flat angles P-C4'-P energy: -121.635 tors. eta vs tors. theta energy: -216.907 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: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2093.775153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.775153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.775153 (E_RNA) where: Base-Base interactions energy: -1399.575 where: short stacking energy: -647.250 Base-Backbone interact. energy: -4.568 local terms energy: -689.632242 where: bonds (distance) C4'-P energy: -144.773 bonds (distance) P-C4' energy: -148.341 flat angles C4'-P-C4' energy: -148.701 flat angles P-C4'-P energy: -108.226 tors. eta vs tors. theta energy: -139.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1890.319112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.319112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.319112 (E_RNA) where: Base-Base interactions energy: -1226.284 where: short stacking energy: -541.046 Base-Backbone interact. energy: 3.091 local terms energy: -667.126158 where: bonds (distance) C4'-P energy: -154.557 bonds (distance) P-C4' energy: -151.718 flat angles C4'-P-C4' energy: -173.140 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -107.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1587.604117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.604117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.604117 (E_RNA) where: Base-Base interactions energy: -978.820 where: short stacking energy: -481.612 Base-Backbone interact. energy: 2.845 local terms energy: -611.628944 where: bonds (distance) C4'-P energy: -143.031 bonds (distance) P-C4' energy: -164.591 flat angles C4'-P-C4' energy: -129.689 flat angles P-C4'-P energy: -91.935 tors. eta vs tors. theta energy: -82.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1067.610751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.610751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.610751 (E_RNA) where: Base-Base interactions energy: -559.440 where: short stacking energy: -276.019 Base-Backbone interact. energy: 9.889 local terms energy: -518.059676 where: bonds (distance) C4'-P energy: -135.281 bonds (distance) P-C4' energy: -184.430 flat angles C4'-P-C4' energy: -119.926 flat angles P-C4'-P energy: -90.393 tors. eta vs tors. theta energy: 11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -874.288086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.288086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.288086 (E_RNA) where: Base-Base interactions energy: -443.732 where: short stacking energy: -271.408 Base-Backbone interact. energy: 17.164 local terms energy: -447.720163 where: bonds (distance) C4'-P energy: -137.004 bonds (distance) P-C4' energy: -137.965 flat angles C4'-P-C4' energy: -115.001 flat angles P-C4'-P energy: -55.449 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3068.835908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.835908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.835908 (E_RNA) where: Base-Base interactions energy: -2092.327 where: short stacking energy: -931.501 Base-Backbone interact. energy: -3.554 local terms energy: -972.954890 where: bonds (distance) C4'-P energy: -178.282 bonds (distance) P-C4' energy: -177.910 flat angles C4'-P-C4' energy: -209.932 flat angles P-C4'-P energy: -139.389 tors. eta vs tors. theta energy: -267.442 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: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2951.232781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.232781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.232781 (E_RNA) where: Base-Base interactions energy: -2058.650 where: short stacking energy: -927.145 Base-Backbone interact. energy: -3.118 local terms energy: -889.464568 where: bonds (distance) C4'-P energy: -160.514 bonds (distance) P-C4' energy: -160.380 flat angles C4'-P-C4' energy: -186.040 flat angles P-C4'-P energy: -135.047 tors. eta vs tors. theta energy: -247.483 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: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2837.625989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.625989 (E_RNA) where: Base-Base interactions energy: -1900.079 where: short stacking energy: -875.727 Base-Backbone interact. energy: -5.385 local terms energy: -932.161439 where: bonds (distance) C4'-P energy: -163.840 bonds (distance) P-C4' energy: -182.836 flat angles C4'-P-C4' energy: -189.165 flat angles P-C4'-P energy: -136.021 tors. eta vs tors. theta energy: -260.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2579.739858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.739858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.739858 (E_RNA) where: Base-Base interactions energy: -1746.915 where: short stacking energy: -778.714 Base-Backbone interact. energy: 9.061 local terms energy: -841.886308 where: bonds (distance) C4'-P energy: -162.610 bonds (distance) P-C4' energy: -163.177 flat angles C4'-P-C4' energy: -189.822 flat angles P-C4'-P energy: -123.829 tors. eta vs tors. theta energy: -202.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2489.759990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.759990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.759990 (E_RNA) where: Base-Base interactions energy: -1658.582 where: short stacking energy: -758.543 Base-Backbone interact. energy: -1.992 local terms energy: -829.186190 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -176.642 flat angles C4'-P-C4' energy: -182.419 flat angles P-C4'-P energy: -115.780 tors. eta vs tors. theta energy: -208.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2137.218713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.218713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.218713 (E_RNA) where: Base-Base interactions energy: -1394.288 where: short stacking energy: -618.845 Base-Backbone interact. energy: -1.186 local terms energy: -741.745398 where: bonds (distance) C4'-P energy: -162.339 bonds (distance) P-C4' energy: -162.675 flat angles C4'-P-C4' energy: -180.250 flat angles P-C4'-P energy: -100.040 tors. eta vs tors. theta energy: -136.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1954.945595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.945595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.945595 (E_RNA) where: Base-Base interactions energy: -1301.986 where: short stacking energy: -568.669 Base-Backbone interact. energy: 1.070 local terms energy: -654.029818 where: bonds (distance) C4'-P energy: -155.008 bonds (distance) P-C4' energy: -167.023 flat angles C4'-P-C4' energy: -153.294 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: -126.792 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: 258 Temperature: 1.250000 Total energy: -1695.549052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.549052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.549052 (E_RNA) where: Base-Base interactions energy: -1071.878 where: short stacking energy: -509.176 Base-Backbone interact. energy: -2.758 local terms energy: -620.912860 where: bonds (distance) C4'-P energy: -128.910 bonds (distance) P-C4' energy: -164.176 flat angles C4'-P-C4' energy: -159.015 flat angles P-C4'-P energy: -85.286 tors. eta vs tors. theta energy: -83.527 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: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1109.359929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.359929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.359929 (E_RNA) where: Base-Base interactions energy: -592.463 where: short stacking energy: -298.221 Base-Backbone interact. energy: 0.729 local terms energy: -517.626193 where: bonds (distance) C4'-P energy: -151.499 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: 12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -822.205042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.205042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.205042 (E_RNA) where: Base-Base interactions energy: -352.244 where: short stacking energy: -221.344 Base-Backbone interact. energy: 10.755 local terms energy: -480.716087 where: bonds (distance) C4'-P energy: -145.992 bonds (distance) P-C4' energy: -157.269 flat angles C4'-P-C4' energy: -116.547 flat angles P-C4'-P energy: -77.426 tors. eta vs tors. theta energy: 16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3060.190558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.190558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.190558 (E_RNA) where: Base-Base interactions energy: -2085.497 where: short stacking energy: -926.956 Base-Backbone interact. energy: -3.044 local terms energy: -971.648800 where: bonds (distance) C4'-P energy: -182.837 bonds (distance) P-C4' energy: -176.111 flat angles C4'-P-C4' energy: -210.920 flat angles P-C4'-P energy: -143.990 tors. eta vs tors. theta energy: -257.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2976.641263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.641263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.641263 (E_RNA) where: Base-Base interactions energy: -2017.614 where: short stacking energy: -936.228 Base-Backbone interact. energy: -0.690 local terms energy: -958.337044 where: bonds (distance) C4'-P energy: -170.993 bonds (distance) P-C4' energy: -186.879 flat angles C4'-P-C4' energy: -209.294 flat angles P-C4'-P energy: -130.858 tors. eta vs tors. theta energy: -260.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2886.399744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.399744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.399744 (E_RNA) where: Base-Base interactions energy: -1976.046 where: short stacking energy: -895.154 Base-Backbone interact. energy: -6.253 local terms energy: -904.101182 where: bonds (distance) C4'-P energy: -175.156 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -192.371 flat angles P-C4'-P energy: -130.511 tors. eta vs tors. theta energy: -251.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2600.976558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.976558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.976558 (E_RNA) where: Base-Base interactions energy: -1773.291 where: short stacking energy: -810.476 Base-Backbone interact. energy: -0.465 local terms energy: -827.219651 where: bonds (distance) C4'-P energy: -155.385 bonds (distance) P-C4' energy: -175.618 flat angles C4'-P-C4' energy: -168.712 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -211.548 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: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2517.765495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.765495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.765495 (E_RNA) where: Base-Base interactions energy: -1677.944 where: short stacking energy: -786.473 Base-Backbone interact. energy: 1.958 local terms energy: -841.779576 where: bonds (distance) C4'-P energy: -134.268 bonds (distance) P-C4' energy: -175.562 flat angles C4'-P-C4' energy: -183.286 flat angles P-C4'-P energy: -114.473 tors. eta vs tors. theta energy: -234.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2172.028864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.028864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.028864 (E_RNA) where: Base-Base interactions energy: -1456.792 where: short stacking energy: -628.598 Base-Backbone interact. energy: 1.811 local terms energy: -717.048370 where: bonds (distance) C4'-P energy: -143.958 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -167.684 flat angles P-C4'-P energy: -101.079 tors. eta vs tors. theta energy: -148.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1932.561481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.561481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.561481 (E_RNA) where: Base-Base interactions energy: -1276.451 where: short stacking energy: -576.801 Base-Backbone interact. energy: 4.594 local terms energy: -660.704644 where: bonds (distance) C4'-P energy: -129.795 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -154.088 flat angles P-C4'-P energy: -107.729 tors. eta vs tors. theta energy: -129.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1679.923756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.923756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.923756 (E_RNA) where: Base-Base interactions energy: -1067.517 where: short stacking energy: -486.985 Base-Backbone interact. energy: -2.021 local terms energy: -610.385681 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -138.712 flat angles C4'-P-C4' energy: -168.394 flat angles P-C4'-P energy: -92.446 tors. eta vs tors. theta energy: -81.527 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: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1067.161019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.161019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.161019 (E_RNA) where: Base-Base interactions energy: -552.971 where: short stacking energy: -331.507 Base-Backbone interact. energy: 0.620 local terms energy: -514.809894 where: bonds (distance) C4'-P energy: -148.905 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -141.910 flat angles P-C4'-P energy: -68.715 tors. eta vs tors. theta energy: -20.147 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: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -836.468710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.468710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.468710 (E_RNA) where: Base-Base interactions energy: -391.423 where: short stacking energy: -252.000 Base-Backbone interact. energy: -3.272 local terms energy: -441.773054 where: bonds (distance) C4'-P energy: -141.950 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -118.533 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: 21.472 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: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3063.515458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.515458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.515458 (E_RNA) where: Base-Base interactions energy: -2103.415 where: short stacking energy: -932.085 Base-Backbone interact. energy: -2.973 local terms energy: -957.127438 where: bonds (distance) C4'-P energy: -167.608 bonds (distance) P-C4' energy: -178.801 flat angles C4'-P-C4' energy: -205.409 flat angles P-C4'-P energy: -140.869 tors. eta vs tors. theta energy: -264.440 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: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2945.495870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.495870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.495870 (E_RNA) where: Base-Base interactions energy: -2014.276 where: short stacking energy: -896.360 Base-Backbone interact. energy: -3.686 local terms energy: -927.533811 where: bonds (distance) C4'-P energy: -157.898 bonds (distance) P-C4' energy: -175.559 flat angles C4'-P-C4' energy: -198.961 flat angles P-C4'-P energy: -139.328 tors. eta vs tors. theta energy: -255.788 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: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2886.821480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.821480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.821480 (E_RNA) where: Base-Base interactions energy: -1967.381 where: short stacking energy: -903.747 Base-Backbone interact. energy: -0.594 local terms energy: -918.846842 where: bonds (distance) C4'-P energy: -164.103 bonds (distance) P-C4' energy: -173.674 flat angles C4'-P-C4' energy: -201.008 flat angles P-C4'-P energy: -123.509 tors. eta vs tors. theta energy: -256.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2618.068534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.068534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.068534 (E_RNA) where: Base-Base interactions energy: -1780.843 where: short stacking energy: -804.917 Base-Backbone interact. energy: -1.301 local terms energy: -835.923856 where: bonds (distance) C4'-P energy: -149.069 bonds (distance) P-C4' energy: -172.157 flat angles C4'-P-C4' energy: -169.771 flat angles P-C4'-P energy: -135.388 tors. eta vs tors. theta energy: -209.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2530.173883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.173883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.173883 (E_RNA) where: Base-Base interactions energy: -1708.284 where: short stacking energy: -764.619 Base-Backbone interact. energy: -0.502 local terms energy: -821.387563 where: bonds (distance) C4'-P energy: -151.748 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -187.751 flat angles P-C4'-P energy: -125.696 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: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2187.410800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.410800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.410800 (E_RNA) where: Base-Base interactions energy: -1446.644 where: short stacking energy: -635.482 Base-Backbone interact. energy: -3.190 local terms energy: -737.576480 where: bonds (distance) C4'-P energy: -158.845 bonds (distance) P-C4' energy: -152.005 flat angles C4'-P-C4' energy: -168.840 flat angles P-C4'-P energy: -100.879 tors. eta vs tors. theta energy: -157.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1887.874989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.874989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.874989 (E_RNA) where: Base-Base interactions energy: -1239.950 where: short stacking energy: -541.969 Base-Backbone interact. energy: 1.043 local terms energy: -648.968658 where: bonds (distance) C4'-P energy: -147.783 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -175.327 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -99.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1662.944373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.944373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.944373 (E_RNA) where: Base-Base interactions energy: -1073.167 where: short stacking energy: -502.350 Base-Backbone interact. energy: 4.891 local terms energy: -594.668566 where: bonds (distance) C4'-P energy: -131.808 bonds (distance) P-C4' energy: -167.005 flat angles C4'-P-C4' energy: -121.792 flat angles P-C4'-P energy: -88.790 tors. eta vs tors. theta energy: -85.274 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: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1121.481533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.481533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.481533 (E_RNA) where: Base-Base interactions energy: -631.740 where: short stacking energy: -344.150 Base-Backbone interact. energy: 6.865 local terms energy: -496.606005 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -145.387 flat angles C4'-P-C4' energy: -117.547 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: -43.487 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: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -877.700982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.700982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.700982 (E_RNA) where: Base-Base interactions energy: -437.089 where: short stacking energy: -249.783 Base-Backbone interact. energy: -1.382 local terms energy: -439.229989 where: bonds (distance) C4'-P energy: -134.998 bonds (distance) P-C4' energy: -154.153 flat angles C4'-P-C4' energy: -117.575 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: 26.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3097.394410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.394410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.394410 (E_RNA) where: Base-Base interactions energy: -2123.092 where: short stacking energy: -928.905 Base-Backbone interact. energy: -1.084 local terms energy: -973.218615 where: bonds (distance) C4'-P energy: -182.684 bonds (distance) P-C4' energy: -184.268 flat angles C4'-P-C4' energy: -208.360 flat angles P-C4'-P energy: -126.388 tors. eta vs tors. theta energy: -271.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3000.910331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.910331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.910331 (E_RNA) where: Base-Base interactions energy: -2043.040 where: short stacking energy: -898.737 Base-Backbone interact. energy: -1.071 local terms energy: -956.799702 where: bonds (distance) C4'-P energy: -166.098 bonds (distance) P-C4' energy: -187.394 flat angles C4'-P-C4' energy: -208.440 flat angles P-C4'-P energy: -133.353 tors. eta vs tors. theta energy: -261.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2841.292477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.292477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.292477 (E_RNA) where: Base-Base interactions energy: -1940.328 where: short stacking energy: -873.566 Base-Backbone interact. energy: -0.822 local terms energy: -900.143035 where: bonds (distance) C4'-P energy: -156.369 bonds (distance) P-C4' energy: -183.954 flat angles C4'-P-C4' energy: -190.644 flat angles P-C4'-P energy: -119.246 tors. eta vs tors. theta energy: -249.930 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: 261 Temperature: 1.050000 Total energy: -2616.625102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.625102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.625102 (E_RNA) where: Base-Base interactions energy: -1745.204 where: short stacking energy: -812.318 Base-Backbone interact. energy: 0.072 local terms energy: -871.493092 where: bonds (distance) C4'-P energy: -176.181 bonds (distance) P-C4' energy: -175.228 flat angles C4'-P-C4' energy: -183.934 flat angles P-C4'-P energy: -111.391 tors. eta vs tors. theta energy: -224.758 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2558.609176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.609176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.609176 (E_RNA) where: Base-Base interactions energy: -1732.844 where: short stacking energy: -771.545 Base-Backbone interact. energy: -0.910 local terms energy: -824.855427 where: bonds (distance) C4'-P energy: -152.835 bonds (distance) P-C4' energy: -174.217 flat angles C4'-P-C4' energy: -183.941 flat angles P-C4'-P energy: -96.344 tors. eta vs tors. theta energy: -217.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2157.116885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.116885 (E_RNA) where: Base-Base interactions energy: -1429.400 where: short stacking energy: -609.234 Base-Backbone interact. energy: -1.288 local terms energy: -726.428383 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -159.425 flat angles C4'-P-C4' energy: -156.853 flat angles P-C4'-P energy: -115.870 tors. eta vs tors. theta energy: -145.073 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: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1839.942904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.942904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.942904 (E_RNA) where: Base-Base interactions energy: -1209.985 where: short stacking energy: -546.400 Base-Backbone interact. energy: -3.568 local terms energy: -626.389743 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -163.284 flat angles C4'-P-C4' energy: -162.302 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -92.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1656.644956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.644956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.644956 (E_RNA) where: Base-Base interactions energy: -1033.289 where: short stacking energy: -463.776 Base-Backbone interact. energy: 6.035 local terms energy: -629.391127 where: bonds (distance) C4'-P energy: -162.504 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -154.069 flat angles P-C4'-P energy: -103.909 tors. eta vs tors. theta energy: -58.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1164.954239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.954239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.954239 (E_RNA) where: Base-Base interactions energy: -606.163 where: short stacking energy: -328.821 Base-Backbone interact. energy: 0.370 local terms energy: -559.161854 where: bonds (distance) C4'-P energy: -133.191 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -157.314 flat angles P-C4'-P energy: -85.245 tors. eta vs tors. theta energy: -25.507 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: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -885.882735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.882735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.882735 (E_RNA) where: Base-Base interactions energy: -431.656 where: short stacking energy: -242.913 Base-Backbone interact. energy: 4.608 local terms energy: -458.834074 where: bonds (distance) C4'-P energy: -134.509 bonds (distance) P-C4' energy: -157.283 flat angles C4'-P-C4' energy: -129.111 flat angles P-C4'-P energy: -61.280 tors. eta vs tors. theta energy: 23.349 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: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3078.479191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.479191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.479191 (E_RNA) where: Base-Base interactions energy: -2103.046 where: short stacking energy: -925.925 Base-Backbone interact. energy: -3.215 local terms energy: -972.218773 where: bonds (distance) C4'-P energy: -168.627 bonds (distance) P-C4' energy: -178.536 flat angles C4'-P-C4' energy: -205.622 flat angles P-C4'-P energy: -145.780 tors. eta vs tors. theta energy: -273.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2960.922984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.922984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.922984 (E_RNA) where: Base-Base interactions energy: -2031.405 where: short stacking energy: -893.801 Base-Backbone interact. energy: -4.751 local terms energy: -924.767582 where: bonds (distance) C4'-P energy: -163.967 bonds (distance) P-C4' energy: -169.244 flat angles C4'-P-C4' energy: -210.635 flat angles P-C4'-P energy: -122.169 tors. eta vs tors. theta energy: -258.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2879.623939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.623939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.623939 (E_RNA) where: Base-Base interactions energy: -1984.241 where: short stacking energy: -898.662 Base-Backbone interact. energy: 2.114 local terms energy: -897.496358 where: bonds (distance) C4'-P energy: -158.985 bonds (distance) P-C4' energy: -151.534 flat angles C4'-P-C4' energy: -207.327 flat angles P-C4'-P energy: -119.616 tors. eta vs tors. theta energy: -260.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2613.791452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.791452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.791452 (E_RNA) where: Base-Base interactions energy: -1758.251 where: short stacking energy: -797.129 Base-Backbone interact. energy: -0.733 local terms energy: -854.807105 where: bonds (distance) C4'-P energy: -171.192 bonds (distance) P-C4' energy: -148.888 flat angles C4'-P-C4' energy: -188.492 flat angles P-C4'-P energy: -137.334 tors. eta vs tors. theta energy: -208.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2570.628331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.628331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.628331 (E_RNA) where: Base-Base interactions energy: -1726.002 where: short stacking energy: -803.458 Base-Backbone interact. energy: -3.208 local terms energy: -841.418738 where: bonds (distance) C4'-P energy: -150.972 bonds (distance) P-C4' energy: -177.848 flat angles C4'-P-C4' energy: -182.338 flat angles P-C4'-P energy: -106.600 tors. eta vs tors. theta energy: -223.661 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: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2149.873851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.873851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.873851 (E_RNA) where: Base-Base interactions energy: -1440.643 where: short stacking energy: -638.903 Base-Backbone interact. energy: 5.552 local terms energy: -714.782706 where: bonds (distance) C4'-P energy: -148.449 bonds (distance) P-C4' energy: -163.825 flat angles C4'-P-C4' energy: -170.621 flat angles P-C4'-P energy: -100.639 tors. eta vs tors. theta energy: -131.250 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: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1750.247823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.247823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.247823 (E_RNA) where: Base-Base interactions energy: -1124.369 where: short stacking energy: -491.518 Base-Backbone interact. energy: -1.756 local terms energy: -624.123644 where: bonds (distance) C4'-P energy: -157.465 bonds (distance) P-C4' energy: -151.389 flat angles C4'-P-C4' energy: -151.193 flat angles P-C4'-P energy: -89.565 tors. eta vs tors. theta energy: -74.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1695.657937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.657937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.657937 (E_RNA) where: Base-Base interactions energy: -1076.321 where: short stacking energy: -482.666 Base-Backbone interact. energy: 3.879 local terms energy: -623.215915 where: bonds (distance) C4'-P energy: -174.335 bonds (distance) P-C4' energy: -153.287 flat angles C4'-P-C4' energy: -139.424 flat angles P-C4'-P energy: -96.960 tors. eta vs tors. theta energy: -59.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1121.974890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.974890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.974890 (E_RNA) where: Base-Base interactions energy: -610.170 where: short stacking energy: -315.007 Base-Backbone interact. energy: 1.468 local terms energy: -513.273619 where: bonds (distance) C4'-P energy: -135.346 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -127.926 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -22.704 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: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -927.459086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.459086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.459086 (E_RNA) where: Base-Base interactions energy: -458.291 where: short stacking energy: -275.037 Base-Backbone interact. energy: 4.450 local terms energy: -473.618507 where: bonds (distance) C4'-P energy: -146.733 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -113.332 flat angles P-C4'-P energy: -72.804 tors. eta vs tors. theta energy: 10.078 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: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3069.163088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.163088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.163088 (E_RNA) where: Base-Base interactions energy: -2108.633 where: short stacking energy: -943.076 Base-Backbone interact. energy: -2.272 local terms energy: -958.257808 where: bonds (distance) C4'-P energy: -186.627 bonds (distance) P-C4' energy: -181.480 flat angles C4'-P-C4' energy: -201.037 flat angles P-C4'-P energy: -128.224 tors. eta vs tors. theta energy: -260.890 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: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2924.972388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.972388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.972388 (E_RNA) where: Base-Base interactions energy: -1982.332 where: short stacking energy: -882.072 Base-Backbone interact. energy: -4.333 local terms energy: -938.307692 where: bonds (distance) C4'-P energy: -161.449 bonds (distance) P-C4' energy: -180.681 flat angles C4'-P-C4' energy: -210.084 flat angles P-C4'-P energy: -133.361 tors. eta vs tors. theta energy: -252.733 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: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2865.729010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.729010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.729010 (E_RNA) where: Base-Base interactions energy: -1964.007 where: short stacking energy: -871.827 Base-Backbone interact. energy: 1.449 local terms energy: -903.171102 where: bonds (distance) C4'-P energy: -165.524 bonds (distance) P-C4' energy: -176.863 flat angles C4'-P-C4' energy: -201.249 flat angles P-C4'-P energy: -113.623 tors. eta vs tors. theta energy: -245.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2647.088286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.088286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.088286 (E_RNA) where: Base-Base interactions energy: -1797.294 where: short stacking energy: -802.544 Base-Backbone interact. energy: -0.791 local terms energy: -849.002650 where: bonds (distance) C4'-P energy: -158.862 bonds (distance) P-C4' energy: -164.781 flat angles C4'-P-C4' energy: -191.694 flat angles P-C4'-P energy: -131.188 tors. eta vs tors. theta energy: -202.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2518.419312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.419312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.419312 (E_RNA) where: Base-Base interactions energy: -1682.646 where: short stacking energy: -741.878 Base-Backbone interact. energy: 3.613 local terms energy: -839.385750 where: bonds (distance) C4'-P energy: -167.869 bonds (distance) P-C4' energy: -174.816 flat angles C4'-P-C4' energy: -178.379 flat angles P-C4'-P energy: -110.973 tors. eta vs tors. theta energy: -207.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2164.944628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.944628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.944628 (E_RNA) where: Base-Base interactions energy: -1442.308 where: short stacking energy: -624.248 Base-Backbone interact. energy: -3.350 local terms energy: -719.286461 where: bonds (distance) C4'-P energy: -168.135 bonds (distance) P-C4' energy: -157.059 flat angles C4'-P-C4' energy: -159.461 flat angles P-C4'-P energy: -105.049 tors. eta vs tors. theta energy: -129.582 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: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1842.465398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.465398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.465398 (E_RNA) where: Base-Base interactions energy: -1160.569 where: short stacking energy: -518.956 Base-Backbone interact. energy: 3.793 local terms energy: -685.689777 where: bonds (distance) C4'-P energy: -166.631 bonds (distance) P-C4' energy: -159.873 flat angles C4'-P-C4' energy: -163.863 flat angles P-C4'-P energy: -101.460 tors. eta vs tors. theta energy: -93.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1582.833859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.833859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.833859 (E_RNA) where: Base-Base interactions energy: -1010.349 where: short stacking energy: -448.080 Base-Backbone interact. energy: -4.659 local terms energy: -567.825760 where: bonds (distance) C4'-P energy: -132.304 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -140.771 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -59.071 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1115.899997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.899997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.899997 (E_RNA) where: Base-Base interactions energy: -645.239 where: short stacking energy: -289.413 Base-Backbone interact. energy: -2.605 local terms energy: -468.055338 where: bonds (distance) C4'-P energy: -117.904 bonds (distance) P-C4' energy: -149.904 flat angles C4'-P-C4' energy: -123.557 flat angles P-C4'-P energy: -83.085 tors. eta vs tors. theta energy: 6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -909.277157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.277157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.277157 (E_RNA) where: Base-Base interactions energy: -425.498 where: short stacking energy: -248.355 Base-Backbone interact. energy: -1.391 local terms energy: -482.388455 where: bonds (distance) C4'-P energy: -130.175 bonds (distance) P-C4' energy: -154.353 flat angles C4'-P-C4' energy: -118.180 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: 7.855 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: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3090.200138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.200138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.200138 (E_RNA) where: Base-Base interactions energy: -2127.178 where: short stacking energy: -978.489 Base-Backbone interact. energy: -3.155 local terms energy: -959.866765 where: bonds (distance) C4'-P energy: -171.142 bonds (distance) P-C4' energy: -180.940 flat angles C4'-P-C4' energy: -212.981 flat angles P-C4'-P energy: -124.642 tors. eta vs tors. theta energy: -270.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2895.536050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.536050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.536050 (E_RNA) where: Base-Base interactions energy: -1951.331 where: short stacking energy: -887.550 Base-Backbone interact. energy: -1.943 local terms energy: -942.261884 where: bonds (distance) C4'-P energy: -175.933 bonds (distance) P-C4' energy: -185.839 flat angles C4'-P-C4' energy: -195.652 flat angles P-C4'-P energy: -122.966 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: 3, replica: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2845.884814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.884814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.884814 (E_RNA) where: Base-Base interactions energy: -1934.997 where: short stacking energy: -858.450 Base-Backbone interact. energy: -1.914 local terms energy: -908.974080 where: bonds (distance) C4'-P energy: -168.500 bonds (distance) P-C4' energy: -174.437 flat angles C4'-P-C4' energy: -197.289 flat angles P-C4'-P energy: -121.177 tors. eta vs tors. theta energy: -247.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2620.215643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.215643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.215643 (E_RNA) where: Base-Base interactions energy: -1771.815 where: short stacking energy: -761.513 Base-Backbone interact. energy: -3.178 local terms energy: -845.222276 where: bonds (distance) C4'-P energy: -151.334 bonds (distance) P-C4' energy: -177.202 flat angles C4'-P-C4' energy: -208.615 flat angles P-C4'-P energy: -117.612 tors. eta vs tors. theta energy: -190.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2520.035202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.035202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.035202 (E_RNA) where: Base-Base interactions energy: -1698.126 where: short stacking energy: -764.564 Base-Backbone interact. energy: 0.548 local terms energy: -822.457035 where: bonds (distance) C4'-P energy: -159.043 bonds (distance) P-C4' energy: -158.203 flat angles C4'-P-C4' energy: -176.526 flat angles P-C4'-P energy: -119.982 tors. eta vs tors. theta energy: -208.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2117.096387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.096387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.096387 (E_RNA) where: Base-Base interactions energy: -1398.178 where: short stacking energy: -649.221 Base-Backbone interact. energy: -2.569 local terms energy: -716.348882 where: bonds (distance) C4'-P energy: -151.141 bonds (distance) P-C4' energy: -161.901 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -149.048 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: 264 Temperature: 1.200000 Total energy: -1824.276610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.276610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.276610 (E_RNA) where: Base-Base interactions energy: -1152.091 where: short stacking energy: -534.640 Base-Backbone interact. energy: 4.500 local terms energy: -676.685013 where: bonds (distance) C4'-P energy: -150.031 bonds (distance) P-C4' energy: -148.037 flat angles C4'-P-C4' energy: -175.246 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -112.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1554.238526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.238526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.238526 (E_RNA) where: Base-Base interactions energy: -968.276 where: short stacking energy: -427.333 Base-Backbone interact. energy: -2.449 local terms energy: -583.513156 where: bonds (distance) C4'-P energy: -120.348 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -58.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1059.832556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.832556 (E_RNA) where: Base-Base interactions energy: -554.455 where: short stacking energy: -289.269 Base-Backbone interact. energy: 3.080 local terms energy: -508.458005 where: bonds (distance) C4'-P energy: -145.991 bonds (distance) P-C4' energy: -158.726 flat angles C4'-P-C4' energy: -127.093 flat angles P-C4'-P energy: -84.582 tors. eta vs tors. theta energy: 7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -922.171056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.171056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.171056 (E_RNA) where: Base-Base interactions energy: -460.104 where: short stacking energy: -256.680 Base-Backbone interact. energy: 6.687 local terms energy: -468.753564 where: bonds (distance) C4'-P energy: -151.502 bonds (distance) P-C4' energy: -155.746 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -56.500 tors. eta vs tors. theta energy: 10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3038.900255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.900255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.900255 (E_RNA) where: Base-Base interactions energy: -2043.883 where: short stacking energy: -920.572 Base-Backbone interact. energy: -4.141 local terms energy: -990.876188 where: bonds (distance) C4'-P energy: -188.276 bonds (distance) P-C4' energy: -183.109 flat angles C4'-P-C4' energy: -198.026 flat angles P-C4'-P energy: -149.576 tors. eta vs tors. theta energy: -271.889 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: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2960.916781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.916781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.916781 (E_RNA) where: Base-Base interactions energy: -2046.709 where: short stacking energy: -929.236 Base-Backbone interact. energy: 1.262 local terms energy: -915.469802 where: bonds (distance) C4'-P energy: -168.907 bonds (distance) P-C4' energy: -167.920 flat angles C4'-P-C4' energy: -191.592 flat angles P-C4'-P energy: -135.523 tors. eta vs tors. theta energy: -251.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2844.744173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.744173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.744173 (E_RNA) where: Base-Base interactions energy: -1942.532 where: short stacking energy: -870.097 Base-Backbone interact. energy: -2.488 local terms energy: -899.724292 where: bonds (distance) C4'-P energy: -165.981 bonds (distance) P-C4' energy: -178.770 flat angles C4'-P-C4' energy: -201.117 flat angles P-C4'-P energy: -109.018 tors. eta vs tors. theta energy: -244.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2653.680277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.680277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.680277 (E_RNA) where: Base-Base interactions energy: -1809.677 where: short stacking energy: -789.558 Base-Backbone interact. energy: -4.950 local terms energy: -839.053015 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -179.689 flat angles C4'-P-C4' energy: -187.094 flat angles P-C4'-P energy: -115.152 tors. eta vs tors. theta energy: -212.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2515.070786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.070786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.070786 (E_RNA) where: Base-Base interactions energy: -1681.112 where: short stacking energy: -745.681 Base-Backbone interact. energy: 3.592 local terms energy: -837.550993 where: bonds (distance) C4'-P energy: -155.639 bonds (distance) P-C4' energy: -180.100 flat angles C4'-P-C4' energy: -176.881 flat angles P-C4'-P energy: -125.424 tors. eta vs tors. theta energy: -199.506 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: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2116.167427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.167427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.167427 (E_RNA) where: Base-Base interactions energy: -1405.957 where: short stacking energy: -616.365 Base-Backbone interact. energy: 5.354 local terms energy: -715.564756 where: bonds (distance) C4'-P energy: -143.150 bonds (distance) P-C4' energy: -158.499 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -140.283 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: 265 Temperature: 1.200000 Total energy: -1890.020020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.020020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.020020 (E_RNA) where: Base-Base interactions energy: -1167.257 where: short stacking energy: -537.611 Base-Backbone interact. energy: -0.817 local terms energy: -721.945669 where: bonds (distance) C4'-P energy: -149.759 bonds (distance) P-C4' energy: -170.702 flat angles C4'-P-C4' energy: -179.859 flat angles P-C4'-P energy: -108.541 tors. eta vs tors. theta energy: -113.085 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: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1549.881928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.881928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.881928 (E_RNA) where: Base-Base interactions energy: -950.076 where: short stacking energy: -444.376 Base-Backbone interact. energy: -0.469 local terms energy: -599.336674 where: bonds (distance) C4'-P energy: -163.418 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -140.831 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -76.995 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: 265 Temperature: 1.300000 Total energy: -1035.939104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.939104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.939104 (E_RNA) where: Base-Base interactions energy: -554.242 where: short stacking energy: -308.507 Base-Backbone interact. energy: 0.748 local terms energy: -482.444948 where: bonds (distance) C4'-P energy: -146.136 bonds (distance) P-C4' energy: -150.174 flat angles C4'-P-C4' energy: -121.442 flat angles P-C4'-P energy: -82.878 tors. eta vs tors. theta energy: 18.184 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: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -851.869583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.869583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.869583 (E_RNA) where: Base-Base interactions energy: -397.138 where: short stacking energy: -234.236 Base-Backbone interact. energy: 1.366 local terms energy: -456.098163 where: bonds (distance) C4'-P energy: -140.299 bonds (distance) P-C4' energy: -159.388 flat angles C4'-P-C4' energy: -119.657 flat angles P-C4'-P energy: -63.784 tors. eta vs tors. theta energy: 27.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3070.481567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.481567 (E_RNA) where: Base-Base interactions energy: -2131.599 where: short stacking energy: -948.164 Base-Backbone interact. energy: -0.662 local terms energy: -938.220352 where: bonds (distance) C4'-P energy: -182.284 bonds (distance) P-C4' energy: -184.789 flat angles C4'-P-C4' energy: -193.293 flat angles P-C4'-P energy: -116.857 tors. eta vs tors. theta energy: -260.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2950.138451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.138451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.138451 (E_RNA) where: Base-Base interactions energy: -2034.121 where: short stacking energy: -908.774 Base-Backbone interact. energy: -2.321 local terms energy: -913.696629 where: bonds (distance) C4'-P energy: -188.120 bonds (distance) P-C4' energy: -167.910 flat angles C4'-P-C4' energy: -197.010 flat angles P-C4'-P energy: -123.236 tors. eta vs tors. theta energy: -237.422 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: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2840.331696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.331696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.331696 (E_RNA) where: Base-Base interactions energy: -1936.183 where: short stacking energy: -889.779 Base-Backbone interact. energy: -3.940 local terms energy: -900.209211 where: bonds (distance) C4'-P energy: -157.499 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -192.068 flat angles P-C4'-P energy: -137.383 tors. eta vs tors. theta energy: -249.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2683.019932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.019932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.019932 (E_RNA) where: Base-Base interactions energy: -1826.866 where: short stacking energy: -832.922 Base-Backbone interact. energy: 0.674 local terms energy: -856.827861 where: bonds (distance) C4'-P energy: -167.466 bonds (distance) P-C4' energy: -165.798 flat angles C4'-P-C4' energy: -194.037 flat angles P-C4'-P energy: -104.988 tors. eta vs tors. theta energy: -224.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2530.536531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.536531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.536531 (E_RNA) where: Base-Base interactions energy: -1725.232 where: short stacking energy: -775.659 Base-Backbone interact. energy: 3.656 local terms energy: -808.960691 where: bonds (distance) C4'-P energy: -159.473 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -169.367 flat angles P-C4'-P energy: -115.400 tors. eta vs tors. theta energy: -211.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2143.912890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.912890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.912890 (E_RNA) where: Base-Base interactions energy: -1425.112 where: short stacking energy: -632.740 Base-Backbone interact. energy: -1.180 local terms energy: -717.620130 where: bonds (distance) C4'-P energy: -163.171 bonds (distance) P-C4' energy: -166.093 flat angles C4'-P-C4' energy: -159.049 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -144.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1950.042683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.042683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.042683 (E_RNA) where: Base-Base interactions energy: -1218.327 where: short stacking energy: -551.059 Base-Backbone interact. energy: -1.635 local terms energy: -730.080766 where: bonds (distance) C4'-P energy: -156.564 bonds (distance) P-C4' energy: -166.683 flat angles C4'-P-C4' energy: -175.421 flat angles P-C4'-P energy: -109.994 tors. eta vs tors. theta energy: -121.418 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: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1537.176013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.176013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.176013 (E_RNA) where: Base-Base interactions energy: -945.761 where: short stacking energy: -445.082 Base-Backbone interact. energy: 5.689 local terms energy: -597.104799 where: bonds (distance) C4'-P energy: -134.966 bonds (distance) P-C4' energy: -159.111 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -94.309 tors. eta vs tors. theta energy: -67.302 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: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1021.562313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.562313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.562313 (E_RNA) where: Base-Base interactions energy: -527.756 where: short stacking energy: -314.004 Base-Backbone interact. energy: -1.756 local terms energy: -492.050201 where: bonds (distance) C4'-P energy: -127.254 bonds (distance) P-C4' energy: -161.942 flat angles C4'-P-C4' energy: -114.815 flat angles P-C4'-P energy: -73.970 tors. eta vs tors. theta energy: -14.069 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: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -832.894333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.894333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.894333 (E_RNA) where: Base-Base interactions energy: -369.012 where: short stacking energy: -231.026 Base-Backbone interact. energy: -0.464 local terms energy: -463.418117 where: bonds (distance) C4'-P energy: -147.993 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -132.265 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: 48.222 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: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3075.210558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.210558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.210558 (E_RNA) where: Base-Base interactions energy: -2116.818 where: short stacking energy: -912.454 Base-Backbone interact. energy: -1.453 local terms energy: -956.938795 where: bonds (distance) C4'-P energy: -176.815 bonds (distance) P-C4' energy: -180.389 flat angles C4'-P-C4' energy: -204.427 flat angles P-C4'-P energy: -132.157 tors. eta vs tors. theta energy: -263.151 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: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2986.063838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.063838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.063838 (E_RNA) where: Base-Base interactions energy: -2051.232 where: short stacking energy: -934.933 Base-Backbone interact. energy: -1.801 local terms energy: -933.030400 where: bonds (distance) C4'-P energy: -158.025 bonds (distance) P-C4' energy: -183.067 flat angles C4'-P-C4' energy: -190.746 flat angles P-C4'-P energy: -139.528 tors. eta vs tors. theta energy: -261.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2819.496497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.496497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.496497 (E_RNA) where: Base-Base interactions energy: -1897.815 where: short stacking energy: -880.146 Base-Backbone interact. energy: -0.469 local terms energy: -921.212793 where: bonds (distance) C4'-P energy: -177.461 bonds (distance) P-C4' energy: -178.053 flat angles C4'-P-C4' energy: -187.891 flat angles P-C4'-P energy: -107.672 tors. eta vs tors. theta energy: -270.136 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2671.015717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.015717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.015717 (E_RNA) where: Base-Base interactions energy: -1851.252 where: short stacking energy: -806.522 Base-Backbone interact. energy: -4.312 local terms energy: -815.452108 where: bonds (distance) C4'-P energy: -174.524 bonds (distance) P-C4' energy: -146.938 flat angles C4'-P-C4' energy: -186.902 flat angles P-C4'-P energy: -104.989 tors. eta vs tors. theta energy: -202.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2481.375859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.375859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.375859 (E_RNA) where: Base-Base interactions energy: -1672.866 where: short stacking energy: -757.509 Base-Backbone interact. energy: -0.418 local terms energy: -808.091583 where: bonds (distance) C4'-P energy: -145.169 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -185.905 flat angles P-C4'-P energy: -121.888 tors. eta vs tors. theta energy: -201.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2129.900532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.900532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.900532 (E_RNA) where: Base-Base interactions energy: -1422.202 where: short stacking energy: -613.139 Base-Backbone interact. energy: -1.992 local terms energy: -705.705909 where: bonds (distance) C4'-P energy: -147.260 bonds (distance) P-C4' energy: -144.859 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -114.710 tors. eta vs tors. theta energy: -133.764 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: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1957.037698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.037698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.037698 (E_RNA) where: Base-Base interactions energy: -1293.367 where: short stacking energy: -576.512 Base-Backbone interact. energy: 1.795 local terms energy: -665.466294 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -156.197 flat angles C4'-P-C4' energy: -142.059 flat angles P-C4'-P energy: -99.085 tors. eta vs tors. theta energy: -119.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1560.882990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.882990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.882990 (E_RNA) where: Base-Base interactions energy: -975.920 where: short stacking energy: -448.761 Base-Backbone interact. energy: -1.291 local terms energy: -583.672301 where: bonds (distance) C4'-P energy: -148.293 bonds (distance) P-C4' energy: -159.314 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -73.484 tors. eta vs tors. theta energy: -67.459 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: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1077.155487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.155487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.155487 (E_RNA) where: Base-Base interactions energy: -546.322 where: short stacking energy: -300.196 Base-Backbone interact. energy: 1.319 local terms energy: -532.152057 where: bonds (distance) C4'-P energy: -129.485 bonds (distance) P-C4' energy: -154.703 flat angles C4'-P-C4' energy: -145.976 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -25.152 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: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -865.416224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.416224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.416224 (E_RNA) where: Base-Base interactions energy: -405.188 where: short stacking energy: -221.459 Base-Backbone interact. energy: 3.616 local terms energy: -463.844157 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -154.892 flat angles C4'-P-C4' energy: -131.000 flat angles P-C4'-P energy: -74.093 tors. eta vs tors. theta energy: 33.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3064.351300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.351300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.351300 (E_RNA) where: Base-Base interactions energy: -2111.782 where: short stacking energy: -942.190 Base-Backbone interact. energy: -5.601 local terms energy: -946.968631 where: bonds (distance) C4'-P energy: -167.772 bonds (distance) P-C4' energy: -183.595 flat angles C4'-P-C4' energy: -199.502 flat angles P-C4'-P energy: -133.123 tors. eta vs tors. theta energy: -262.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2960.318681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.318681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.318681 (E_RNA) where: Base-Base interactions energy: -2015.785 where: short stacking energy: -932.740 Base-Backbone interact. energy: -0.354 local terms energy: -944.180444 where: bonds (distance) C4'-P energy: -173.342 bonds (distance) P-C4' energy: -167.188 flat angles C4'-P-C4' energy: -201.578 flat angles P-C4'-P energy: -140.087 tors. eta vs tors. theta energy: -261.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2804.091039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.091039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.091039 (E_RNA) where: Base-Base interactions energy: -1890.175 where: short stacking energy: -872.481 Base-Backbone interact. energy: -2.757 local terms energy: -911.159164 where: bonds (distance) C4'-P energy: -182.151 bonds (distance) P-C4' energy: -161.674 flat angles C4'-P-C4' energy: -196.710 flat angles P-C4'-P energy: -123.707 tors. eta vs tors. theta energy: -246.917 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: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2710.272643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.272643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.272643 (E_RNA) where: Base-Base interactions energy: -1875.219 where: short stacking energy: -825.267 Base-Backbone interact. energy: -6.008 local terms energy: -829.045524 where: bonds (distance) C4'-P energy: -165.347 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -182.492 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -213.302 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: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2455.528920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.528920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.528920 (E_RNA) where: Base-Base interactions energy: -1668.366 where: short stacking energy: -750.117 Base-Backbone interact. energy: -4.298 local terms energy: -782.864456 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -144.564 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -129.087 tors. eta vs tors. theta energy: -204.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2154.507041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.507041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.507041 (E_RNA) where: Base-Base interactions energy: -1417.550 where: short stacking energy: -634.002 Base-Backbone interact. energy: 2.211 local terms energy: -739.168027 where: bonds (distance) C4'-P energy: -155.663 bonds (distance) P-C4' energy: -148.650 flat angles C4'-P-C4' energy: -169.029 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -161.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1931.735598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.735598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.735598 (E_RNA) where: Base-Base interactions energy: -1254.741 where: short stacking energy: -587.240 Base-Backbone interact. energy: 2.168 local terms energy: -679.162093 where: bonds (distance) C4'-P energy: -138.067 bonds (distance) P-C4' energy: -158.088 flat angles C4'-P-C4' energy: -159.467 flat angles P-C4'-P energy: -88.489 tors. eta vs tors. theta energy: -135.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1551.230053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.230053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.230053 (E_RNA) where: Base-Base interactions energy: -913.302 where: short stacking energy: -436.427 Base-Backbone interact. energy: 0.723 local terms energy: -638.651469 where: bonds (distance) C4'-P energy: -142.625 bonds (distance) P-C4' energy: -165.575 flat angles C4'-P-C4' energy: -153.705 flat angles P-C4'-P energy: -108.244 tors. eta vs tors. theta energy: -68.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1059.420918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.420918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.420918 (E_RNA) where: Base-Base interactions energy: -549.338 where: short stacking energy: -284.781 Base-Backbone interact. energy: 3.292 local terms energy: -513.375070 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -173.467 flat angles C4'-P-C4' energy: -132.533 flat angles P-C4'-P energy: -62.588 tors. eta vs tors. theta energy: -12.524 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: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -819.741962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.741962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.741962 (E_RNA) where: Base-Base interactions energy: -368.244 where: short stacking energy: -252.351 Base-Backbone interact. energy: 7.387 local terms energy: -458.885042 where: bonds (distance) C4'-P energy: -129.668 bonds (distance) P-C4' energy: -132.374 flat angles C4'-P-C4' energy: -136.694 flat angles P-C4'-P energy: -75.205 tors. eta vs tors. theta energy: 15.056 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: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3057.003733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.003733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.003733 (E_RNA) where: Base-Base interactions energy: -2085.663 where: short stacking energy: -924.532 Base-Backbone interact. energy: -2.762 local terms energy: -968.578794 where: bonds (distance) C4'-P energy: -188.500 bonds (distance) P-C4' energy: -177.520 flat angles C4'-P-C4' energy: -207.645 flat angles P-C4'-P energy: -128.048 tors. eta vs tors. theta energy: -266.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2917.520599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.520599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.520599 (E_RNA) where: Base-Base interactions energy: -1965.327 where: short stacking energy: -897.961 Base-Backbone interact. energy: 3.451 local terms energy: -955.643676 where: bonds (distance) C4'-P energy: -177.459 bonds (distance) P-C4' energy: -165.548 flat angles C4'-P-C4' energy: -213.265 flat angles P-C4'-P energy: -142.935 tors. eta vs tors. theta energy: -256.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2806.326722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.326722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.326722 (E_RNA) where: Base-Base interactions energy: -1888.659 where: short stacking energy: -854.510 Base-Backbone interact. energy: -3.422 local terms energy: -914.245363 where: bonds (distance) C4'-P energy: -184.391 bonds (distance) P-C4' energy: -172.936 flat angles C4'-P-C4' energy: -187.967 flat angles P-C4'-P energy: -118.472 tors. eta vs tors. theta energy: -250.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2664.634732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.634732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.634732 (E_RNA) where: Base-Base interactions energy: -1801.070 where: short stacking energy: -781.498 Base-Backbone interact. energy: -5.410 local terms energy: -858.155468 where: bonds (distance) C4'-P energy: -153.379 bonds (distance) P-C4' energy: -175.971 flat angles C4'-P-C4' energy: -196.744 flat angles P-C4'-P energy: -127.887 tors. eta vs tors. theta energy: -204.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2456.475639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.475639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.475639 (E_RNA) where: Base-Base interactions energy: -1661.649 where: short stacking energy: -734.098 Base-Backbone interact. energy: -3.293 local terms energy: -791.533516 where: bonds (distance) C4'-P energy: -151.017 bonds (distance) P-C4' energy: -143.399 flat angles C4'-P-C4' energy: -186.861 flat angles P-C4'-P energy: -116.669 tors. eta vs tors. theta energy: -193.587 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: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2177.420105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.420105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.420105 (E_RNA) where: Base-Base interactions energy: -1426.429 where: short stacking energy: -625.289 Base-Backbone interact. energy: 0.644 local terms energy: -751.635027 where: bonds (distance) C4'-P energy: -184.647 bonds (distance) P-C4' energy: -146.809 flat angles C4'-P-C4' energy: -166.817 flat angles P-C4'-P energy: -111.988 tors. eta vs tors. theta energy: -141.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1880.348745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.348745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.348745 (E_RNA) where: Base-Base interactions energy: -1197.459 where: short stacking energy: -559.202 Base-Backbone interact. energy: 0.445 local terms energy: -683.334758 where: bonds (distance) C4'-P energy: -151.880 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -172.780 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -120.039 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: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1512.722041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.722041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.722041 (E_RNA) where: Base-Base interactions energy: -891.613 where: short stacking energy: -414.717 Base-Backbone interact. energy: -0.085 local terms energy: -621.023995 where: bonds (distance) C4'-P energy: -161.020 bonds (distance) P-C4' energy: -142.704 flat angles C4'-P-C4' energy: -148.807 flat angles P-C4'-P energy: -85.455 tors. eta vs tors. theta energy: -83.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1026.102799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.102799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.102799 (E_RNA) where: Base-Base interactions energy: -497.725 where: short stacking energy: -278.477 Base-Backbone interact. energy: 4.094 local terms energy: -532.471500 where: bonds (distance) C4'-P energy: -130.046 bonds (distance) P-C4' energy: -158.763 flat angles C4'-P-C4' energy: -143.146 flat angles P-C4'-P energy: -94.640 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -847.510332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.510332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.510332 (E_RNA) where: Base-Base interactions energy: -377.682 where: short stacking energy: -245.129 Base-Backbone interact. energy: 1.605 local terms energy: -471.433121 where: bonds (distance) C4'-P energy: -113.100 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -128.874 flat angles P-C4'-P energy: -91.632 tors. eta vs tors. theta energy: -2.522 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: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3073.686674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.686674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.686674 (E_RNA) where: Base-Base interactions energy: -2126.762 where: short stacking energy: -930.803 Base-Backbone interact. energy: -0.522 local terms energy: -946.402909 where: bonds (distance) C4'-P energy: -187.318 bonds (distance) P-C4' energy: -186.733 flat angles C4'-P-C4' energy: -201.035 flat angles P-C4'-P energy: -119.870 tors. eta vs tors. theta energy: -251.447 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2919.854319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.854319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.854319 (E_RNA) where: Base-Base interactions energy: -1986.641 where: short stacking energy: -900.760 Base-Backbone interact. energy: -5.272 local terms energy: -927.941300 where: bonds (distance) C4'-P energy: -159.677 bonds (distance) P-C4' energy: -198.639 flat angles C4'-P-C4' energy: -197.622 flat angles P-C4'-P energy: -122.140 tors. eta vs tors. theta energy: -249.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2817.557878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.557878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.557878 (E_RNA) where: Base-Base interactions energy: -1907.718 where: short stacking energy: -857.576 Base-Backbone interact. energy: -1.104 local terms energy: -908.736059 where: bonds (distance) C4'-P energy: -161.056 bonds (distance) P-C4' energy: -187.969 flat angles C4'-P-C4' energy: -182.706 flat angles P-C4'-P energy: -132.739 tors. eta vs tors. theta energy: -244.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2637.889171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.889171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.889171 (E_RNA) where: Base-Base interactions energy: -1790.801 where: short stacking energy: -809.726 Base-Backbone interact. energy: -1.010 local terms energy: -846.078030 where: bonds (distance) C4'-P energy: -163.146 bonds (distance) P-C4' energy: -158.220 flat angles C4'-P-C4' energy: -200.406 flat angles P-C4'-P energy: -114.936 tors. eta vs tors. theta energy: -209.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2481.787437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.787437 (E_RNA) where: Base-Base interactions energy: -1652.494 where: short stacking energy: -768.479 Base-Backbone interact. energy: -5.043 local terms energy: -824.251016 where: bonds (distance) C4'-P energy: -152.399 bonds (distance) P-C4' energy: -168.303 flat angles C4'-P-C4' energy: -188.819 flat angles P-C4'-P energy: -101.812 tors. eta vs tors. theta energy: -212.918 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: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2208.293041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.293041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.293041 (E_RNA) where: Base-Base interactions energy: -1485.924 where: short stacking energy: -657.045 Base-Backbone interact. energy: 1.579 local terms energy: -723.948197 where: bonds (distance) C4'-P energy: -153.259 bonds (distance) P-C4' energy: -154.392 flat angles C4'-P-C4' energy: -170.636 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -147.922 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: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1837.513464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.513464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.513464 (E_RNA) where: Base-Base interactions energy: -1177.521 where: short stacking energy: -551.464 Base-Backbone interact. energy: -1.215 local terms energy: -658.777344 where: bonds (distance) C4'-P energy: -126.810 bonds (distance) P-C4' energy: -158.228 flat angles C4'-P-C4' energy: -157.416 flat angles P-C4'-P energy: -115.880 tors. eta vs tors. theta energy: -100.444 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: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1539.356007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.356007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.356007 (E_RNA) where: Base-Base interactions energy: -926.272 where: short stacking energy: -431.859 Base-Backbone interact. energy: 2.070 local terms energy: -615.153720 where: bonds (distance) C4'-P energy: -155.139 bonds (distance) P-C4' energy: -147.978 flat angles C4'-P-C4' energy: -154.639 flat angles P-C4'-P energy: -73.803 tors. eta vs tors. theta energy: -83.595 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1076.650143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.650143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.650143 (E_RNA) where: Base-Base interactions energy: -598.486 where: short stacking energy: -313.758 Base-Backbone interact. energy: 1.947 local terms energy: -480.110901 where: bonds (distance) C4'-P energy: -150.048 bonds (distance) P-C4' energy: -162.625 flat angles C4'-P-C4' energy: -94.497 flat angles P-C4'-P energy: -78.771 tors. eta vs tors. theta energy: 5.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -837.626106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.626106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.626106 (E_RNA) where: Base-Base interactions energy: -397.323 where: short stacking energy: -255.304 Base-Backbone interact. energy: -1.549 local terms energy: -438.753982 where: bonds (distance) C4'-P energy: -131.235 bonds (distance) P-C4' energy: -126.505 flat angles C4'-P-C4' energy: -117.773 flat angles P-C4'-P energy: -74.067 tors. eta vs tors. theta energy: 10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3094.472808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.472808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.472808 (E_RNA) where: Base-Base interactions energy: -2136.212 where: short stacking energy: -971.797 Base-Backbone interact. energy: -2.688 local terms energy: -955.572330 where: bonds (distance) C4'-P energy: -164.620 bonds (distance) P-C4' energy: -182.211 flat angles C4'-P-C4' energy: -202.841 flat angles P-C4'-P energy: -136.059 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: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2959.266204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.266204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.266204 (E_RNA) where: Base-Base interactions energy: -2015.669 where: short stacking energy: -920.848 Base-Backbone interact. energy: -2.387 local terms energy: -941.209639 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -191.076 flat angles C4'-P-C4' energy: -204.385 flat angles P-C4'-P energy: -131.210 tors. eta vs tors. theta energy: -260.530 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: 271 Temperature: 1.000000 Total energy: -2812.404784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.404784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.404784 (E_RNA) where: Base-Base interactions energy: -1921.458 where: short stacking energy: -885.987 Base-Backbone interact. energy: -2.817 local terms energy: -888.130367 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -179.416 flat angles C4'-P-C4' energy: -189.338 flat angles P-C4'-P energy: -122.930 tors. eta vs tors. theta energy: -255.870 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2620.632159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.632159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.632159 (E_RNA) where: Base-Base interactions energy: -1772.466 where: short stacking energy: -776.737 Base-Backbone interact. energy: -2.393 local terms energy: -845.773049 where: bonds (distance) C4'-P energy: -149.108 bonds (distance) P-C4' energy: -160.041 flat angles C4'-P-C4' energy: -209.781 flat angles P-C4'-P energy: -118.157 tors. eta vs tors. theta energy: -208.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2457.988540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.988540 (E_RNA) where: Base-Base interactions energy: -1665.059 where: short stacking energy: -763.995 Base-Backbone interact. energy: -2.683 local terms energy: -790.246667 where: bonds (distance) C4'-P energy: -147.001 bonds (distance) P-C4' energy: -156.584 flat angles C4'-P-C4' energy: -162.868 flat angles P-C4'-P energy: -108.820 tors. eta vs tors. theta energy: -214.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2211.013978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.013978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.013978 (E_RNA) where: Base-Base interactions energy: -1472.472 where: short stacking energy: -643.949 Base-Backbone interact. energy: -1.339 local terms energy: -737.203207 where: bonds (distance) C4'-P energy: -160.323 bonds (distance) P-C4' energy: -143.335 flat angles C4'-P-C4' energy: -172.342 flat angles P-C4'-P energy: -120.742 tors. eta vs tors. theta energy: -140.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1856.766682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.766682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.766682 (E_RNA) where: Base-Base interactions energy: -1211.078 where: short stacking energy: -573.244 Base-Backbone interact. energy: 3.867 local terms energy: -649.556276 where: bonds (distance) C4'-P energy: -141.537 bonds (distance) P-C4' energy: -132.031 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -114.980 tors. eta vs tors. theta energy: -120.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1484.207537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.207537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.207537 (E_RNA) where: Base-Base interactions energy: -910.297 where: short stacking energy: -442.696 Base-Backbone interact. energy: 0.637 local terms energy: -574.546889 where: bonds (distance) C4'-P energy: -130.017 bonds (distance) P-C4' energy: -150.888 flat angles C4'-P-C4' energy: -161.170 flat angles P-C4'-P energy: -69.247 tors. eta vs tors. theta energy: -63.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1138.811021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.811021 (E_RNA) where: Base-Base interactions energy: -627.569 where: short stacking energy: -350.093 Base-Backbone interact. energy: 4.266 local terms energy: -515.507543 where: bonds (distance) C4'-P energy: -127.185 bonds (distance) P-C4' energy: -132.840 flat angles C4'-P-C4' energy: -135.363 flat angles P-C4'-P energy: -84.238 tors. eta vs tors. theta energy: -35.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -895.862005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.862005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.862005 (E_RNA) where: Base-Base interactions energy: -417.312 where: short stacking energy: -222.460 Base-Backbone interact. energy: 2.285 local terms energy: -480.835018 where: bonds (distance) C4'-P energy: -142.207 bonds (distance) P-C4' energy: -133.636 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: 25.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3116.345174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.345174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.345174 (E_RNA) where: Base-Base interactions energy: -2163.483 where: short stacking energy: -972.781 Base-Backbone interact. energy: -1.009 local terms energy: -951.853119 where: bonds (distance) C4'-P energy: -166.609 bonds (distance) P-C4' energy: -169.979 flat angles C4'-P-C4' energy: -209.611 flat angles P-C4'-P energy: -129.672 tors. eta vs tors. theta energy: -275.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2929.691620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.691620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.691620 (E_RNA) where: Base-Base interactions energy: -1991.114 where: short stacking energy: -882.870 Base-Backbone interact. energy: -2.917 local terms energy: -935.660154 where: bonds (distance) C4'-P energy: -173.370 bonds (distance) P-C4' energy: -174.262 flat angles C4'-P-C4' energy: -210.819 flat angles P-C4'-P energy: -130.304 tors. eta vs tors. theta energy: -246.906 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: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2822.015723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.015723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.015723 (E_RNA) where: Base-Base interactions energy: -1896.962 where: short stacking energy: -858.300 Base-Backbone interact. energy: -4.602 local terms energy: -920.450955 where: bonds (distance) C4'-P energy: -169.359 bonds (distance) P-C4' energy: -171.833 flat angles C4'-P-C4' energy: -196.918 flat angles P-C4'-P energy: -123.929 tors. eta vs tors. theta energy: -258.412 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: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2651.260375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.260375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.260375 (E_RNA) where: Base-Base interactions energy: -1781.727 where: short stacking energy: -775.491 Base-Backbone interact. energy: -4.035 local terms energy: -865.497511 where: bonds (distance) C4'-P energy: -171.551 bonds (distance) P-C4' energy: -164.203 flat angles C4'-P-C4' energy: -189.571 flat angles P-C4'-P energy: -131.592 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: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2467.552890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.552890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.552890 (E_RNA) where: Base-Base interactions energy: -1626.511 where: short stacking energy: -749.597 Base-Backbone interact. energy: -0.566 local terms energy: -840.475965 where: bonds (distance) C4'-P energy: -167.376 bonds (distance) P-C4' energy: -169.484 flat angles C4'-P-C4' energy: -180.038 flat angles P-C4'-P energy: -126.354 tors. eta vs tors. theta energy: -197.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2249.518537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.518537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.518537 (E_RNA) where: Base-Base interactions energy: -1480.876 where: short stacking energy: -632.399 Base-Backbone interact. energy: -3.431 local terms energy: -765.212068 where: bonds (distance) C4'-P energy: -144.395 bonds (distance) P-C4' energy: -161.556 flat angles C4'-P-C4' energy: -183.286 flat angles P-C4'-P energy: -130.876 tors. eta vs tors. theta energy: -145.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1865.813960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.813960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.813960 (E_RNA) where: Base-Base interactions energy: -1181.443 where: short stacking energy: -542.709 Base-Backbone interact. energy: 1.685 local terms energy: -686.055937 where: bonds (distance) C4'-P energy: -156.326 bonds (distance) P-C4' energy: -164.080 flat angles C4'-P-C4' energy: -167.725 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -110.135 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: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1476.210983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.210983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.210983 (E_RNA) where: Base-Base interactions energy: -877.221 where: short stacking energy: -424.764 Base-Backbone interact. energy: 2.266 local terms energy: -601.256307 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -174.389 flat angles C4'-P-C4' energy: -146.470 flat angles P-C4'-P energy: -96.654 tors. eta vs tors. theta energy: -48.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1155.825910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.825910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.825910 (E_RNA) where: Base-Base interactions energy: -667.939 where: short stacking energy: -351.931 Base-Backbone interact. energy: 1.555 local terms energy: -489.441297 where: bonds (distance) C4'-P energy: -143.873 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -102.544 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -32.819 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: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -805.049456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.049456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.049456 (E_RNA) where: Base-Base interactions energy: -328.813 where: short stacking energy: -210.792 Base-Backbone interact. energy: 0.409 local terms energy: -476.645410 where: bonds (distance) C4'-P energy: -136.112 bonds (distance) P-C4' energy: -153.168 flat angles C4'-P-C4' energy: -127.590 flat angles P-C4'-P energy: -73.963 tors. eta vs tors. theta energy: 14.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3114.751596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.751596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.751596 (E_RNA) where: Base-Base interactions energy: -2096.025 where: short stacking energy: -944.132 Base-Backbone interact. energy: -3.166 local terms energy: -1015.560683 where: bonds (distance) C4'-P energy: -185.570 bonds (distance) P-C4' energy: -202.336 flat angles C4'-P-C4' energy: -208.975 flat angles P-C4'-P energy: -146.141 tors. eta vs tors. theta energy: -272.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2942.855606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.855606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.855606 (E_RNA) where: Base-Base interactions energy: -2008.208 where: short stacking energy: -899.114 Base-Backbone interact. energy: 3.220 local terms energy: -937.867327 where: bonds (distance) C4'-P energy: -166.974 bonds (distance) P-C4' energy: -185.796 flat angles C4'-P-C4' energy: -184.241 flat angles P-C4'-P energy: -138.770 tors. eta vs tors. theta energy: -262.086 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: 273 Temperature: 1.000000 Total energy: -2823.455368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.455368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.455368 (E_RNA) where: Base-Base interactions energy: -1901.273 where: short stacking energy: -879.193 Base-Backbone interact. energy: -4.329 local terms energy: -917.853428 where: bonds (distance) C4'-P energy: -159.544 bonds (distance) P-C4' energy: -170.187 flat angles C4'-P-C4' energy: -201.865 flat angles P-C4'-P energy: -136.637 tors. eta vs tors. theta energy: -249.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2638.439833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.439833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.439833 (E_RNA) where: Base-Base interactions energy: -1786.110 where: short stacking energy: -798.263 Base-Backbone interact. energy: 0.538 local terms energy: -852.867595 where: bonds (distance) C4'-P energy: -173.299 bonds (distance) P-C4' energy: -169.186 flat angles C4'-P-C4' energy: -187.374 flat angles P-C4'-P energy: -106.629 tors. eta vs tors. theta energy: -216.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2536.245028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.245028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.245028 (E_RNA) where: Base-Base interactions energy: -1691.706 where: short stacking energy: -782.601 Base-Backbone interact. energy: -1.668 local terms energy: -842.871498 where: bonds (distance) C4'-P energy: -162.951 bonds (distance) P-C4' energy: -163.779 flat angles C4'-P-C4' energy: -175.832 flat angles P-C4'-P energy: -111.132 tors. eta vs tors. theta energy: -229.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2235.583555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.583555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.583555 (E_RNA) where: Base-Base interactions energy: -1504.322 where: short stacking energy: -659.934 Base-Backbone interact. energy: -1.969 local terms energy: -729.292548 where: bonds (distance) C4'-P energy: -128.270 bonds (distance) P-C4' energy: -174.602 flat angles C4'-P-C4' energy: -171.028 flat angles P-C4'-P energy: -101.843 tors. eta vs tors. theta energy: -153.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1836.722155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.722155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.722155 (E_RNA) where: Base-Base interactions energy: -1162.328 where: short stacking energy: -509.354 Base-Backbone interact. energy: -3.683 local terms energy: -670.710320 where: bonds (distance) C4'-P energy: -168.203 bonds (distance) P-C4' energy: -158.197 flat angles C4'-P-C4' energy: -154.882 flat angles P-C4'-P energy: -89.899 tors. eta vs tors. theta energy: -99.528 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: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1514.944319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.944319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.944319 (E_RNA) where: Base-Base interactions energy: -947.583 where: short stacking energy: -443.049 Base-Backbone interact. energy: 2.082 local terms energy: -569.443460 where: bonds (distance) C4'-P energy: -141.245 bonds (distance) P-C4' energy: -142.317 flat angles C4'-P-C4' energy: -139.980 flat angles P-C4'-P energy: -87.120 tors. eta vs tors. theta energy: -58.781 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: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1183.137520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.137520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.137520 (E_RNA) where: Base-Base interactions energy: -644.496 where: short stacking energy: -338.315 Base-Backbone interact. energy: 19.228 local terms energy: -557.869491 where: bonds (distance) C4'-P energy: -138.396 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -142.880 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -22.497 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: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -763.908647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.908647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.908647 (E_RNA) where: Base-Base interactions energy: -329.991 where: short stacking energy: -229.148 Base-Backbone interact. energy: 3.168 local terms energy: -437.085289 where: bonds (distance) C4'-P energy: -131.433 bonds (distance) P-C4' energy: -145.166 flat angles C4'-P-C4' energy: -110.251 flat angles P-C4'-P energy: -72.013 tors. eta vs tors. theta energy: 21.778 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: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3125.977515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.977515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.977515 (E_RNA) where: Base-Base interactions energy: -2129.003 where: short stacking energy: -948.606 Base-Backbone interact. energy: -2.507 local terms energy: -994.467230 where: bonds (distance) C4'-P energy: -191.053 bonds (distance) P-C4' energy: -181.312 flat angles C4'-P-C4' energy: -210.536 flat angles P-C4'-P energy: -134.403 tors. eta vs tors. theta energy: -277.164 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: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2911.398357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.398357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.398357 (E_RNA) where: Base-Base interactions energy: -2001.460 where: short stacking energy: -894.435 Base-Backbone interact. energy: -0.592 local terms energy: -909.346771 where: bonds (distance) C4'-P energy: -167.520 bonds (distance) P-C4' energy: -168.799 flat angles C4'-P-C4' energy: -200.845 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -251.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2811.325330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.325330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.325330 (E_RNA) where: Base-Base interactions energy: -1895.039 where: short stacking energy: -870.908 Base-Backbone interact. energy: -1.905 local terms energy: -914.381499 where: bonds (distance) C4'-P energy: -177.490 bonds (distance) P-C4' energy: -169.364 flat angles C4'-P-C4' energy: -192.662 flat angles P-C4'-P energy: -118.402 tors. eta vs tors. theta energy: -256.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2651.422078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.422078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.422078 (E_RNA) where: Base-Base interactions energy: -1785.389 where: short stacking energy: -795.018 Base-Backbone interact. energy: -3.655 local terms energy: -862.378004 where: bonds (distance) C4'-P energy: -176.024 bonds (distance) P-C4' energy: -158.555 flat angles C4'-P-C4' energy: -191.929 flat angles P-C4'-P energy: -120.400 tors. eta vs tors. theta energy: -215.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2504.042429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.042429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.042429 (E_RNA) where: Base-Base interactions energy: -1672.705 where: short stacking energy: -770.844 Base-Backbone interact. energy: 3.060 local terms energy: -834.397869 where: bonds (distance) C4'-P energy: -159.104 bonds (distance) P-C4' energy: -164.303 flat angles C4'-P-C4' energy: -186.645 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -212.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2217.246051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.246051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.246051 (E_RNA) where: Base-Base interactions energy: -1509.775 where: short stacking energy: -645.270 Base-Backbone interact. energy: 3.171 local terms energy: -710.642846 where: bonds (distance) C4'-P energy: -140.936 bonds (distance) P-C4' energy: -156.061 flat angles C4'-P-C4' energy: -162.581 flat angles P-C4'-P energy: -101.895 tors. eta vs tors. theta energy: -149.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1853.944649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.944649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.944649 (E_RNA) where: Base-Base interactions energy: -1192.039 where: short stacking energy: -527.677 Base-Backbone interact. energy: -0.118 local terms energy: -661.787285 where: bonds (distance) C4'-P energy: -164.870 bonds (distance) P-C4' energy: -152.507 flat angles C4'-P-C4' energy: -149.738 flat angles P-C4'-P energy: -87.045 tors. eta vs tors. theta energy: -107.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1477.682168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.682168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.682168 (E_RNA) where: Base-Base interactions energy: -857.705 where: short stacking energy: -432.956 Base-Backbone interact. energy: -0.776 local terms energy: -619.201708 where: bonds (distance) C4'-P energy: -146.745 bonds (distance) P-C4' energy: -165.451 flat angles C4'-P-C4' energy: -139.634 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -66.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1196.535139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.535139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.535139 (E_RNA) where: Base-Base interactions energy: -662.321 where: short stacking energy: -357.355 Base-Backbone interact. energy: 4.868 local terms energy: -539.082552 where: bonds (distance) C4'-P energy: -134.178 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -140.338 flat angles P-C4'-P energy: -98.121 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: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -812.412636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.412636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.412636 (E_RNA) where: Base-Base interactions energy: -385.158 where: short stacking energy: -269.908 Base-Backbone interact. energy: 0.593 local terms energy: -427.848073 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -124.333 flat angles C4'-P-C4' energy: -126.609 flat angles P-C4'-P energy: -63.438 tors. eta vs tors. theta energy: -5.362 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: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3098.458563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.458563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.458563 (E_RNA) where: Base-Base interactions energy: -2127.904 where: short stacking energy: -911.262 Base-Backbone interact. energy: -2.924 local terms energy: -967.630543 where: bonds (distance) C4'-P energy: -189.726 bonds (distance) P-C4' energy: -186.191 flat angles C4'-P-C4' energy: -195.030 flat angles P-C4'-P energy: -138.985 tors. eta vs tors. theta energy: -257.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2910.314462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.314462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.314462 (E_RNA) where: Base-Base interactions energy: -1985.243 where: short stacking energy: -883.238 Base-Backbone interact. energy: -0.315 local terms energy: -924.756725 where: bonds (distance) C4'-P energy: -174.636 bonds (distance) P-C4' energy: -163.056 flat angles C4'-P-C4' energy: -206.563 flat angles P-C4'-P energy: -130.254 tors. eta vs tors. theta energy: -250.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2856.066880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.066880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.066880 (E_RNA) where: Base-Base interactions energy: -1909.051 where: short stacking energy: -874.152 Base-Backbone interact. energy: -0.377 local terms energy: -946.639234 where: bonds (distance) C4'-P energy: -186.170 bonds (distance) P-C4' energy: -162.926 flat angles C4'-P-C4' energy: -209.473 flat angles P-C4'-P energy: -126.261 tors. eta vs tors. theta energy: -261.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2612.662128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.662128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.662128 (E_RNA) where: Base-Base interactions energy: -1765.133 where: short stacking energy: -795.723 Base-Backbone interact. energy: -0.404 local terms energy: -847.125543 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -173.996 flat angles C4'-P-C4' energy: -193.206 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -205.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2524.769138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.769138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.769138 (E_RNA) where: Base-Base interactions energy: -1710.683 where: short stacking energy: -771.117 Base-Backbone interact. energy: -4.035 local terms energy: -810.050808 where: bonds (distance) C4'-P energy: -148.773 bonds (distance) P-C4' energy: -158.230 flat angles C4'-P-C4' energy: -171.274 flat angles P-C4'-P energy: -115.705 tors. eta vs tors. theta energy: -216.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2167.730838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.730838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.730838 (E_RNA) where: Base-Base interactions energy: -1410.741 where: short stacking energy: -634.436 Base-Backbone interact. energy: 0.543 local terms energy: -757.532870 where: bonds (distance) C4'-P energy: -160.728 bonds (distance) P-C4' energy: -166.345 flat angles C4'-P-C4' energy: -170.691 flat angles P-C4'-P energy: -113.051 tors. eta vs tors. theta energy: -146.717 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: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1832.378115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.378115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.378115 (E_RNA) where: Base-Base interactions energy: -1174.893 where: short stacking energy: -517.046 Base-Backbone interact. energy: 1.641 local terms energy: -659.126422 where: bonds (distance) C4'-P energy: -147.497 bonds (distance) P-C4' energy: -154.506 flat angles C4'-P-C4' energy: -165.295 flat angles P-C4'-P energy: -81.982 tors. eta vs tors. theta energy: -109.846 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: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1419.596958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.596958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.596958 (E_RNA) where: Base-Base interactions energy: -843.374 where: short stacking energy: -409.270 Base-Backbone interact. energy: -2.400 local terms energy: -573.822482 where: bonds (distance) C4'-P energy: -141.363 bonds (distance) P-C4' energy: -138.952 flat angles C4'-P-C4' energy: -145.374 flat angles P-C4'-P energy: -80.856 tors. eta vs tors. theta energy: -67.278 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: 275 Temperature: 1.300000 Total energy: -1189.537216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.537216 (E_RNA) where: Base-Base interactions energy: -653.678 where: short stacking energy: -370.091 Base-Backbone interact. energy: 2.525 local terms energy: -538.384677 where: bonds (distance) C4'-P energy: -143.029 bonds (distance) P-C4' energy: -141.256 flat angles C4'-P-C4' energy: -147.068 flat angles P-C4'-P energy: -72.084 tors. eta vs tors. theta energy: -34.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -814.138791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.138791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.138791 (E_RNA) where: Base-Base interactions energy: -357.008 where: short stacking energy: -248.164 Base-Backbone interact. energy: -0.101 local terms energy: -457.029140 where: bonds (distance) C4'-P energy: -160.374 bonds (distance) P-C4' energy: -122.127 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: 15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3093.620382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.620382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.620382 (E_RNA) where: Base-Base interactions energy: -2129.682 where: short stacking energy: -929.939 Base-Backbone interact. energy: -2.195 local terms energy: -961.743164 where: bonds (distance) C4'-P energy: -178.740 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -189.899 flat angles P-C4'-P energy: -148.769 tors. eta vs tors. theta energy: -278.010 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: 276 Temperature: 0.950000 Total energy: -2955.052696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.052696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.052696 (E_RNA) where: Base-Base interactions energy: -1982.900 where: short stacking energy: -902.719 Base-Backbone interact. energy: -0.661 local terms energy: -971.492020 where: bonds (distance) C4'-P energy: -190.352 bonds (distance) P-C4' energy: -170.232 flat angles C4'-P-C4' energy: -210.512 flat angles P-C4'-P energy: -137.479 tors. eta vs tors. theta energy: -262.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2849.823399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.823399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.823399 (E_RNA) where: Base-Base interactions energy: -1945.552 where: short stacking energy: -898.989 Base-Backbone interact. energy: -4.252 local terms energy: -900.018893 where: bonds (distance) C4'-P energy: -156.190 bonds (distance) P-C4' energy: -174.288 flat angles C4'-P-C4' energy: -180.103 flat angles P-C4'-P energy: -129.324 tors. eta vs tors. theta energy: -260.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2621.478578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.478578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.478578 (E_RNA) where: Base-Base interactions energy: -1784.567 where: short stacking energy: -801.096 Base-Backbone interact. energy: -2.738 local terms energy: -834.172874 where: bonds (distance) C4'-P energy: -163.728 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -176.825 flat angles P-C4'-P energy: -139.930 tors. eta vs tors. theta energy: -202.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2478.766690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.766690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.766690 (E_RNA) where: Base-Base interactions energy: -1642.988 where: short stacking energy: -748.877 Base-Backbone interact. energy: -3.436 local terms energy: -832.342176 where: bonds (distance) C4'-P energy: -150.589 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -182.809 flat angles P-C4'-P energy: -125.820 tors. eta vs tors. theta energy: -211.391 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: 276 Temperature: 1.150000 Total energy: -2245.845386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.845386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.845386 (E_RNA) where: Base-Base interactions energy: -1492.558 where: short stacking energy: -639.402 Base-Backbone interact. energy: 0.675 local terms energy: -753.962385 where: bonds (distance) C4'-P energy: -154.327 bonds (distance) P-C4' energy: -173.175 flat angles C4'-P-C4' energy: -168.815 flat angles P-C4'-P energy: -107.942 tors. eta vs tors. theta energy: -149.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1822.473222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.473222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.473222 (E_RNA) where: Base-Base interactions energy: -1200.136 where: short stacking energy: -545.829 Base-Backbone interact. energy: 0.438 local terms energy: -622.776005 where: bonds (distance) C4'-P energy: -140.489 bonds (distance) P-C4' energy: -146.436 flat angles C4'-P-C4' energy: -156.281 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -93.272 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: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1430.225322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.225322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.225322 (E_RNA) where: Base-Base interactions energy: -896.746 where: short stacking energy: -432.786 Base-Backbone interact. energy: 2.100 local terms energy: -535.580274 where: bonds (distance) C4'-P energy: -114.616 bonds (distance) P-C4' energy: -137.221 flat angles C4'-P-C4' energy: -157.350 flat angles P-C4'-P energy: -70.381 tors. eta vs tors. theta energy: -56.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1189.008753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.008753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.008753 (E_RNA) where: Base-Base interactions energy: -646.611 where: short stacking energy: -324.983 Base-Backbone interact. energy: 0.752 local terms energy: -543.149273 where: bonds (distance) C4'-P energy: -134.423 bonds (distance) P-C4' energy: -163.265 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -12.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -754.307410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.307410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.307410 (E_RNA) where: Base-Base interactions energy: -322.963 where: short stacking energy: -212.763 Base-Backbone interact. energy: 12.341 local terms energy: -443.685704 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -139.114 flat angles C4'-P-C4' energy: -113.977 flat angles P-C4'-P energy: -91.788 tors. eta vs tors. theta energy: 36.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3080.148976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.148976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.148976 (E_RNA) where: Base-Base interactions energy: -2123.418 where: short stacking energy: -925.380 Base-Backbone interact. energy: 1.888 local terms energy: -958.618269 where: bonds (distance) C4'-P energy: -152.665 bonds (distance) P-C4' energy: -188.985 flat angles C4'-P-C4' energy: -211.847 flat angles P-C4'-P energy: -141.854 tors. eta vs tors. theta energy: -263.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2930.885051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.885051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.885051 (E_RNA) where: Base-Base interactions energy: -1989.996 where: short stacking energy: -907.917 Base-Backbone interact. energy: -2.628 local terms energy: -938.260435 where: bonds (distance) C4'-P energy: -158.951 bonds (distance) P-C4' energy: -176.817 flat angles C4'-P-C4' energy: -195.187 flat angles P-C4'-P energy: -140.712 tors. eta vs tors. theta energy: -266.593 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2870.906802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.906802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.906802 (E_RNA) where: Base-Base interactions energy: -1939.949 where: short stacking energy: -898.736 Base-Backbone interact. energy: -2.262 local terms energy: -928.696110 where: bonds (distance) C4'-P energy: -160.435 bonds (distance) P-C4' energy: -173.713 flat angles C4'-P-C4' energy: -209.146 flat angles P-C4'-P energy: -126.790 tors. eta vs tors. theta energy: -258.612 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: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2645.635743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.635743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.635743 (E_RNA) where: Base-Base interactions energy: -1802.555 where: short stacking energy: -796.172 Base-Backbone interact. energy: -0.105 local terms energy: -842.976201 where: bonds (distance) C4'-P energy: -168.789 bonds (distance) P-C4' energy: -165.151 flat angles C4'-P-C4' energy: -187.095 flat angles P-C4'-P energy: -112.120 tors. eta vs tors. theta energy: -209.821 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: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2490.107043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.107043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.107043 (E_RNA) where: Base-Base interactions energy: -1664.944 where: short stacking energy: -781.193 Base-Backbone interact. energy: 1.655 local terms energy: -826.818242 where: bonds (distance) C4'-P energy: -156.636 bonds (distance) P-C4' energy: -155.532 flat angles C4'-P-C4' energy: -176.307 flat angles P-C4'-P energy: -119.086 tors. eta vs tors. theta energy: -219.258 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: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2232.419316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.419316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.419316 (E_RNA) where: Base-Base interactions energy: -1507.595 where: short stacking energy: -650.111 Base-Backbone interact. energy: 6.171 local terms energy: -730.995231 where: bonds (distance) C4'-P energy: -165.601 bonds (distance) P-C4' energy: -143.932 flat angles C4'-P-C4' energy: -164.605 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -150.441 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: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1775.259729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.259729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.259729 (E_RNA) where: Base-Base interactions energy: -1124.161 where: short stacking energy: -488.160 Base-Backbone interact. energy: -0.376 local terms energy: -650.722798 where: bonds (distance) C4'-P energy: -170.129 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -141.590 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -96.025 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: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1406.311064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.311064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.311064 (E_RNA) where: Base-Base interactions energy: -827.018 where: short stacking energy: -404.658 Base-Backbone interact. energy: 3.814 local terms energy: -583.107088 where: bonds (distance) C4'-P energy: -153.959 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -151.980 flat angles P-C4'-P energy: -91.548 tors. eta vs tors. theta energy: -53.884 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: 277 Temperature: 1.300000 Total energy: -1147.905920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.905920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.905920 (E_RNA) where: Base-Base interactions energy: -633.568 where: short stacking energy: -355.046 Base-Backbone interact. energy: 0.270 local terms energy: -514.607689 where: bonds (distance) C4'-P energy: -128.959 bonds (distance) P-C4' energy: -155.530 flat angles C4'-P-C4' energy: -133.878 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -17.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -802.999272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.999272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.999272 (E_RNA) where: Base-Base interactions energy: -375.141 where: short stacking energy: -239.526 Base-Backbone interact. energy: 3.061 local terms energy: -430.919491 where: bonds (distance) C4'-P energy: -138.891 bonds (distance) P-C4' energy: -116.138 flat angles C4'-P-C4' energy: -110.999 flat angles P-C4'-P energy: -75.991 tors. eta vs tors. theta energy: 11.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3091.923587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.923587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.923587 (E_RNA) where: Base-Base interactions energy: -2118.460 where: short stacking energy: -937.419 Base-Backbone interact. energy: -3.150 local terms energy: -970.313416 where: bonds (distance) C4'-P energy: -161.303 bonds (distance) P-C4' energy: -189.548 flat angles C4'-P-C4' energy: -213.507 flat angles P-C4'-P energy: -136.688 tors. eta vs tors. theta energy: -269.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2920.978087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.978087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.978087 (E_RNA) where: Base-Base interactions energy: -1975.859 where: short stacking energy: -911.556 Base-Backbone interact. energy: -3.742 local terms energy: -941.377458 where: bonds (distance) C4'-P energy: -179.533 bonds (distance) P-C4' energy: -179.687 flat angles C4'-P-C4' energy: -193.005 flat angles P-C4'-P energy: -132.103 tors. eta vs tors. theta energy: -257.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2881.663894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.663894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.663894 (E_RNA) where: Base-Base interactions energy: -1931.960 where: short stacking energy: -890.480 Base-Backbone interact. energy: -2.948 local terms energy: -946.755698 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -186.164 flat angles C4'-P-C4' energy: -209.077 flat angles P-C4'-P energy: -132.267 tors. eta vs tors. theta energy: -256.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2616.371150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.371150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.371150 (E_RNA) where: Base-Base interactions energy: -1775.308 where: short stacking energy: -785.242 Base-Backbone interact. energy: -3.067 local terms energy: -837.995302 where: bonds (distance) C4'-P energy: -168.346 bonds (distance) P-C4' energy: -162.643 flat angles C4'-P-C4' energy: -182.774 flat angles P-C4'-P energy: -131.601 tors. eta vs tors. theta energy: -192.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2492.919609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.919609 (E_RNA) where: Base-Base interactions energy: -1691.576 where: short stacking energy: -745.802 Base-Backbone interact. energy: 1.230 local terms energy: -802.573581 where: bonds (distance) C4'-P energy: -154.645 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -168.048 flat angles P-C4'-P energy: -107.123 tors. eta vs tors. theta energy: -222.046 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: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2251.171499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.171499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.171499 (E_RNA) where: Base-Base interactions energy: -1518.606 where: short stacking energy: -633.279 Base-Backbone interact. energy: -2.309 local terms energy: -730.256683 where: bonds (distance) C4'-P energy: -135.921 bonds (distance) P-C4' energy: -168.372 flat angles C4'-P-C4' energy: -178.328 flat angles P-C4'-P energy: -99.277 tors. eta vs tors. theta energy: -148.358 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: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1838.047064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.047064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.047064 (E_RNA) where: Base-Base interactions energy: -1181.529 where: short stacking energy: -545.360 Base-Backbone interact. energy: 4.989 local terms energy: -661.507724 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -175.725 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -79.085 tors. eta vs tors. theta energy: -96.383 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: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1405.222953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.222953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.222953 (E_RNA) where: Base-Base interactions energy: -852.648 where: short stacking energy: -433.116 Base-Backbone interact. energy: 2.438 local terms energy: -555.012569 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -153.045 flat angles C4'-P-C4' energy: -116.373 flat angles P-C4'-P energy: -90.793 tors. eta vs tors. theta energy: -61.383 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: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1198.866611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.866611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.866611 (E_RNA) where: Base-Base interactions energy: -708.858 where: short stacking energy: -355.305 Base-Backbone interact. energy: 0.301 local terms energy: -490.310456 where: bonds (distance) C4'-P energy: -128.740 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -115.136 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -29.525 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: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -805.117102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.117102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.117102 (E_RNA) where: Base-Base interactions energy: -346.233 where: short stacking energy: -232.260 Base-Backbone interact. energy: -0.237 local terms energy: -458.646952 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -178.401 flat angles C4'-P-C4' energy: -125.266 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: 20.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3083.133922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.133922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.133922 (E_RNA) where: Base-Base interactions energy: -2122.040 where: short stacking energy: -946.320 Base-Backbone interact. energy: -2.760 local terms energy: -958.332999 where: bonds (distance) C4'-P energy: -176.835 bonds (distance) P-C4' energy: -182.981 flat angles C4'-P-C4' energy: -206.106 flat angles P-C4'-P energy: -119.502 tors. eta vs tors. theta energy: -272.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2947.253655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.253655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.253655 (E_RNA) where: Base-Base interactions energy: -2012.692 where: short stacking energy: -925.702 Base-Backbone interact. energy: -2.553 local terms energy: -932.008648 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -201.213 flat angles P-C4'-P energy: -131.653 tors. eta vs tors. theta energy: -270.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2846.898609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.898609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.898609 (E_RNA) where: Base-Base interactions energy: -1938.564 where: short stacking energy: -901.879 Base-Backbone interact. energy: -2.938 local terms energy: -905.396628 where: bonds (distance) C4'-P energy: -165.393 bonds (distance) P-C4' energy: -158.007 flat angles C4'-P-C4' energy: -188.298 flat angles P-C4'-P energy: -120.587 tors. eta vs tors. theta energy: -273.112 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: 279 Temperature: 1.050000 Total energy: -2618.109903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.109903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.109903 (E_RNA) where: Base-Base interactions energy: -1796.640 where: short stacking energy: -790.504 Base-Backbone interact. energy: 1.106 local terms energy: -822.575966 where: bonds (distance) C4'-P energy: -159.905 bonds (distance) P-C4' energy: -176.658 flat angles C4'-P-C4' energy: -179.264 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -185.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2585.385984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.385984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.385984 (E_RNA) where: Base-Base interactions energy: -1745.102 where: short stacking energy: -764.300 Base-Backbone interact. energy: -0.556 local terms energy: -839.728216 where: bonds (distance) C4'-P energy: -155.179 bonds (distance) P-C4' energy: -177.484 flat angles C4'-P-C4' energy: -182.019 flat angles P-C4'-P energy: -116.754 tors. eta vs tors. theta energy: -208.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2211.324865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.324865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.324865 (E_RNA) where: Base-Base interactions energy: -1474.799 where: short stacking energy: -640.846 Base-Backbone interact. energy: -4.849 local terms energy: -731.677182 where: bonds (distance) C4'-P energy: -139.360 bonds (distance) P-C4' energy: -168.712 flat angles C4'-P-C4' energy: -163.703 flat angles P-C4'-P energy: -110.100 tors. eta vs tors. theta energy: -149.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1858.669226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.669226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.669226 (E_RNA) where: Base-Base interactions energy: -1186.820 where: short stacking energy: -594.429 Base-Backbone interact. energy: -0.478 local terms energy: -671.370523 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -151.739 flat angles C4'-P-C4' energy: -162.614 flat angles P-C4'-P energy: -95.212 tors. eta vs tors. theta energy: -127.829 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1488.880186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.880186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.880186 (E_RNA) where: Base-Base interactions energy: -882.333 where: short stacking energy: -459.313 Base-Backbone interact. energy: -2.188 local terms energy: -604.359379 where: bonds (distance) C4'-P energy: -142.243 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -87.052 tors. eta vs tors. theta energy: -78.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1287.356084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.356084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.356084 (E_RNA) where: Base-Base interactions energy: -746.209 where: short stacking energy: -383.912 Base-Backbone interact. energy: 5.478 local terms energy: -546.625920 where: bonds (distance) C4'-P energy: -134.970 bonds (distance) P-C4' energy: -150.183 flat angles C4'-P-C4' energy: -128.880 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -41.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -830.076916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.076916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.076916 (E_RNA) where: Base-Base interactions energy: -374.901 where: short stacking energy: -254.066 Base-Backbone interact. energy: 1.229 local terms energy: -456.405732 where: bonds (distance) C4'-P energy: -145.349 bonds (distance) P-C4' energy: -126.763 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: 18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3078.363984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.363984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.363984 (E_RNA) where: Base-Base interactions energy: -2097.675 where: short stacking energy: -928.895 Base-Backbone interact. energy: -4.213 local terms energy: -976.476157 where: bonds (distance) C4'-P energy: -183.377 bonds (distance) P-C4' energy: -174.977 flat angles C4'-P-C4' energy: -197.203 flat angles P-C4'-P energy: -142.624 tors. eta vs tors. theta energy: -278.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2899.194332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.194332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.194332 (E_RNA) where: Base-Base interactions energy: -2006.963 where: short stacking energy: -890.572 Base-Backbone interact. energy: 1.580 local terms energy: -893.810770 where: bonds (distance) C4'-P energy: -158.743 bonds (distance) P-C4' energy: -166.822 flat angles C4'-P-C4' energy: -196.215 flat angles P-C4'-P energy: -124.527 tors. eta vs tors. theta energy: -247.505 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: 280 Temperature: 1.000000 Total energy: -2877.964659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.964659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.964659 (E_RNA) where: Base-Base interactions energy: -1945.470 where: short stacking energy: -889.402 Base-Backbone interact. energy: -1.323 local terms energy: -931.172167 where: bonds (distance) C4'-P energy: -175.533 bonds (distance) P-C4' energy: -162.453 flat angles C4'-P-C4' energy: -194.081 flat angles P-C4'-P energy: -132.398 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: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2658.319725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.319725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.319725 (E_RNA) where: Base-Base interactions energy: -1786.607 where: short stacking energy: -811.327 Base-Backbone interact. energy: -3.633 local terms energy: -868.079906 where: bonds (distance) C4'-P energy: -159.903 bonds (distance) P-C4' energy: -170.223 flat angles C4'-P-C4' energy: -197.465 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -213.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2561.611750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.611750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.611750 (E_RNA) where: Base-Base interactions energy: -1725.961 where: short stacking energy: -780.912 Base-Backbone interact. energy: -0.126 local terms energy: -835.524040 where: bonds (distance) C4'-P energy: -161.463 bonds (distance) P-C4' energy: -163.851 flat angles C4'-P-C4' energy: -185.653 flat angles P-C4'-P energy: -90.238 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: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2205.858455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.858455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.858455 (E_RNA) where: Base-Base interactions energy: -1453.639 where: short stacking energy: -610.398 Base-Backbone interact. energy: -2.201 local terms energy: -750.018986 where: bonds (distance) C4'-P energy: -157.801 bonds (distance) P-C4' energy: -154.137 flat angles C4'-P-C4' energy: -173.199 flat angles P-C4'-P energy: -121.586 tors. eta vs tors. theta energy: -143.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1893.988210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.988210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.988210 (E_RNA) where: Base-Base interactions energy: -1178.571 where: short stacking energy: -549.489 Base-Backbone interact. energy: -3.764 local terms energy: -711.653137 where: bonds (distance) C4'-P energy: -164.207 bonds (distance) P-C4' energy: -158.488 flat angles C4'-P-C4' energy: -171.105 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -130.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1525.406780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.406780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.406780 (E_RNA) where: Base-Base interactions energy: -938.433 where: short stacking energy: -440.338 Base-Backbone interact. energy: 5.367 local terms energy: -592.340266 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -162.983 flat angles C4'-P-C4' energy: -136.041 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -65.228 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: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1175.509495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.509495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.509495 (E_RNA) where: Base-Base interactions energy: -674.279 where: short stacking energy: -338.511 Base-Backbone interact. energy: 0.080 local terms energy: -501.310947 where: bonds (distance) C4'-P energy: -149.883 bonds (distance) P-C4' energy: -138.519 flat angles C4'-P-C4' energy: -115.926 flat angles P-C4'-P energy: -85.876 tors. eta vs tors. theta energy: -11.108 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: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -795.301582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.301582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.301582 (E_RNA) where: Base-Base interactions energy: -359.357 where: short stacking energy: -222.937 Base-Backbone interact. energy: 1.796 local terms energy: -437.741434 where: bonds (distance) C4'-P energy: -128.560 bonds (distance) P-C4' energy: -144.217 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -74.554 tors. eta vs tors. theta energy: 29.336 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: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3091.268333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.268333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.268333 (E_RNA) where: Base-Base interactions energy: -2121.418 where: short stacking energy: -938.103 Base-Backbone interact. energy: -4.219 local terms energy: -965.631583 where: bonds (distance) C4'-P energy: -177.300 bonds (distance) P-C4' energy: -169.511 flat angles C4'-P-C4' energy: -202.941 flat angles P-C4'-P energy: -146.683 tors. eta vs tors. theta energy: -269.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2984.175732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.175732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.175732 (E_RNA) where: Base-Base interactions energy: -2026.513 where: short stacking energy: -874.900 Base-Backbone interact. energy: -1.714 local terms energy: -955.948717 where: bonds (distance) C4'-P energy: -185.158 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -212.914 flat angles P-C4'-P energy: -139.061 tors. eta vs tors. theta energy: -246.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2873.950056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.950056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.950056 (E_RNA) where: Base-Base interactions energy: -1933.098 where: short stacking energy: -895.389 Base-Backbone interact. energy: -1.778 local terms energy: -939.073554 where: bonds (distance) C4'-P energy: -172.014 bonds (distance) P-C4' energy: -184.442 flat angles C4'-P-C4' energy: -196.620 flat angles P-C4'-P energy: -118.961 tors. eta vs tors. theta energy: -267.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2611.186566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.186566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.186566 (E_RNA) where: Base-Base interactions energy: -1757.480 where: short stacking energy: -802.905 Base-Backbone interact. energy: 0.610 local terms energy: -854.316544 where: bonds (distance) C4'-P energy: -167.475 bonds (distance) P-C4' energy: -164.212 flat angles C4'-P-C4' energy: -186.559 flat angles P-C4'-P energy: -121.800 tors. eta vs tors. theta energy: -214.272 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: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2545.746468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.746468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.746468 (E_RNA) where: Base-Base interactions energy: -1743.371 where: short stacking energy: -749.225 Base-Backbone interact. energy: 4.936 local terms energy: -807.311681 where: bonds (distance) C4'-P energy: -146.097 bonds (distance) P-C4' energy: -156.535 flat angles C4'-P-C4' energy: -180.090 flat angles P-C4'-P energy: -116.384 tors. eta vs tors. theta energy: -208.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2233.594746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.594746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.594746 (E_RNA) where: Base-Base interactions energy: -1507.680 where: short stacking energy: -657.520 Base-Backbone interact. energy: -0.706 local terms energy: -725.209119 where: bonds (distance) C4'-P energy: -145.852 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -169.360 flat angles P-C4'-P energy: -103.682 tors. eta vs tors. theta energy: -143.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1882.427188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.427188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.427188 (E_RNA) where: Base-Base interactions energy: -1223.766 where: short stacking energy: -537.148 Base-Backbone interact. energy: -0.071 local terms energy: -658.590928 where: bonds (distance) C4'-P energy: -154.326 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -147.112 flat angles P-C4'-P energy: -109.987 tors. eta vs tors. theta energy: -104.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1506.969113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.969113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.969113 (E_RNA) where: Base-Base interactions energy: -935.765 where: short stacking energy: -444.162 Base-Backbone interact. energy: 6.634 local terms energy: -577.837684 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -163.383 flat angles C4'-P-C4' energy: -134.575 flat angles P-C4'-P energy: -86.200 tors. eta vs tors. theta energy: -68.856 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: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1138.130022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.130022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.130022 (E_RNA) where: Base-Base interactions energy: -660.566 where: short stacking energy: -342.531 Base-Backbone interact. energy: -1.350 local terms energy: -476.213244 where: bonds (distance) C4'-P energy: -134.070 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -113.374 flat angles P-C4'-P energy: -87.510 tors. eta vs tors. theta energy: -13.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -826.315375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.315375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.315375 (E_RNA) where: Base-Base interactions energy: -373.705 where: short stacking energy: -258.344 Base-Backbone interact. energy: 0.364 local terms energy: -452.973900 where: bonds (distance) C4'-P energy: -138.974 bonds (distance) P-C4' energy: -131.032 flat angles C4'-P-C4' energy: -117.334 flat angles P-C4'-P energy: -69.877 tors. eta vs tors. theta energy: 4.242 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: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3106.670082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.670082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.670082 (E_RNA) where: Base-Base interactions energy: -2132.645 where: short stacking energy: -930.310 Base-Backbone interact. energy: -1.527 local terms energy: -972.497414 where: bonds (distance) C4'-P energy: -179.590 bonds (distance) P-C4' energy: -193.294 flat angles C4'-P-C4' energy: -201.643 flat angles P-C4'-P energy: -132.726 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: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2969.299569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.299569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.299569 (E_RNA) where: Base-Base interactions energy: -1999.660 where: short stacking energy: -921.878 Base-Backbone interact. energy: -3.748 local terms energy: -965.891389 where: bonds (distance) C4'-P energy: -175.483 bonds (distance) P-C4' energy: -177.242 flat angles C4'-P-C4' energy: -199.289 flat angles P-C4'-P energy: -141.532 tors. eta vs tors. theta energy: -272.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2839.943191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.943191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.943191 (E_RNA) where: Base-Base interactions energy: -1891.796 where: short stacking energy: -883.477 Base-Backbone interact. energy: -4.493 local terms energy: -943.654352 where: bonds (distance) C4'-P energy: -179.380 bonds (distance) P-C4' energy: -184.336 flat angles C4'-P-C4' energy: -203.238 flat angles P-C4'-P energy: -119.153 tors. eta vs tors. theta energy: -257.547 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: 282 Temperature: 1.050000 Total energy: -2600.142786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.142786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.142786 (E_RNA) where: Base-Base interactions energy: -1750.325 where: short stacking energy: -784.927 Base-Backbone interact. energy: 0.758 local terms energy: -850.576135 where: bonds (distance) C4'-P energy: -152.038 bonds (distance) P-C4' energy: -181.834 flat angles C4'-P-C4' energy: -197.660 flat angles P-C4'-P energy: -116.184 tors. eta vs tors. theta energy: -202.861 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: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2536.810595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.810595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.810595 (E_RNA) where: Base-Base interactions energy: -1720.411 where: short stacking energy: -748.501 Base-Backbone interact. energy: 3.047 local terms energy: -819.446924 where: bonds (distance) C4'-P energy: -153.529 bonds (distance) P-C4' energy: -169.699 flat angles C4'-P-C4' energy: -172.839 flat angles P-C4'-P energy: -116.369 tors. eta vs tors. theta energy: -207.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2146.382121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.382121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.382121 (E_RNA) where: Base-Base interactions energy: -1434.220 where: short stacking energy: -579.767 Base-Backbone interact. energy: -4.726 local terms energy: -707.435708 where: bonds (distance) C4'-P energy: -166.734 bonds (distance) P-C4' energy: -169.095 flat angles C4'-P-C4' energy: -155.369 flat angles P-C4'-P energy: -89.932 tors. eta vs tors. theta energy: -126.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1861.245825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.245825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.245825 (E_RNA) where: Base-Base interactions energy: -1172.627 where: short stacking energy: -524.881 Base-Backbone interact. energy: -0.946 local terms energy: -687.672820 where: bonds (distance) C4'-P energy: -146.530 bonds (distance) P-C4' energy: -160.387 flat angles C4'-P-C4' energy: -160.605 flat angles P-C4'-P energy: -102.454 tors. eta vs tors. theta energy: -117.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1638.864728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.864728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.864728 (E_RNA) where: Base-Base interactions energy: -1021.325 where: short stacking energy: -468.266 Base-Backbone interact. energy: 0.088 local terms energy: -617.628315 where: bonds (distance) C4'-P energy: -146.063 bonds (distance) P-C4' energy: -163.247 flat angles C4'-P-C4' energy: -157.149 flat angles P-C4'-P energy: -79.833 tors. eta vs tors. theta energy: -71.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1050.046580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.046580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.046580 (E_RNA) where: Base-Base interactions energy: -579.235 where: short stacking energy: -309.264 Base-Backbone interact. energy: 12.408 local terms energy: -483.219682 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -151.496 flat angles C4'-P-C4' energy: -126.947 flat angles P-C4'-P energy: -70.358 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -781.133657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.133657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.133657 (E_RNA) where: Base-Base interactions energy: -302.439 where: short stacking energy: -217.729 Base-Backbone interact. energy: 1.409 local terms energy: -480.103404 where: bonds (distance) C4'-P energy: -149.586 bonds (distance) P-C4' energy: -133.302 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -90.134 tors. eta vs tors. theta energy: 31.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3092.895009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.895009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.895009 (E_RNA) where: Base-Base interactions energy: -2137.492 where: short stacking energy: -918.665 Base-Backbone interact. energy: -3.113 local terms energy: -952.290633 where: bonds (distance) C4'-P energy: -180.955 bonds (distance) P-C4' energy: -169.961 flat angles C4'-P-C4' energy: -209.227 flat angles P-C4'-P energy: -133.698 tors. eta vs tors. theta energy: -258.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2955.103377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.103377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.103377 (E_RNA) where: Base-Base interactions energy: -2022.662 where: short stacking energy: -899.084 Base-Backbone interact. energy: -0.825 local terms energy: -931.616433 where: bonds (distance) C4'-P energy: -165.521 bonds (distance) P-C4' energy: -186.826 flat angles C4'-P-C4' energy: -200.129 flat angles P-C4'-P energy: -126.618 tors. eta vs tors. theta energy: -252.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2850.745596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.745596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.745596 (E_RNA) where: Base-Base interactions energy: -1915.711 where: short stacking energy: -875.029 Base-Backbone interact. energy: -3.191 local terms energy: -931.842988 where: bonds (distance) C4'-P energy: -180.218 bonds (distance) P-C4' energy: -170.676 flat angles C4'-P-C4' energy: -191.791 flat angles P-C4'-P energy: -133.844 tors. eta vs tors. theta energy: -255.314 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2589.022807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.022807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.022807 (E_RNA) where: Base-Base interactions energy: -1761.060 where: short stacking energy: -796.432 Base-Backbone interact. energy: 1.521 local terms energy: -829.483483 where: bonds (distance) C4'-P energy: -154.794 bonds (distance) P-C4' energy: -166.736 flat angles C4'-P-C4' energy: -171.370 flat angles P-C4'-P energy: -129.044 tors. eta vs tors. theta energy: -207.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2509.113701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.113701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.113701 (E_RNA) where: Base-Base interactions energy: -1667.800 where: short stacking energy: -757.181 Base-Backbone interact. energy: -0.581 local terms energy: -840.732093 where: bonds (distance) C4'-P energy: -170.239 bonds (distance) P-C4' energy: -165.685 flat angles C4'-P-C4' energy: -185.399 flat angles P-C4'-P energy: -121.216 tors. eta vs tors. theta energy: -198.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2249.775479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.775479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.775479 (E_RNA) where: Base-Base interactions energy: -1531.130 where: short stacking energy: -634.514 Base-Backbone interact. energy: -5.818 local terms energy: -712.827935 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -183.921 flat angles C4'-P-C4' energy: -168.625 flat angles P-C4'-P energy: -108.954 tors. eta vs tors. theta energy: -126.622 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: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1894.569961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.569961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.569961 (E_RNA) where: Base-Base interactions energy: -1196.585 where: short stacking energy: -546.211 Base-Backbone interact. energy: 0.491 local terms energy: -698.475622 where: bonds (distance) C4'-P energy: -162.489 bonds (distance) P-C4' energy: -163.165 flat angles C4'-P-C4' energy: -163.662 flat angles P-C4'-P energy: -80.747 tors. eta vs tors. theta energy: -128.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1615.417837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.417837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.417837 (E_RNA) where: Base-Base interactions energy: -992.997 where: short stacking energy: -456.699 Base-Backbone interact. energy: -3.819 local terms energy: -618.602197 where: bonds (distance) C4'-P energy: -139.093 bonds (distance) P-C4' energy: -142.243 flat angles C4'-P-C4' energy: -157.090 flat angles P-C4'-P energy: -86.931 tors. eta vs tors. theta energy: -93.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1090.885834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.885834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.885834 (E_RNA) where: Base-Base interactions energy: -593.950 where: short stacking energy: -293.983 Base-Backbone interact. energy: 0.336 local terms energy: -497.271692 where: bonds (distance) C4'-P energy: -153.985 bonds (distance) P-C4' energy: -135.454 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -67.079 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: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -770.956286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.956286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.956286 (E_RNA) where: Base-Base interactions energy: -335.456 where: short stacking energy: -190.666 Base-Backbone interact. energy: 0.025 local terms energy: -435.524714 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -151.747 flat angles C4'-P-C4' energy: -117.630 flat angles P-C4'-P energy: -65.878 tors. eta vs tors. theta energy: 42.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3085.482853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.482853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.482853 (E_RNA) where: Base-Base interactions energy: -2121.645 where: short stacking energy: -922.614 Base-Backbone interact. energy: -5.387 local terms energy: -958.450335 where: bonds (distance) C4'-P energy: -186.673 bonds (distance) P-C4' energy: -173.775 flat angles C4'-P-C4' energy: -207.034 flat angles P-C4'-P energy: -126.894 tors. eta vs tors. theta energy: -264.075 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: -2972.268002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.268002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.268002 (E_RNA) where: Base-Base interactions energy: -2012.348 where: short stacking energy: -924.494 Base-Backbone interact. energy: -1.530 local terms energy: -958.389658 where: bonds (distance) C4'-P energy: -165.294 bonds (distance) P-C4' energy: -185.292 flat angles C4'-P-C4' energy: -208.372 flat angles P-C4'-P energy: -132.906 tors. eta vs tors. theta energy: -266.526 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: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2824.475400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.475400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.475400 (E_RNA) where: Base-Base interactions energy: -1885.424 where: short stacking energy: -876.092 Base-Backbone interact. energy: -0.377 local terms energy: -938.673785 where: bonds (distance) C4'-P energy: -174.058 bonds (distance) P-C4' energy: -177.694 flat angles C4'-P-C4' energy: -190.973 flat angles P-C4'-P energy: -131.143 tors. eta vs tors. theta energy: -264.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2655.041214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.041214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.041214 (E_RNA) where: Base-Base interactions energy: -1791.206 where: short stacking energy: -783.818 Base-Backbone interact. energy: -0.661 local terms energy: -863.174176 where: bonds (distance) C4'-P energy: -169.068 bonds (distance) P-C4' energy: -175.403 flat angles C4'-P-C4' energy: -182.863 flat angles P-C4'-P energy: -126.569 tors. eta vs tors. theta energy: -209.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2541.589823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.589823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.589823 (E_RNA) where: Base-Base interactions energy: -1707.104 where: short stacking energy: -785.368 Base-Backbone interact. energy: -3.422 local terms energy: -831.063775 where: bonds (distance) C4'-P energy: -166.218 bonds (distance) P-C4' energy: -164.604 flat angles C4'-P-C4' energy: -165.414 flat angles P-C4'-P energy: -116.417 tors. eta vs tors. theta energy: -218.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2257.550921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.550921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.550921 (E_RNA) where: Base-Base interactions energy: -1509.051 where: short stacking energy: -622.826 Base-Backbone interact. energy: -6.321 local terms energy: -742.179258 where: bonds (distance) C4'-P energy: -163.468 bonds (distance) P-C4' energy: -135.951 flat angles C4'-P-C4' energy: -177.500 flat angles P-C4'-P energy: -122.258 tors. eta vs tors. theta energy: -143.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1951.751482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.751482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.751482 (E_RNA) where: Base-Base interactions energy: -1248.972 where: short stacking energy: -567.100 Base-Backbone interact. energy: -4.209 local terms energy: -698.570288 where: bonds (distance) C4'-P energy: -163.536 bonds (distance) P-C4' energy: -172.614 flat angles C4'-P-C4' energy: -154.964 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -108.925 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: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1597.742632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.742632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.742632 (E_RNA) where: Base-Base interactions energy: -1036.245 where: short stacking energy: -445.870 Base-Backbone interact. energy: -5.945 local terms energy: -555.552776 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -71.442 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: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1114.361257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.361257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.361257 (E_RNA) where: Base-Base interactions energy: -589.719 where: short stacking energy: -319.732 Base-Backbone interact. energy: 3.163 local terms energy: -527.804872 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -144.185 flat angles C4'-P-C4' energy: -148.668 flat angles P-C4'-P energy: -77.125 tors. eta vs tors. theta energy: -17.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -817.434853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.434853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.434853 (E_RNA) where: Base-Base interactions energy: -347.173 where: short stacking energy: -217.662 Base-Backbone interact. energy: -0.710 local terms energy: -469.551442 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -153.410 flat angles C4'-P-C4' energy: -127.162 flat angles P-C4'-P energy: -81.887 tors. eta vs tors. theta energy: 25.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3097.246989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.246989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.246989 (E_RNA) where: Base-Base interactions energy: -2140.013 where: short stacking energy: -913.645 Base-Backbone interact. energy: -0.990 local terms energy: -956.243977 where: bonds (distance) C4'-P energy: -179.700 bonds (distance) P-C4' energy: -188.558 flat angles C4'-P-C4' energy: -196.217 flat angles P-C4'-P energy: -131.500 tors. eta vs tors. theta energy: -260.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2945.835539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.835539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.835539 (E_RNA) where: Base-Base interactions energy: -2017.967 where: short stacking energy: -894.699 Base-Backbone interact. energy: -3.985 local terms energy: -923.883637 where: bonds (distance) C4'-P energy: -158.586 bonds (distance) P-C4' energy: -169.691 flat angles C4'-P-C4' energy: -207.817 flat angles P-C4'-P energy: -129.543 tors. eta vs tors. theta energy: -258.247 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: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2733.734996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.734996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.734996 (E_RNA) where: Base-Base interactions energy: -1850.525 where: short stacking energy: -860.518 Base-Backbone interact. energy: -1.733 local terms energy: -881.476992 where: bonds (distance) C4'-P energy: -163.342 bonds (distance) P-C4' energy: -166.196 flat angles C4'-P-C4' energy: -171.577 flat angles P-C4'-P energy: -122.201 tors. eta vs tors. theta energy: -258.161 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: 285 Temperature: 1.050000 Total energy: -2619.157918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.157918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.157918 (E_RNA) where: Base-Base interactions energy: -1774.947 where: short stacking energy: -799.169 Base-Backbone interact. energy: -1.327 local terms energy: -842.883595 where: bonds (distance) C4'-P energy: -154.748 bonds (distance) P-C4' energy: -171.871 flat angles C4'-P-C4' energy: -183.046 flat angles P-C4'-P energy: -130.503 tors. eta vs tors. theta energy: -202.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2536.092110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.092110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.092110 (E_RNA) where: Base-Base interactions energy: -1715.935 where: short stacking energy: -766.031 Base-Backbone interact. energy: -5.860 local terms energy: -814.297039 where: bonds (distance) C4'-P energy: -171.863 bonds (distance) P-C4' energy: -162.002 flat angles C4'-P-C4' energy: -167.318 flat angles P-C4'-P energy: -109.666 tors. eta vs tors. theta energy: -203.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2232.728483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.728483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.728483 (E_RNA) where: Base-Base interactions energy: -1511.036 where: short stacking energy: -629.868 Base-Backbone interact. energy: -5.160 local terms energy: -716.532546 where: bonds (distance) C4'-P energy: -146.532 bonds (distance) P-C4' energy: -180.734 flat angles C4'-P-C4' energy: -162.978 flat angles P-C4'-P energy: -102.738 tors. eta vs tors. theta energy: -123.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1895.650146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.650146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.650146 (E_RNA) where: Base-Base interactions energy: -1255.125 where: short stacking energy: -578.244 Base-Backbone interact. energy: 3.446 local terms energy: -643.971081 where: bonds (distance) C4'-P energy: -124.771 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -163.646 flat angles P-C4'-P energy: -97.440 tors. eta vs tors. theta energy: -129.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1626.288662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.288662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.288662 (E_RNA) where: Base-Base interactions energy: -1004.367 where: short stacking energy: -452.273 Base-Backbone interact. energy: 5.898 local terms energy: -627.819395 where: bonds (distance) C4'-P energy: -126.704 bonds (distance) P-C4' energy: -161.713 flat angles C4'-P-C4' energy: -155.339 flat angles P-C4'-P energy: -103.582 tors. eta vs tors. theta energy: -80.481 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: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1174.223384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.223384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.223384 (E_RNA) where: Base-Base interactions energy: -669.209 where: short stacking energy: -354.581 Base-Backbone interact. energy: -0.409 local terms energy: -504.605483 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -145.799 flat angles C4'-P-C4' energy: -134.714 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -10.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -840.859918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.859918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.859918 (E_RNA) where: Base-Base interactions energy: -384.463 where: short stacking energy: -250.689 Base-Backbone interact. energy: -2.558 local terms energy: -453.838320 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -146.224 flat angles C4'-P-C4' energy: -137.997 flat angles P-C4'-P energy: -41.336 tors. eta vs tors. theta energy: 11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3108.887709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.887709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.887709 (E_RNA) where: Base-Base interactions energy: -2144.468 where: short stacking energy: -938.995 Base-Backbone interact. energy: -2.685 local terms energy: -961.734494 where: bonds (distance) C4'-P energy: -171.513 bonds (distance) P-C4' energy: -182.844 flat angles C4'-P-C4' energy: -200.811 flat angles P-C4'-P energy: -143.138 tors. eta vs tors. theta energy: -263.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2948.125261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.125261 (E_RNA) where: Base-Base interactions energy: -1987.565 where: short stacking energy: -883.272 Base-Backbone interact. energy: -2.689 local terms energy: -957.871566 where: bonds (distance) C4'-P energy: -161.663 bonds (distance) P-C4' energy: -175.286 flat angles C4'-P-C4' energy: -208.315 flat angles P-C4'-P energy: -145.557 tors. eta vs tors. theta energy: -267.050 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: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2754.712923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.712923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.712923 (E_RNA) where: Base-Base interactions energy: -1842.972 where: short stacking energy: -846.823 Base-Backbone interact. energy: -5.399 local terms energy: -906.342015 where: bonds (distance) C4'-P energy: -182.069 bonds (distance) P-C4' energy: -162.973 flat angles C4'-P-C4' energy: -193.469 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -242.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2587.216414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.216414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.216414 (E_RNA) where: Base-Base interactions energy: -1749.784 where: short stacking energy: -776.562 Base-Backbone interact. energy: -0.365 local terms energy: -837.067933 where: bonds (distance) C4'-P energy: -160.241 bonds (distance) P-C4' energy: -161.493 flat angles C4'-P-C4' energy: -196.491 flat angles P-C4'-P energy: -125.919 tors. eta vs tors. theta energy: -192.923 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: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2496.459966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.459966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.459966 (E_RNA) where: Base-Base interactions energy: -1661.865 where: short stacking energy: -750.658 Base-Backbone interact. energy: 0.377 local terms energy: -834.972317 where: bonds (distance) C4'-P energy: -167.711 bonds (distance) P-C4' energy: -155.080 flat angles C4'-P-C4' energy: -185.115 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -205.503 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: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2245.567457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.567457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.567457 (E_RNA) where: Base-Base interactions energy: -1488.282 where: short stacking energy: -640.474 Base-Backbone interact. energy: 0.268 local terms energy: -757.553589 where: bonds (distance) C4'-P energy: -158.118 bonds (distance) P-C4' energy: -171.382 flat angles C4'-P-C4' energy: -175.262 flat angles P-C4'-P energy: -125.405 tors. eta vs tors. theta energy: -127.387 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: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1919.269613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.269613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.269613 (E_RNA) where: Base-Base interactions energy: -1246.542 where: short stacking energy: -581.668 Base-Backbone interact. energy: -5.325 local terms energy: -667.402852 where: bonds (distance) C4'-P energy: -147.807 bonds (distance) P-C4' energy: -145.806 flat angles C4'-P-C4' energy: -150.115 flat angles P-C4'-P energy: -93.433 tors. eta vs tors. theta energy: -130.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1506.742635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.742635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.742635 (E_RNA) where: Base-Base interactions energy: -904.856 where: short stacking energy: -434.007 Base-Backbone interact. energy: -1.329 local terms energy: -600.558508 where: bonds (distance) C4'-P energy: -143.050 bonds (distance) P-C4' energy: -139.333 flat angles C4'-P-C4' energy: -148.421 flat angles P-C4'-P energy: -96.720 tors. eta vs tors. theta energy: -73.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1278.399202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.399202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.399202 (E_RNA) where: Base-Base interactions energy: -773.182 where: short stacking energy: -374.695 Base-Backbone interact. energy: -2.763 local terms energy: -502.453896 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -148.962 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -43.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -823.310170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.310170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.310170 (E_RNA) where: Base-Base interactions energy: -379.876 where: short stacking energy: -235.014 Base-Backbone interact. energy: 2.481 local terms energy: -445.915681 where: bonds (distance) C4'-P energy: -121.549 bonds (distance) P-C4' energy: -151.169 flat angles C4'-P-C4' energy: -111.068 flat angles P-C4'-P energy: -81.579 tors. eta vs tors. theta energy: 19.449 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: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3087.453834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.453834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.453834 (E_RNA) where: Base-Base interactions energy: -2152.694 where: short stacking energy: -923.501 Base-Backbone interact. energy: -1.641 local terms energy: -933.119319 where: bonds (distance) C4'-P energy: -174.767 bonds (distance) P-C4' energy: -173.708 flat angles C4'-P-C4' energy: -203.379 flat angles P-C4'-P energy: -134.820 tors. eta vs tors. theta energy: -246.445 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: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2958.153553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.153553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.153553 (E_RNA) where: Base-Base interactions energy: -2004.938 where: short stacking energy: -921.328 Base-Backbone interact. energy: 1.074 local terms energy: -954.289806 where: bonds (distance) C4'-P energy: -172.563 bonds (distance) P-C4' energy: -182.006 flat angles C4'-P-C4' energy: -209.401 flat angles P-C4'-P energy: -129.369 tors. eta vs tors. theta energy: -260.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2779.754581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.754581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.754581 (E_RNA) where: Base-Base interactions energy: -1894.691 where: short stacking energy: -860.439 Base-Backbone interact. energy: -2.163 local terms energy: -882.900854 where: bonds (distance) C4'-P energy: -174.362 bonds (distance) P-C4' energy: -167.659 flat angles C4'-P-C4' energy: -189.093 flat angles P-C4'-P energy: -119.171 tors. eta vs tors. theta energy: -232.615 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: 287 Temperature: 1.050000 Total energy: -2575.513031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.513031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.513031 (E_RNA) where: Base-Base interactions energy: -1736.842 where: short stacking energy: -792.647 Base-Backbone interact. energy: -0.785 local terms energy: -837.885834 where: bonds (distance) C4'-P energy: -164.316 bonds (distance) P-C4' energy: -167.731 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -120.068 tors. eta vs tors. theta energy: -209.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2512.632550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.632550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.632550 (E_RNA) where: Base-Base interactions energy: -1691.783 where: short stacking energy: -785.035 Base-Backbone interact. energy: 9.054 local terms energy: -829.902766 where: bonds (distance) C4'-P energy: -154.809 bonds (distance) P-C4' energy: -165.110 flat angles C4'-P-C4' energy: -170.161 flat angles P-C4'-P energy: -123.505 tors. eta vs tors. theta energy: -216.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2233.081207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.081207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.081207 (E_RNA) where: Base-Base interactions energy: -1526.149 where: short stacking energy: -660.268 Base-Backbone interact. energy: 4.366 local terms energy: -711.297738 where: bonds (distance) C4'-P energy: -145.283 bonds (distance) P-C4' energy: -159.100 flat angles C4'-P-C4' energy: -155.941 flat angles P-C4'-P energy: -96.530 tors. eta vs tors. theta energy: -154.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1901.516903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.516903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.516903 (E_RNA) where: Base-Base interactions energy: -1240.669 where: short stacking energy: -547.021 Base-Backbone interact. energy: -3.756 local terms energy: -657.091699 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -112.600 flat angles C4'-P-C4' energy: -173.750 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -111.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1583.819309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.819309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.819309 (E_RNA) where: Base-Base interactions energy: -965.028 where: short stacking energy: -450.014 Base-Backbone interact. energy: 1.300 local terms energy: -620.090640 where: bonds (distance) C4'-P energy: -146.839 bonds (distance) P-C4' energy: -160.549 flat angles C4'-P-C4' energy: -133.938 flat angles P-C4'-P energy: -94.882 tors. eta vs tors. theta energy: -83.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1420.759730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.759730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.759730 (E_RNA) where: Base-Base interactions energy: -873.894 where: short stacking energy: -434.673 Base-Backbone interact. energy: -1.065 local terms energy: -545.800226 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -143.095 flat angles C4'-P-C4' energy: -147.302 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -66.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -842.909838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.909838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.909838 (E_RNA) where: Base-Base interactions energy: -391.228 where: short stacking energy: -241.035 Base-Backbone interact. energy: 1.026 local terms energy: -452.707878 where: bonds (distance) C4'-P energy: -157.115 bonds (distance) P-C4' energy: -149.762 flat angles C4'-P-C4' energy: -99.030 flat angles P-C4'-P energy: -63.924 tors. eta vs tors. theta energy: 17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3094.853120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.853120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.853120 (E_RNA) where: Base-Base interactions energy: -2142.665 where: short stacking energy: -958.092 Base-Backbone interact. energy: -6.833 local terms energy: -945.354300 where: bonds (distance) C4'-P energy: -163.765 bonds (distance) P-C4' energy: -171.965 flat angles C4'-P-C4' energy: -209.246 flat angles P-C4'-P energy: -130.125 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: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2907.805437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.805437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.805437 (E_RNA) where: Base-Base interactions energy: -2001.408 where: short stacking energy: -901.567 Base-Backbone interact. energy: -1.286 local terms energy: -905.111149 where: bonds (distance) C4'-P energy: -169.387 bonds (distance) P-C4' energy: -164.471 flat angles C4'-P-C4' energy: -193.446 flat angles P-C4'-P energy: -132.719 tors. eta vs tors. theta energy: -245.089 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: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2797.990392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.990392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.990392 (E_RNA) where: Base-Base interactions energy: -1865.653 where: short stacking energy: -875.089 Base-Backbone interact. energy: -2.901 local terms energy: -929.436631 where: bonds (distance) C4'-P energy: -168.584 bonds (distance) P-C4' energy: -167.655 flat angles C4'-P-C4' energy: -202.730 flat angles P-C4'-P energy: -133.691 tors. eta vs tors. theta energy: -256.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2571.749885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.749885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.749885 (E_RNA) where: Base-Base interactions energy: -1724.241 where: short stacking energy: -794.399 Base-Backbone interact. energy: -1.191 local terms energy: -846.317383 where: bonds (distance) C4'-P energy: -153.912 bonds (distance) P-C4' energy: -169.074 flat angles C4'-P-C4' energy: -187.623 flat angles P-C4'-P energy: -132.123 tors. eta vs tors. theta energy: -203.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2488.348864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.348864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.348864 (E_RNA) where: Base-Base interactions energy: -1683.903 where: short stacking energy: -771.443 Base-Backbone interact. energy: 2.559 local terms energy: -807.004755 where: bonds (distance) C4'-P energy: -160.544 bonds (distance) P-C4' energy: -153.089 flat angles C4'-P-C4' energy: -164.289 flat angles P-C4'-P energy: -119.398 tors. eta vs tors. theta energy: -209.685 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: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2205.651753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.651753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.651753 (E_RNA) where: Base-Base interactions energy: -1485.358 where: short stacking energy: -618.799 Base-Backbone interact. energy: -4.332 local terms energy: -715.962420 where: bonds (distance) C4'-P energy: -140.802 bonds (distance) P-C4' energy: -157.391 flat angles C4'-P-C4' energy: -165.058 flat angles P-C4'-P energy: -101.100 tors. eta vs tors. theta energy: -151.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1916.525682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.525682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.525682 (E_RNA) where: Base-Base interactions energy: -1217.153 where: short stacking energy: -556.444 Base-Backbone interact. energy: 1.673 local terms energy: -701.045824 where: bonds (distance) C4'-P energy: -153.905 bonds (distance) P-C4' energy: -152.390 flat angles C4'-P-C4' energy: -156.212 flat angles P-C4'-P energy: -104.674 tors. eta vs tors. theta energy: -133.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1595.652007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.652007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.652007 (E_RNA) where: Base-Base interactions energy: -968.610 where: short stacking energy: -491.727 Base-Backbone interact. energy: 3.088 local terms energy: -630.130074 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -156.566 flat angles C4'-P-C4' energy: -140.734 flat angles P-C4'-P energy: -107.261 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1309.449445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.449445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.449445 (E_RNA) where: Base-Base interactions energy: -734.264 where: short stacking energy: -389.206 Base-Backbone interact. energy: 1.648 local terms energy: -576.833683 where: bonds (distance) C4'-P energy: -138.538 bonds (distance) P-C4' energy: -172.145 flat angles C4'-P-C4' energy: -137.919 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -49.765 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: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -873.029662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.029662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.029662 (E_RNA) where: Base-Base interactions energy: -398.053 where: short stacking energy: -217.078 Base-Backbone interact. energy: 3.602 local terms energy: -478.578530 where: bonds (distance) C4'-P energy: -159.927 bonds (distance) P-C4' energy: -134.842 flat angles C4'-P-C4' energy: -132.362 flat angles P-C4'-P energy: -76.063 tors. eta vs tors. theta energy: 24.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3094.518574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.518574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.518574 (E_RNA) where: Base-Base interactions energy: -2153.646 where: short stacking energy: -935.087 Base-Backbone interact. energy: -3.489 local terms energy: -937.383747 where: bonds (distance) C4'-P energy: -162.743 bonds (distance) P-C4' energy: -184.620 flat angles C4'-P-C4' energy: -202.813 flat angles P-C4'-P energy: -125.902 tors. eta vs tors. theta energy: -261.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2947.343379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.343379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.343379 (E_RNA) where: Base-Base interactions energy: -2006.251 where: short stacking energy: -893.327 Base-Backbone interact. energy: -3.956 local terms energy: -937.136247 where: bonds (distance) C4'-P energy: -153.895 bonds (distance) P-C4' energy: -180.604 flat angles C4'-P-C4' energy: -202.671 flat angles P-C4'-P energy: -134.486 tors. eta vs tors. theta energy: -265.481 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: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2804.780324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.780324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.780324 (E_RNA) where: Base-Base interactions energy: -1873.261 where: short stacking energy: -863.574 Base-Backbone interact. energy: -3.060 local terms energy: -928.458553 where: bonds (distance) C4'-P energy: -174.877 bonds (distance) P-C4' energy: -185.785 flat angles C4'-P-C4' energy: -200.864 flat angles P-C4'-P energy: -111.053 tors. eta vs tors. theta energy: -255.879 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: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2597.894152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.894152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.894152 (E_RNA) where: Base-Base interactions energy: -1747.844 where: short stacking energy: -781.803 Base-Backbone interact. energy: 6.028 local terms energy: -856.078669 where: bonds (distance) C4'-P energy: -148.713 bonds (distance) P-C4' energy: -172.379 flat angles C4'-P-C4' energy: -194.949 flat angles P-C4'-P energy: -122.037 tors. eta vs tors. theta energy: -218.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2482.199759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.199759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.199759 (E_RNA) where: Base-Base interactions energy: -1635.962 where: short stacking energy: -742.145 Base-Backbone interact. energy: -4.119 local terms energy: -842.118539 where: bonds (distance) C4'-P energy: -169.393 bonds (distance) P-C4' energy: -165.005 flat angles C4'-P-C4' energy: -193.520 flat angles P-C4'-P energy: -104.561 tors. eta vs tors. theta energy: -209.641 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: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2255.853186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.853186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.853186 (E_RNA) where: Base-Base interactions energy: -1540.469 where: short stacking energy: -633.845 Base-Backbone interact. energy: -0.890 local terms energy: -714.493732 where: bonds (distance) C4'-P energy: -137.347 bonds (distance) P-C4' energy: -161.655 flat angles C4'-P-C4' energy: -166.903 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: -162.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1823.080066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.080066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.080066 (E_RNA) where: Base-Base interactions energy: -1192.890 where: short stacking energy: -569.566 Base-Backbone interact. energy: -1.529 local terms energy: -628.660419 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -143.282 flat angles P-C4'-P energy: -79.444 tors. eta vs tors. theta energy: -113.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1603.984239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.984239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.984239 (E_RNA) where: Base-Base interactions energy: -984.411 where: short stacking energy: -464.830 Base-Backbone interact. energy: 8.844 local terms energy: -628.416842 where: bonds (distance) C4'-P energy: -131.311 bonds (distance) P-C4' energy: -152.195 flat angles C4'-P-C4' energy: -147.747 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -100.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1272.683147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.683147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.683147 (E_RNA) where: Base-Base interactions energy: -753.750 where: short stacking energy: -382.973 Base-Backbone interact. energy: 14.734 local terms energy: -533.666453 where: bonds (distance) C4'-P energy: -135.216 bonds (distance) P-C4' energy: -159.321 flat angles C4'-P-C4' energy: -135.727 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -39.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -970.093128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.093128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.093128 (E_RNA) where: Base-Base interactions energy: -515.055 where: short stacking energy: -257.341 Base-Backbone interact. energy: 6.737 local terms energy: -461.774755 where: bonds (distance) C4'-P energy: -137.245 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -103.115 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: 0.452 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: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3098.633762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.633762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.633762 (E_RNA) where: Base-Base interactions energy: -2103.515 where: short stacking energy: -922.638 Base-Backbone interact. energy: -6.472 local terms energy: -988.646338 where: bonds (distance) C4'-P energy: -188.123 bonds (distance) P-C4' energy: -180.066 flat angles C4'-P-C4' energy: -212.921 flat angles P-C4'-P energy: -143.858 tors. eta vs tors. theta energy: -263.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2935.382798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.382798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.382798 (E_RNA) where: Base-Base interactions energy: -1993.297 where: short stacking energy: -878.078 Base-Backbone interact. energy: -0.994 local terms energy: -941.091697 where: bonds (distance) C4'-P energy: -185.513 bonds (distance) P-C4' energy: -175.023 flat angles C4'-P-C4' energy: -193.408 flat angles P-C4'-P energy: -139.395 tors. eta vs tors. theta energy: -247.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2817.835831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.835831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.835831 (E_RNA) where: Base-Base interactions energy: -1917.316 where: short stacking energy: -876.946 Base-Backbone interact. energy: -4.661 local terms energy: -895.858773 where: bonds (distance) C4'-P energy: -152.048 bonds (distance) P-C4' energy: -169.975 flat angles C4'-P-C4' energy: -188.060 flat angles P-C4'-P energy: -140.086 tors. eta vs tors. theta energy: -245.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2541.360297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.360297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.360297 (E_RNA) where: Base-Base interactions energy: -1701.890 where: short stacking energy: -761.060 Base-Backbone interact. energy: -1.694 local terms energy: -837.776886 where: bonds (distance) C4'-P energy: -182.644 bonds (distance) P-C4' energy: -157.527 flat angles C4'-P-C4' energy: -180.299 flat angles P-C4'-P energy: -112.403 tors. eta vs tors. theta energy: -204.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2503.347130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.347130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.347130 (E_RNA) where: Base-Base interactions energy: -1701.945 where: short stacking energy: -761.337 Base-Backbone interact. energy: -3.152 local terms energy: -798.250649 where: bonds (distance) C4'-P energy: -154.987 bonds (distance) P-C4' energy: -152.758 flat angles C4'-P-C4' energy: -170.352 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -203.961 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: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2256.110903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.110903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.110903 (E_RNA) where: Base-Base interactions energy: -1523.014 where: short stacking energy: -649.564 Base-Backbone interact. energy: -2.882 local terms energy: -730.215134 where: bonds (distance) C4'-P energy: -161.746 bonds (distance) P-C4' energy: -150.535 flat angles C4'-P-C4' energy: -170.146 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -143.089 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: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1759.612199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.612199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.612199 (E_RNA) where: Base-Base interactions energy: -1091.472 where: short stacking energy: -524.520 Base-Backbone interact. energy: -1.007 local terms energy: -667.133430 where: bonds (distance) C4'-P energy: -166.539 bonds (distance) P-C4' energy: -145.914 flat angles C4'-P-C4' energy: -139.419 flat angles P-C4'-P energy: -96.885 tors. eta vs tors. theta energy: -118.376 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: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1697.018286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.018286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.018286 (E_RNA) where: Base-Base interactions energy: -1055.843 where: short stacking energy: -497.215 Base-Backbone interact. energy: -1.885 local terms energy: -639.289699 where: bonds (distance) C4'-P energy: -140.184 bonds (distance) P-C4' energy: -146.451 flat angles C4'-P-C4' energy: -148.495 flat angles P-C4'-P energy: -108.156 tors. eta vs tors. theta energy: -96.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1275.325502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.325502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.325502 (E_RNA) where: Base-Base interactions energy: -721.301 where: short stacking energy: -363.483 Base-Backbone interact. energy: 0.802 local terms energy: -554.827160 where: bonds (distance) C4'-P energy: -151.376 bonds (distance) P-C4' energy: -143.584 flat angles C4'-P-C4' energy: -145.735 flat angles P-C4'-P energy: -87.376 tors. eta vs tors. theta energy: -26.756 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: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -894.177375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.177375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.177375 (E_RNA) where: Base-Base interactions energy: -442.360 where: short stacking energy: -260.186 Base-Backbone interact. energy: 0.523 local terms energy: -452.339605 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -144.806 flat angles C4'-P-C4' energy: -112.938 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: 25.252 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: 291 Temperature: 0.900000 Total energy: -3108.729563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.729563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.729563 (E_RNA) where: Base-Base interactions energy: -2114.751 where: short stacking energy: -945.796 Base-Backbone interact. energy: -4.103 local terms energy: -989.874666 where: bonds (distance) C4'-P energy: -192.117 bonds (distance) P-C4' energy: -183.090 flat angles C4'-P-C4' energy: -211.675 flat angles P-C4'-P energy: -143.486 tors. eta vs tors. theta energy: -259.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2997.491139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.491139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.491139 (E_RNA) where: Base-Base interactions energy: -2029.350 where: short stacking energy: -899.181 Base-Backbone interact. energy: -2.640 local terms energy: -965.500685 where: bonds (distance) C4'-P energy: -180.713 bonds (distance) P-C4' energy: -189.696 flat angles C4'-P-C4' energy: -212.705 flat angles P-C4'-P energy: -124.196 tors. eta vs tors. theta energy: -258.190 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: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2814.435186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.435186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.435186 (E_RNA) where: Base-Base interactions energy: -1896.322 where: short stacking energy: -868.527 Base-Backbone interact. energy: -3.721 local terms energy: -914.393016 where: bonds (distance) C4'-P energy: -171.821 bonds (distance) P-C4' energy: -166.006 flat angles C4'-P-C4' energy: -195.235 flat angles P-C4'-P energy: -129.299 tors. eta vs tors. theta energy: -252.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2589.419852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.419852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.419852 (E_RNA) where: Base-Base interactions energy: -1739.787 where: short stacking energy: -783.370 Base-Backbone interact. energy: -0.503 local terms energy: -849.130314 where: bonds (distance) C4'-P energy: -170.276 bonds (distance) P-C4' energy: -159.158 flat angles C4'-P-C4' energy: -181.239 flat angles P-C4'-P energy: -128.607 tors. eta vs tors. theta energy: -209.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2469.540132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.540132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.540132 (E_RNA) where: Base-Base interactions energy: -1687.636 where: short stacking energy: -777.877 Base-Backbone interact. energy: -2.943 local terms energy: -778.961276 where: bonds (distance) C4'-P energy: -148.351 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -175.747 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -190.430 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: 291 Temperature: 1.150000 Total energy: -2240.645611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.645611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.645611 (E_RNA) where: Base-Base interactions energy: -1519.041 where: short stacking energy: -676.057 Base-Backbone interact. energy: -1.921 local terms energy: -719.683069 where: bonds (distance) C4'-P energy: -159.113 bonds (distance) P-C4' energy: -133.228 flat angles C4'-P-C4' energy: -178.666 flat angles P-C4'-P energy: -102.730 tors. eta vs tors. theta energy: -145.947 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: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1819.523715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.523715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.523715 (E_RNA) where: Base-Base interactions energy: -1169.024 where: short stacking energy: -541.989 Base-Backbone interact. energy: -3.584 local terms energy: -646.916237 where: bonds (distance) C4'-P energy: -136.571 bonds (distance) P-C4' energy: -145.225 flat angles C4'-P-C4' energy: -150.750 flat angles P-C4'-P energy: -109.105 tors. eta vs tors. theta energy: -105.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1715.409157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.409157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.409157 (E_RNA) where: Base-Base interactions energy: -1076.296 where: short stacking energy: -526.125 Base-Backbone interact. energy: -1.296 local terms energy: -637.817137 where: bonds (distance) C4'-P energy: -169.740 bonds (distance) P-C4' energy: -134.366 flat angles C4'-P-C4' energy: -164.207 flat angles P-C4'-P energy: -73.879 tors. eta vs tors. theta energy: -95.625 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: 291 Temperature: 1.300000 Total energy: -1234.820778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.820778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.820778 (E_RNA) where: Base-Base interactions energy: -747.430 where: short stacking energy: -357.217 Base-Backbone interact. energy: 5.075 local terms energy: -492.465886 where: bonds (distance) C4'-P energy: -148.920 bonds (distance) P-C4' energy: -138.149 flat angles C4'-P-C4' energy: -127.544 flat angles P-C4'-P energy: -66.066 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -901.154542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.154542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.154542 (E_RNA) where: Base-Base interactions energy: -398.554 where: short stacking energy: -220.281 Base-Backbone interact. energy: 5.853 local terms energy: -508.452776 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -167.048 flat angles C4'-P-C4' energy: -125.868 flat angles P-C4'-P energy: -85.041 tors. eta vs tors. theta energy: 23.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3092.661941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.661941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.661941 (E_RNA) where: Base-Base interactions energy: -2119.616 where: short stacking energy: -928.632 Base-Backbone interact. energy: -3.485 local terms energy: -969.560583 where: bonds (distance) C4'-P energy: -183.538 bonds (distance) P-C4' energy: -185.550 flat angles C4'-P-C4' energy: -203.209 flat angles P-C4'-P energy: -143.922 tors. eta vs tors. theta energy: -253.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2960.738552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.738552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.738552 (E_RNA) where: Base-Base interactions energy: -2020.840 where: short stacking energy: -885.418 Base-Backbone interact. energy: -2.710 local terms energy: -937.188549 where: bonds (distance) C4'-P energy: -169.322 bonds (distance) P-C4' energy: -168.665 flat angles C4'-P-C4' energy: -209.711 flat angles P-C4'-P energy: -130.200 tors. eta vs tors. theta energy: -259.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2815.114475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.114475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.114475 (E_RNA) where: Base-Base interactions energy: -1899.342 where: short stacking energy: -870.460 Base-Backbone interact. energy: -3.217 local terms energy: -912.554889 where: bonds (distance) C4'-P energy: -149.518 bonds (distance) P-C4' energy: -174.914 flat angles C4'-P-C4' energy: -198.364 flat angles P-C4'-P energy: -133.960 tors. eta vs tors. theta energy: -255.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2573.332424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.332424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.332424 (E_RNA) where: Base-Base interactions energy: -1731.846 where: short stacking energy: -732.940 Base-Backbone interact. energy: -0.616 local terms energy: -840.869838 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -187.688 flat angles C4'-P-C4' energy: -187.527 flat angles P-C4'-P energy: -130.614 tors. eta vs tors. theta energy: -188.109 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: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2523.894540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.894540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.894540 (E_RNA) where: Base-Base interactions energy: -1716.430 where: short stacking energy: -775.921 Base-Backbone interact. energy: 8.384 local terms energy: -815.847753 where: bonds (distance) C4'-P energy: -156.262 bonds (distance) P-C4' energy: -148.067 flat angles C4'-P-C4' energy: -182.575 flat angles P-C4'-P energy: -120.798 tors. eta vs tors. theta energy: -208.146 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: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2271.963411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.963411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.963411 (E_RNA) where: Base-Base interactions energy: -1550.970 where: short stacking energy: -687.481 Base-Backbone interact. energy: -2.507 local terms energy: -718.486424 where: bonds (distance) C4'-P energy: -147.789 bonds (distance) P-C4' energy: -151.216 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -176.089 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: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1883.792396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.792396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.792396 (E_RNA) where: Base-Base interactions energy: -1234.226 where: short stacking energy: -578.609 Base-Backbone interact. energy: -2.679 local terms energy: -646.887802 where: bonds (distance) C4'-P energy: -98.923 bonds (distance) P-C4' energy: -142.420 flat angles C4'-P-C4' energy: -169.389 flat angles P-C4'-P energy: -116.661 tors. eta vs tors. theta energy: -119.495 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: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1663.188868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.188868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.188868 (E_RNA) where: Base-Base interactions energy: -1063.587 where: short stacking energy: -470.109 Base-Backbone interact. energy: 0.987 local terms energy: -600.588096 where: bonds (distance) C4'-P energy: -144.387 bonds (distance) P-C4' energy: -147.780 flat angles C4'-P-C4' energy: -140.221 flat angles P-C4'-P energy: -94.752 tors. eta vs tors. theta energy: -73.448 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1259.834068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.834068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.834068 (E_RNA) where: Base-Base interactions energy: -687.937 where: short stacking energy: -369.286 Base-Backbone interact. energy: 2.059 local terms energy: -573.956664 where: bonds (distance) C4'-P energy: -135.427 bonds (distance) P-C4' energy: -156.825 flat angles C4'-P-C4' energy: -129.217 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -62.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -914.628220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.628220 (E_RNA) where: Base-Base interactions energy: -455.511 where: short stacking energy: -274.619 Base-Backbone interact. energy: 0.847 local terms energy: -459.964760 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -121.223 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: 2.258 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: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3080.437738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.437738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.437738 (E_RNA) where: Base-Base interactions energy: -2090.788 where: short stacking energy: -897.863 Base-Backbone interact. energy: -3.439 local terms energy: -986.210780 where: bonds (distance) C4'-P energy: -188.702 bonds (distance) P-C4' energy: -189.025 flat angles C4'-P-C4' energy: -214.870 flat angles P-C4'-P energy: -140.400 tors. eta vs tors. theta energy: -253.215 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2951.863677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.863677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.863677 (E_RNA) where: Base-Base interactions energy: -2027.746 where: short stacking energy: -875.558 Base-Backbone interact. energy: -1.562 local terms energy: -922.555379 where: bonds (distance) C4'-P energy: -166.593 bonds (distance) P-C4' energy: -175.603 flat angles C4'-P-C4' energy: -201.256 flat angles P-C4'-P energy: -132.304 tors. eta vs tors. theta energy: -246.800 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2835.064186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.064186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.064186 (E_RNA) where: Base-Base interactions energy: -1906.020 where: short stacking energy: -863.304 Base-Backbone interact. energy: -1.471 local terms energy: -927.573477 where: bonds (distance) C4'-P energy: -163.641 bonds (distance) P-C4' energy: -178.223 flat angles C4'-P-C4' energy: -194.609 flat angles P-C4'-P energy: -137.036 tors. eta vs tors. theta energy: -254.064 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: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2582.402409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.402409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.402409 (E_RNA) where: Base-Base interactions energy: -1724.657 where: short stacking energy: -760.832 Base-Backbone interact. energy: -1.912 local terms energy: -855.833695 where: bonds (distance) C4'-P energy: -166.106 bonds (distance) P-C4' energy: -167.838 flat angles C4'-P-C4' energy: -189.000 flat angles P-C4'-P energy: -119.024 tors. eta vs tors. theta energy: -213.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2461.081081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.081081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.081081 (E_RNA) where: Base-Base interactions energy: -1652.728 where: short stacking energy: -745.847 Base-Backbone interact. energy: -0.369 local terms energy: -807.984132 where: bonds (distance) C4'-P energy: -156.726 bonds (distance) P-C4' energy: -143.965 flat angles C4'-P-C4' energy: -185.597 flat angles P-C4'-P energy: -121.487 tors. eta vs tors. theta energy: -200.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2185.388049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.388049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.388049 (E_RNA) where: Base-Base interactions energy: -1457.227 where: short stacking energy: -635.753 Base-Backbone interact. energy: -0.446 local terms energy: -727.715121 where: bonds (distance) C4'-P energy: -144.380 bonds (distance) P-C4' energy: -163.776 flat angles C4'-P-C4' energy: -152.413 flat angles P-C4'-P energy: -113.839 tors. eta vs tors. theta energy: -153.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1870.176628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.176628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.176628 (E_RNA) where: Base-Base interactions energy: -1186.266 where: short stacking energy: -554.569 Base-Backbone interact. energy: 4.361 local terms energy: -688.271827 where: bonds (distance) C4'-P energy: -160.325 bonds (distance) P-C4' energy: -151.372 flat angles C4'-P-C4' energy: -160.416 flat angles P-C4'-P energy: -95.452 tors. eta vs tors. theta energy: -120.708 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1751.311827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.311827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.311827 (E_RNA) where: Base-Base interactions energy: -1105.931 where: short stacking energy: -513.181 Base-Backbone interact. energy: 0.361 local terms energy: -645.742044 where: bonds (distance) C4'-P energy: -139.725 bonds (distance) P-C4' energy: -161.267 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -107.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1291.931771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.931771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.931771 (E_RNA) where: Base-Base interactions energy: -746.227 where: short stacking energy: -376.692 Base-Backbone interact. energy: 6.334 local terms energy: -552.039075 where: bonds (distance) C4'-P energy: -144.269 bonds (distance) P-C4' energy: -146.716 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -29.796 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: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -852.184890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.184890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.184890 (E_RNA) where: Base-Base interactions energy: -394.286 where: short stacking energy: -226.138 Base-Backbone interact. energy: -2.682 local terms energy: -455.216964 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -138.880 flat angles C4'-P-C4' energy: -129.603 flat angles P-C4'-P energy: -94.871 tors. eta vs tors. theta energy: 22.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3112.841395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.841395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.841395 (E_RNA) where: Base-Base interactions energy: -2159.249 where: short stacking energy: -964.250 Base-Backbone interact. energy: 0.639 local terms energy: -954.231849 where: bonds (distance) C4'-P energy: -176.403 bonds (distance) P-C4' energy: -173.678 flat angles C4'-P-C4' energy: -202.864 flat angles P-C4'-P energy: -134.342 tors. eta vs tors. theta energy: -266.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2934.334567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.334567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.334567 (E_RNA) where: Base-Base interactions energy: -2034.816 where: short stacking energy: -913.800 Base-Backbone interact. energy: -2.201 local terms energy: -897.317019 where: bonds (distance) C4'-P energy: -163.813 bonds (distance) P-C4' energy: -170.804 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -123.107 tors. eta vs tors. theta energy: -249.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2828.267717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.267717 (E_RNA) where: Base-Base interactions energy: -1895.907 where: short stacking energy: -860.443 Base-Backbone interact. energy: -1.203 local terms energy: -931.157438 where: bonds (distance) C4'-P energy: -152.407 bonds (distance) P-C4' energy: -189.449 flat angles C4'-P-C4' energy: -201.562 flat angles P-C4'-P energy: -129.460 tors. eta vs tors. theta energy: -258.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2663.530904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.530904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.530904 (E_RNA) where: Base-Base interactions energy: -1800.832 where: short stacking energy: -807.655 Base-Backbone interact. energy: 1.055 local terms energy: -863.753129 where: bonds (distance) C4'-P energy: -175.846 bonds (distance) P-C4' energy: -155.615 flat angles C4'-P-C4' energy: -194.273 flat angles P-C4'-P energy: -121.560 tors. eta vs tors. theta energy: -216.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2479.616882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.616882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.616882 (E_RNA) where: Base-Base interactions energy: -1671.624 where: short stacking energy: -756.741 Base-Backbone interact. energy: -1.594 local terms energy: -806.398191 where: bonds (distance) C4'-P energy: -155.589 bonds (distance) P-C4' energy: -158.132 flat angles C4'-P-C4' energy: -183.275 flat angles P-C4'-P energy: -109.946 tors. eta vs tors. theta energy: -199.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2185.797705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.797705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.797705 (E_RNA) where: Base-Base interactions energy: -1503.264 where: short stacking energy: -629.310 Base-Backbone interact. energy: -1.439 local terms energy: -681.094603 where: bonds (distance) C4'-P energy: -157.783 bonds (distance) P-C4' energy: -158.016 flat angles C4'-P-C4' energy: -141.254 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -130.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1868.140602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.140602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.140602 (E_RNA) where: Base-Base interactions energy: -1191.958 where: short stacking energy: -548.319 Base-Backbone interact. energy: -2.320 local terms energy: -673.862356 where: bonds (distance) C4'-P energy: -146.905 bonds (distance) P-C4' energy: -164.740 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -98.149 tors. eta vs tors. theta energy: -114.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1749.688486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.688486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.688486 (E_RNA) where: Base-Base interactions energy: -1124.159 where: short stacking energy: -522.503 Base-Backbone interact. energy: -1.291 local terms energy: -624.238292 where: bonds (distance) C4'-P energy: -127.270 bonds (distance) P-C4' energy: -149.471 flat angles C4'-P-C4' energy: -136.875 flat angles P-C4'-P energy: -108.529 tors. eta vs tors. theta energy: -102.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1325.966343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.966343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.966343 (E_RNA) where: Base-Base interactions energy: -749.767 where: short stacking energy: -387.335 Base-Backbone interact. energy: -0.738 local terms energy: -575.461525 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -175.749 flat angles C4'-P-C4' energy: -134.740 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -40.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -868.131268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.131268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.131268 (E_RNA) where: Base-Base interactions energy: -407.889 where: short stacking energy: -263.716 Base-Backbone interact. energy: 3.040 local terms energy: -463.282474 where: bonds (distance) C4'-P energy: -150.616 bonds (distance) P-C4' energy: -139.440 flat angles C4'-P-C4' energy: -104.478 flat angles P-C4'-P energy: -63.347 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3063.146817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.146817 (E_RNA) where: Base-Base interactions energy: -2117.471 where: short stacking energy: -944.030 Base-Backbone interact. energy: -5.528 local terms energy: -940.147966 where: bonds (distance) C4'-P energy: -179.489 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -206.257 flat angles P-C4'-P energy: -130.806 tors. eta vs tors. theta energy: -264.179 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: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2933.575827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.575827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.575827 (E_RNA) where: Base-Base interactions energy: -2027.852 where: short stacking energy: -901.688 Base-Backbone interact. energy: -0.925 local terms energy: -904.798919 where: bonds (distance) C4'-P energy: -146.391 bonds (distance) P-C4' energy: -184.848 flat angles C4'-P-C4' energy: -205.450 flat angles P-C4'-P energy: -125.571 tors. eta vs tors. theta energy: -242.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2752.937290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.937290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.937290 (E_RNA) where: Base-Base interactions energy: -1864.877 where: short stacking energy: -816.829 Base-Backbone interact. energy: -2.427 local terms energy: -885.633095 where: bonds (distance) C4'-P energy: -162.005 bonds (distance) P-C4' energy: -168.655 flat angles C4'-P-C4' energy: -192.540 flat angles P-C4'-P energy: -116.582 tors. eta vs tors. theta energy: -245.851 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: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2672.970019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.970019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.970019 (E_RNA) where: Base-Base interactions energy: -1832.430 where: short stacking energy: -809.646 Base-Backbone interact. energy: -5.992 local terms energy: -834.547723 where: bonds (distance) C4'-P energy: -158.670 bonds (distance) P-C4' energy: -157.445 flat angles C4'-P-C4' energy: -178.128 flat angles P-C4'-P energy: -122.110 tors. eta vs tors. theta energy: -218.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2472.286861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.286861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.286861 (E_RNA) where: Base-Base interactions energy: -1650.876 where: short stacking energy: -769.428 Base-Backbone interact. energy: -0.648 local terms energy: -820.762611 where: bonds (distance) C4'-P energy: -157.267 bonds (distance) P-C4' energy: -152.361 flat angles C4'-P-C4' energy: -186.216 flat angles P-C4'-P energy: -121.626 tors. eta vs tors. theta energy: -203.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2229.018145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.018145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.018145 (E_RNA) where: Base-Base interactions energy: -1509.307 where: short stacking energy: -654.025 Base-Backbone interact. energy: 1.328 local terms energy: -721.039419 where: bonds (distance) C4'-P energy: -155.777 bonds (distance) P-C4' energy: -142.915 flat angles C4'-P-C4' energy: -145.534 flat angles P-C4'-P energy: -123.178 tors. eta vs tors. theta energy: -153.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1798.387501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.387501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.387501 (E_RNA) where: Base-Base interactions energy: -1165.767 where: short stacking energy: -528.280 Base-Backbone interact. energy: 3.403 local terms energy: -636.023287 where: bonds (distance) C4'-P energy: -118.291 bonds (distance) P-C4' energy: -166.309 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -80.980 tors. eta vs tors. theta energy: -115.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1744.691422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.691422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.691422 (E_RNA) where: Base-Base interactions energy: -1117.773 where: short stacking energy: -511.859 Base-Backbone interact. energy: 8.197 local terms energy: -635.115265 where: bonds (distance) C4'-P energy: -136.526 bonds (distance) P-C4' energy: -150.714 flat angles C4'-P-C4' energy: -160.092 flat angles P-C4'-P energy: -91.326 tors. eta vs tors. theta energy: -96.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1110.354056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.354056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.354056 (E_RNA) where: Base-Base interactions energy: -609.107 where: short stacking energy: -324.497 Base-Backbone interact. energy: 5.258 local terms energy: -506.505332 where: bonds (distance) C4'-P energy: -135.651 bonds (distance) P-C4' energy: -153.567 flat angles C4'-P-C4' energy: -132.291 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -10.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -895.289637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.289637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.289637 (E_RNA) where: Base-Base interactions energy: -429.077 where: short stacking energy: -254.581 Base-Backbone interact. energy: -0.909 local terms energy: -465.303508 where: bonds (distance) C4'-P energy: -128.805 bonds (distance) P-C4' energy: -142.997 flat angles C4'-P-C4' energy: -136.655 flat angles P-C4'-P energy: -67.170 tors. eta vs tors. theta energy: 10.324 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: 296 Temperature: 0.900000 Total energy: -3126.946685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.946685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.946685 (E_RNA) where: Base-Base interactions energy: -2129.760 where: short stacking energy: -958.897 Base-Backbone interact. energy: -2.299 local terms energy: -994.888040 where: bonds (distance) C4'-P energy: -182.182 bonds (distance) P-C4' energy: -188.983 flat angles C4'-P-C4' energy: -209.046 flat angles P-C4'-P energy: -147.635 tors. eta vs tors. theta energy: -267.043 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: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2962.059928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.059928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.059928 (E_RNA) where: Base-Base interactions energy: -2005.415 where: short stacking energy: -888.482 Base-Backbone interact. energy: -2.364 local terms energy: -954.280714 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -177.040 flat angles C4'-P-C4' energy: -202.315 flat angles P-C4'-P energy: -145.466 tors. eta vs tors. theta energy: -252.455 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: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2768.934708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.934708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.934708 (E_RNA) where: Base-Base interactions energy: -1870.910 where: short stacking energy: -858.245 Base-Backbone interact. energy: -1.163 local terms energy: -896.861027 where: bonds (distance) C4'-P energy: -168.627 bonds (distance) P-C4' energy: -154.846 flat angles C4'-P-C4' energy: -207.226 flat angles P-C4'-P energy: -124.832 tors. eta vs tors. theta energy: -241.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2743.024835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.024835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.024835 (E_RNA) where: Base-Base interactions energy: -1855.439 where: short stacking energy: -855.421 Base-Backbone interact. energy: -3.928 local terms energy: -883.657585 where: bonds (distance) C4'-P energy: -164.524 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -193.312 flat angles P-C4'-P energy: -121.487 tors. eta vs tors. theta energy: -236.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2480.198674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.198674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.198674 (E_RNA) where: Base-Base interactions energy: -1635.734 where: short stacking energy: -728.713 Base-Backbone interact. energy: 4.293 local terms energy: -848.757638 where: bonds (distance) C4'-P energy: -184.423 bonds (distance) P-C4' energy: -170.228 flat angles C4'-P-C4' energy: -165.074 flat angles P-C4'-P energy: -120.508 tors. eta vs tors. theta energy: -208.525 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: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2191.035175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.035175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.035175 (E_RNA) where: Base-Base interactions energy: -1471.860 where: short stacking energy: -631.403 Base-Backbone interact. energy: -3.034 local terms energy: -716.141392 where: bonds (distance) C4'-P energy: -158.853 bonds (distance) P-C4' energy: -143.442 flat angles C4'-P-C4' energy: -175.833 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -122.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1903.603791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.603791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.603791 (E_RNA) where: Base-Base interactions energy: -1251.572 where: short stacking energy: -521.046 Base-Backbone interact. energy: -4.731 local terms energy: -647.300751 where: bonds (distance) C4'-P energy: -144.519 bonds (distance) P-C4' energy: -160.989 flat angles C4'-P-C4' energy: -143.400 flat angles P-C4'-P energy: -92.315 tors. eta vs tors. theta energy: -106.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1680.566985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.566985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.566985 (E_RNA) where: Base-Base interactions energy: -1031.734 where: short stacking energy: -470.982 Base-Backbone interact. energy: -1.879 local terms energy: -646.954276 where: bonds (distance) C4'-P energy: -160.912 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -154.352 flat angles P-C4'-P energy: -100.366 tors. eta vs tors. theta energy: -87.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1135.994236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.994236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.994236 (E_RNA) where: Base-Base interactions energy: -645.653 where: short stacking energy: -333.516 Base-Backbone interact. energy: 6.878 local terms energy: -497.219669 where: bonds (distance) C4'-P energy: -145.896 bonds (distance) P-C4' energy: -128.995 flat angles C4'-P-C4' energy: -132.193 flat angles P-C4'-P energy: -90.967 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -890.455918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.455918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.455918 (E_RNA) where: Base-Base interactions energy: -398.931 where: short stacking energy: -234.589 Base-Backbone interact. energy: 3.623 local terms energy: -495.147809 where: bonds (distance) C4'-P energy: -154.720 bonds (distance) P-C4' energy: -155.102 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: 9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3110.058804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.058804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.058804 (E_RNA) where: Base-Base interactions energy: -2129.887 where: short stacking energy: -955.498 Base-Backbone interact. energy: -4.071 local terms energy: -976.100860 where: bonds (distance) C4'-P energy: -173.604 bonds (distance) P-C4' energy: -175.788 flat angles C4'-P-C4' energy: -213.757 flat angles P-C4'-P energy: -141.387 tors. eta vs tors. theta energy: -271.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2982.296552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.296552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.296552 (E_RNA) where: Base-Base interactions energy: -2046.106 where: short stacking energy: -898.476 Base-Backbone interact. energy: -2.269 local terms energy: -933.921713 where: bonds (distance) C4'-P energy: -161.749 bonds (distance) P-C4' energy: -183.250 flat angles C4'-P-C4' energy: -217.950 flat angles P-C4'-P energy: -114.126 tors. eta vs tors. theta energy: -256.846 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: 297 Temperature: 1.000000 Total energy: -2793.679307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.679307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.679307 (E_RNA) where: Base-Base interactions energy: -1890.211 where: short stacking energy: -877.483 Base-Backbone interact. energy: -1.393 local terms energy: -902.075897 where: bonds (distance) C4'-P energy: -163.190 bonds (distance) P-C4' energy: -167.878 flat angles C4'-P-C4' energy: -199.478 flat angles P-C4'-P energy: -126.821 tors. eta vs tors. theta energy: -244.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2695.003564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.003564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.003564 (E_RNA) where: Base-Base interactions energy: -1837.508 where: short stacking energy: -830.493 Base-Backbone interact. energy: 0.147 local terms energy: -857.642792 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -169.752 flat angles C4'-P-C4' energy: -186.330 flat angles P-C4'-P energy: -131.512 tors. eta vs tors. theta energy: -229.145 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: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2418.005954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.005954 (E_RNA) where: Base-Base interactions energy: -1627.487 where: short stacking energy: -723.872 Base-Backbone interact. energy: -2.195 local terms energy: -788.323963 where: bonds (distance) C4'-P energy: -168.007 bonds (distance) P-C4' energy: -179.215 flat angles C4'-P-C4' energy: -160.495 flat angles P-C4'-P energy: -99.093 tors. eta vs tors. theta energy: -181.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2173.009528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.009528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.009528 (E_RNA) where: Base-Base interactions energy: -1423.182 where: short stacking energy: -596.838 Base-Backbone interact. energy: 0.357 local terms energy: -750.184193 where: bonds (distance) C4'-P energy: -145.601 bonds (distance) P-C4' energy: -186.906 flat angles C4'-P-C4' energy: -165.735 flat angles P-C4'-P energy: -112.699 tors. eta vs tors. theta energy: -139.243 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: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1943.492913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.492913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.492913 (E_RNA) where: Base-Base interactions energy: -1235.336 where: short stacking energy: -548.438 Base-Backbone interact. energy: -1.351 local terms energy: -706.805779 where: bonds (distance) C4'-P energy: -170.795 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -170.632 flat angles P-C4'-P energy: -98.518 tors. eta vs tors. theta energy: -120.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1717.890334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.890334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.890334 (E_RNA) where: Base-Base interactions energy: -1080.228 where: short stacking energy: -516.459 Base-Backbone interact. energy: -1.179 local terms energy: -636.483912 where: bonds (distance) C4'-P energy: -149.312 bonds (distance) P-C4' energy: -157.820 flat angles C4'-P-C4' energy: -146.887 flat angles P-C4'-P energy: -84.315 tors. eta vs tors. theta energy: -98.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1142.061989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.061989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.061989 (E_RNA) where: Base-Base interactions energy: -606.057 where: short stacking energy: -317.780 Base-Backbone interact. energy: 4.511 local terms energy: -540.515623 where: bonds (distance) C4'-P energy: -142.264 bonds (distance) P-C4' energy: -155.375 flat angles C4'-P-C4' energy: -126.883 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -29.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -908.350048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.350048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.350048 (E_RNA) where: Base-Base interactions energy: -446.214 where: short stacking energy: -265.880 Base-Backbone interact. energy: 4.445 local terms energy: -466.581067 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -134.208 flat angles P-C4'-P energy: -76.506 tors. eta vs tors. theta energy: 14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3076.554160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.554160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.554160 (E_RNA) where: Base-Base interactions energy: -2089.122 where: short stacking energy: -927.157 Base-Backbone interact. energy: -2.548 local terms energy: -984.884986 where: bonds (distance) C4'-P energy: -194.892 bonds (distance) P-C4' energy: -171.039 flat angles C4'-P-C4' energy: -218.936 flat angles P-C4'-P energy: -142.458 tors. eta vs tors. theta energy: -257.560 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: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2945.672894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.672894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.672894 (E_RNA) where: Base-Base interactions energy: -2024.698 where: short stacking energy: -886.548 Base-Backbone interact. energy: -3.394 local terms energy: -917.581267 where: bonds (distance) C4'-P energy: -163.233 bonds (distance) P-C4' energy: -168.932 flat angles C4'-P-C4' energy: -199.378 flat angles P-C4'-P energy: -133.247 tors. eta vs tors. theta energy: -252.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2801.403074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.403074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.403074 (E_RNA) where: Base-Base interactions energy: -1896.584 where: short stacking energy: -877.830 Base-Backbone interact. energy: 1.981 local terms energy: -906.800499 where: bonds (distance) C4'-P energy: -154.989 bonds (distance) P-C4' energy: -175.091 flat angles C4'-P-C4' energy: -181.011 flat angles P-C4'-P energy: -138.432 tors. eta vs tors. theta energy: -257.278 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: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2661.372587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.372587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.372587 (E_RNA) where: Base-Base interactions energy: -1786.881 where: short stacking energy: -793.857 Base-Backbone interact. energy: -0.119 local terms energy: -874.372295 where: bonds (distance) C4'-P energy: -167.702 bonds (distance) P-C4' energy: -173.904 flat angles C4'-P-C4' energy: -189.091 flat angles P-C4'-P energy: -120.548 tors. eta vs tors. theta energy: -223.128 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: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2452.411135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.411135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.411135 (E_RNA) where: Base-Base interactions energy: -1630.478 where: short stacking energy: -740.126 Base-Backbone interact. energy: 0.124 local terms energy: -822.056485 where: bonds (distance) C4'-P energy: -179.417 bonds (distance) P-C4' energy: -162.384 flat angles C4'-P-C4' energy: -187.091 flat angles P-C4'-P energy: -118.279 tors. eta vs tors. theta energy: -174.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2238.574279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.574279 (E_RNA) where: Base-Base interactions energy: -1495.981 where: short stacking energy: -632.878 Base-Backbone interact. energy: 2.987 local terms energy: -745.580428 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -125.799 tors. eta vs tors. theta energy: -149.950 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: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1912.322756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.322756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.322756 (E_RNA) where: Base-Base interactions energy: -1227.789 where: short stacking energy: -565.111 Base-Backbone interact. energy: 1.073 local terms energy: -685.606749 where: bonds (distance) C4'-P energy: -166.675 bonds (distance) P-C4' energy: -150.342 flat angles C4'-P-C4' energy: -165.869 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -120.580 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1686.822370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.822370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.822370 (E_RNA) where: Base-Base interactions energy: -1094.483 where: short stacking energy: -533.948 Base-Backbone interact. energy: -0.356 local terms energy: -591.984086 where: bonds (distance) C4'-P energy: -116.963 bonds (distance) P-C4' energy: -154.146 flat angles C4'-P-C4' energy: -131.212 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -95.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1128.124833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.124833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.124833 (E_RNA) where: Base-Base interactions energy: -624.403 where: short stacking energy: -351.135 Base-Backbone interact. energy: 0.203 local terms energy: -503.925267 where: bonds (distance) C4'-P energy: -136.642 bonds (distance) P-C4' energy: -138.062 flat angles C4'-P-C4' energy: -125.758 flat angles P-C4'-P energy: -76.187 tors. eta vs tors. theta energy: -27.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -954.798386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.798386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.798386 (E_RNA) where: Base-Base interactions energy: -488.667 where: short stacking energy: -284.755 Base-Backbone interact. energy: 4.534 local terms energy: -470.665240 where: bonds (distance) C4'-P energy: -107.190 bonds (distance) P-C4' energy: -159.757 flat angles C4'-P-C4' energy: -141.221 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3081.518168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.518168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.518168 (E_RNA) where: Base-Base interactions energy: -2112.681 where: short stacking energy: -958.476 Base-Backbone interact. energy: -3.897 local terms energy: -964.940442 where: bonds (distance) C4'-P energy: -160.303 bonds (distance) P-C4' energy: -162.237 flat angles C4'-P-C4' energy: -215.436 flat angles P-C4'-P energy: -157.427 tors. eta vs tors. theta energy: -269.536 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2964.382970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.382970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.382970 (E_RNA) where: Base-Base interactions energy: -2012.756 where: short stacking energy: -922.158 Base-Backbone interact. energy: 0.937 local terms energy: -952.564055 where: bonds (distance) C4'-P energy: -167.912 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -205.110 flat angles P-C4'-P energy: -143.300 tors. eta vs tors. theta energy: -265.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2764.132197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.132197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.132197 (E_RNA) where: Base-Base interactions energy: -1876.894 where: short stacking energy: -838.638 Base-Backbone interact. energy: -2.338 local terms energy: -884.900503 where: bonds (distance) C4'-P energy: -146.833 bonds (distance) P-C4' energy: -174.785 flat angles C4'-P-C4' energy: -199.532 flat angles P-C4'-P energy: -133.949 tors. eta vs tors. theta energy: -229.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2659.063687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.063687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.063687 (E_RNA) where: Base-Base interactions energy: -1806.745 where: short stacking energy: -810.445 Base-Backbone interact. energy: -2.767 local terms energy: -849.552133 where: bonds (distance) C4'-P energy: -146.110 bonds (distance) P-C4' energy: -173.807 flat angles C4'-P-C4' energy: -188.675 flat angles P-C4'-P energy: -122.087 tors. eta vs tors. theta energy: -218.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2442.968925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.968925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.968925 (E_RNA) where: Base-Base interactions energy: -1632.450 where: short stacking energy: -758.129 Base-Backbone interact. energy: 0.047 local terms energy: -810.565951 where: bonds (distance) C4'-P energy: -156.238 bonds (distance) P-C4' energy: -152.547 flat angles C4'-P-C4' energy: -180.358 flat angles P-C4'-P energy: -122.775 tors. eta vs tors. theta energy: -198.647 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: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2260.010478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.010478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.010478 (E_RNA) where: Base-Base interactions energy: -1485.697 where: short stacking energy: -652.332 Base-Backbone interact. energy: -4.731 local terms energy: -769.582365 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -166.678 flat angles C4'-P-C4' energy: -176.621 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -153.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1922.039250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.039250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.039250 (E_RNA) where: Base-Base interactions energy: -1274.328 where: short stacking energy: -541.457 Base-Backbone interact. energy: -0.493 local terms energy: -647.218444 where: bonds (distance) C4'-P energy: -123.069 bonds (distance) P-C4' energy: -156.930 flat angles C4'-P-C4' energy: -159.848 flat angles P-C4'-P energy: -84.394 tors. eta vs tors. theta energy: -122.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1638.410754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.410754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.410754 (E_RNA) where: Base-Base interactions energy: -1021.672 where: short stacking energy: -477.504 Base-Backbone interact. energy: -1.375 local terms energy: -615.363814 where: bonds (distance) C4'-P energy: -117.500 bonds (distance) P-C4' energy: -163.037 flat angles C4'-P-C4' energy: -154.413 flat angles P-C4'-P energy: -117.976 tors. eta vs tors. theta energy: -62.438 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1094.766987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.766987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.766987 (E_RNA) where: Base-Base interactions energy: -580.673 where: short stacking energy: -292.220 Base-Backbone interact. energy: -1.041 local terms energy: -513.053676 where: bonds (distance) C4'-P energy: -132.179 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -134.600 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -877.212170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.212170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.212170 (E_RNA) where: Base-Base interactions energy: -451.247 where: short stacking energy: -262.116 Base-Backbone interact. energy: 1.414 local terms energy: -427.378561 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -157.859 flat angles C4'-P-C4' energy: -105.160 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: 32.782 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: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3096.895882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.895882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.895882 (E_RNA) where: Base-Base interactions energy: -2127.046 where: short stacking energy: -944.554 Base-Backbone interact. energy: -2.388 local terms energy: -967.461228 where: bonds (distance) C4'-P energy: -188.500 bonds (distance) P-C4' energy: -179.543 flat angles C4'-P-C4' energy: -202.678 flat angles P-C4'-P energy: -129.231 tors. eta vs tors. theta energy: -267.509 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2954.711446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.711446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.711446 (E_RNA) where: Base-Base interactions energy: -2005.911 where: short stacking energy: -910.989 Base-Backbone interact. energy: -1.727 local terms energy: -947.073540 where: bonds (distance) C4'-P energy: -168.951 bonds (distance) P-C4' energy: -171.471 flat angles C4'-P-C4' energy: -219.423 flat angles P-C4'-P energy: -126.141 tors. eta vs tors. theta energy: -261.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2753.362924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.362924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.362924 (E_RNA) where: Base-Base interactions energy: -1853.058 where: short stacking energy: -848.976 Base-Backbone interact. energy: -0.437 local terms energy: -899.867313 where: bonds (distance) C4'-P energy: -169.954 bonds (distance) P-C4' energy: -173.551 flat angles C4'-P-C4' energy: -184.387 flat angles P-C4'-P energy: -127.287 tors. eta vs tors. theta energy: -244.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2672.691610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.691610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.691610 (E_RNA) where: Base-Base interactions energy: -1800.983 where: short stacking energy: -827.647 Base-Backbone interact. energy: -1.406 local terms energy: -870.302794 where: bonds (distance) C4'-P energy: -169.584 bonds (distance) P-C4' energy: -141.013 flat angles C4'-P-C4' energy: -200.134 flat angles P-C4'-P energy: -124.562 tors. eta vs tors. theta energy: -235.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2455.374286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.374286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.374286 (E_RNA) where: Base-Base interactions energy: -1693.862 where: short stacking energy: -743.610 Base-Backbone interact. energy: 2.052 local terms energy: -763.564835 where: bonds (distance) C4'-P energy: -148.930 bonds (distance) P-C4' energy: -137.098 flat angles C4'-P-C4' energy: -173.408 flat angles P-C4'-P energy: -124.550 tors. eta vs tors. theta energy: -179.579 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2206.008200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.008200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.008200 (E_RNA) where: Base-Base interactions energy: -1503.694 where: short stacking energy: -640.625 Base-Backbone interact. energy: -3.041 local terms energy: -699.273118 where: bonds (distance) C4'-P energy: -157.673 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -171.159 flat angles P-C4'-P energy: -77.751 tors. eta vs tors. theta energy: -139.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1905.343700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.343700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.343700 (E_RNA) where: Base-Base interactions energy: -1262.800 where: short stacking energy: -558.741 Base-Backbone interact. energy: -3.260 local terms energy: -639.283401 where: bonds (distance) C4'-P energy: -139.697 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -94.260 tors. eta vs tors. theta energy: -102.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1679.440862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.440862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.440862 (E_RNA) where: Base-Base interactions energy: -1047.380 where: short stacking energy: -491.448 Base-Backbone interact. energy: 1.374 local terms energy: -633.434942 where: bonds (distance) C4'-P energy: -152.179 bonds (distance) P-C4' energy: -145.898 flat angles C4'-P-C4' energy: -158.557 flat angles P-C4'-P energy: -86.874 tors. eta vs tors. theta energy: -89.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1069.965214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.965214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.965214 (E_RNA) where: Base-Base interactions energy: -587.231 where: short stacking energy: -347.825 Base-Backbone interact. energy: -0.768 local terms energy: -481.966843 where: bonds (distance) C4'-P energy: -132.665 bonds (distance) P-C4' energy: -154.425 flat angles C4'-P-C4' energy: -125.064 flat angles P-C4'-P energy: -60.567 tors. eta vs tors. theta energy: -9.246 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: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -895.209403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.209403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.209403 (E_RNA) where: Base-Base interactions energy: -436.424 where: short stacking energy: -218.975 Base-Backbone interact. energy: -1.525 local terms energy: -457.260513 where: bonds (distance) C4'-P energy: -129.259 bonds (distance) P-C4' energy: -162.506 flat angles C4'-P-C4' energy: -116.801 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: 19.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3079.295215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.295215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.295215 (E_RNA) where: Base-Base interactions energy: -2103.907 where: short stacking energy: -920.912 Base-Backbone interact. energy: 1.238 local terms energy: -976.626056 where: bonds (distance) C4'-P energy: -169.555 bonds (distance) P-C4' energy: -184.795 flat angles C4'-P-C4' energy: -211.804 flat angles P-C4'-P energy: -138.799 tors. eta vs tors. theta energy: -271.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2942.817028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.817028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.817028 (E_RNA) where: Base-Base interactions energy: -2016.183 where: short stacking energy: -880.641 Base-Backbone interact. energy: -0.349 local terms energy: -926.284338 where: bonds (distance) C4'-P energy: -168.410 bonds (distance) P-C4' energy: -171.399 flat angles C4'-P-C4' energy: -205.405 flat angles P-C4'-P energy: -122.160 tors. eta vs tors. theta energy: -258.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2783.531988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.531988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.531988 (E_RNA) where: Base-Base interactions energy: -1868.576 where: short stacking energy: -859.070 Base-Backbone interact. energy: -2.287 local terms energy: -912.668788 where: bonds (distance) C4'-P energy: -182.285 bonds (distance) P-C4' energy: -171.447 flat angles C4'-P-C4' energy: -199.728 flat angles P-C4'-P energy: -111.447 tors. eta vs tors. theta energy: -247.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2741.421968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.421968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.421968 (E_RNA) where: Base-Base interactions energy: -1896.262 where: short stacking energy: -846.080 Base-Backbone interact. energy: -1.423 local terms energy: -843.736554 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -187.735 flat angles P-C4'-P energy: -123.043 tors. eta vs tors. theta energy: -235.390 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: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2545.812911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.812911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.812911 (E_RNA) where: Base-Base interactions energy: -1714.645 where: short stacking energy: -758.892 Base-Backbone interact. energy: -4.130 local terms energy: -827.037276 where: bonds (distance) C4'-P energy: -149.325 bonds (distance) P-C4' energy: -174.237 flat angles C4'-P-C4' energy: -181.726 flat angles P-C4'-P energy: -125.887 tors. eta vs tors. theta energy: -195.862 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: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2153.673330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.673330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.673330 (E_RNA) where: Base-Base interactions energy: -1412.990 where: short stacking energy: -618.634 Base-Backbone interact. energy: -2.413 local terms energy: -738.270040 where: bonds (distance) C4'-P energy: -138.038 bonds (distance) P-C4' energy: -173.225 flat angles C4'-P-C4' energy: -169.466 flat angles P-C4'-P energy: -114.370 tors. eta vs tors. theta energy: -143.172 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: 7, replica: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1954.385471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.385471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.385471 (E_RNA) where: Base-Base interactions energy: -1252.728 where: short stacking energy: -571.395 Base-Backbone interact. energy: -1.777 local terms energy: -699.880247 where: bonds (distance) C4'-P energy: -142.680 bonds (distance) P-C4' energy: -158.524 flat angles C4'-P-C4' energy: -153.489 flat angles P-C4'-P energy: -112.950 tors. eta vs tors. theta energy: -132.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1679.594753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.594753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.594753 (E_RNA) where: Base-Base interactions energy: -1057.293 where: short stacking energy: -487.833 Base-Backbone interact. energy: -1.329 local terms energy: -620.973225 where: bonds (distance) C4'-P energy: -129.914 bonds (distance) P-C4' energy: -141.970 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -106.987 tors. eta vs tors. theta energy: -104.732 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: 301 Temperature: 1.300000 Total energy: -1088.953172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.953172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.953172 (E_RNA) where: Base-Base interactions energy: -574.730 where: short stacking energy: -316.632 Base-Backbone interact. energy: 3.122 local terms energy: -517.345025 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -173.326 flat angles C4'-P-C4' energy: -144.187 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: -14.118 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: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -796.885206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.885206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.885206 (E_RNA) where: Base-Base interactions energy: -364.537 where: short stacking energy: -231.604 Base-Backbone interact. energy: 3.111 local terms energy: -435.459023 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -85.214 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: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3099.501925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.501925 (E_RNA) where: Base-Base interactions energy: -2110.518 where: short stacking energy: -948.995 Base-Backbone interact. energy: -3.502 local terms energy: -985.481360 where: bonds (distance) C4'-P energy: -174.791 bonds (distance) P-C4' energy: -180.874 flat angles C4'-P-C4' energy: -204.115 flat angles P-C4'-P energy: -152.380 tors. eta vs tors. theta energy: -273.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2887.532236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.532236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.532236 (E_RNA) where: Base-Base interactions energy: -1968.931 where: short stacking energy: -870.118 Base-Backbone interact. energy: -1.963 local terms energy: -916.638409 where: bonds (distance) C4'-P energy: -178.914 bonds (distance) P-C4' energy: -174.388 flat angles C4'-P-C4' energy: -179.709 flat angles P-C4'-P energy: -132.162 tors. eta vs tors. theta energy: -251.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2778.522604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.522604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.522604 (E_RNA) where: Base-Base interactions energy: -1877.785 where: short stacking energy: -842.683 Base-Backbone interact. energy: -4.411 local terms energy: -896.326034 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -199.241 flat angles P-C4'-P energy: -133.549 tors. eta vs tors. theta energy: -240.823 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: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2718.527062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.527062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.527062 (E_RNA) where: Base-Base interactions energy: -1845.944 where: short stacking energy: -847.349 Base-Backbone interact. energy: -1.459 local terms energy: -871.123806 where: bonds (distance) C4'-P energy: -166.405 bonds (distance) P-C4' energy: -157.023 flat angles C4'-P-C4' energy: -191.124 flat angles P-C4'-P energy: -123.136 tors. eta vs tors. theta energy: -233.436 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: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2452.392607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.392607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.392607 (E_RNA) where: Base-Base interactions energy: -1644.952 where: short stacking energy: -724.901 Base-Backbone interact. energy: 0.283 local terms energy: -807.723778 where: bonds (distance) C4'-P energy: -172.968 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -184.113 flat angles P-C4'-P energy: -114.323 tors. eta vs tors. theta energy: -177.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2221.041500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.041500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.041500 (E_RNA) where: Base-Base interactions energy: -1458.919 where: short stacking energy: -661.982 Base-Backbone interact. energy: -3.067 local terms energy: -759.055520 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -156.960 flat angles C4'-P-C4' energy: -184.954 flat angles P-C4'-P energy: -104.910 tors. eta vs tors. theta energy: -166.995 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: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1965.607426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.607426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.607426 (E_RNA) where: Base-Base interactions energy: -1286.818 where: short stacking energy: -576.722 Base-Backbone interact. energy: -2.271 local terms energy: -676.518537 where: bonds (distance) C4'-P energy: -137.125 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -163.768 flat angles P-C4'-P energy: -101.388 tors. eta vs tors. theta energy: -119.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1708.896733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.896733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.896733 (E_RNA) where: Base-Base interactions energy: -1093.418 where: short stacking energy: -470.312 Base-Backbone interact. energy: 1.890 local terms energy: -617.369203 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -153.880 flat angles C4'-P-C4' energy: -128.254 flat angles P-C4'-P energy: -96.750 tors. eta vs tors. theta energy: -99.101 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: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1066.817546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.817546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.817546 (E_RNA) where: Base-Base interactions energy: -551.395 where: short stacking energy: -315.108 Base-Backbone interact. energy: 0.588 local terms energy: -516.010513 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -156.890 flat angles C4'-P-C4' energy: -132.840 flat angles P-C4'-P energy: -79.220 tors. eta vs tors. theta energy: -17.828 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: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -817.796585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.796585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.796585 (E_RNA) where: Base-Base interactions energy: -362.397 where: short stacking energy: -227.884 Base-Backbone interact. energy: -3.843 local terms energy: -451.555791 where: bonds (distance) C4'-P energy: -142.098 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -114.403 flat angles P-C4'-P energy: -88.610 tors. eta vs tors. theta energy: 30.182 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: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3087.786286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.786286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.786286 (E_RNA) where: Base-Base interactions energy: -2108.032 where: short stacking energy: -915.259 Base-Backbone interact. energy: -2.194 local terms energy: -977.560051 where: bonds (distance) C4'-P energy: -190.683 bonds (distance) P-C4' energy: -190.734 flat angles C4'-P-C4' energy: -214.085 flat angles P-C4'-P energy: -121.347 tors. eta vs tors. theta energy: -260.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2935.944072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.944072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.944072 (E_RNA) where: Base-Base interactions energy: -2005.900 where: short stacking energy: -891.410 Base-Backbone interact. energy: 0.211 local terms energy: -930.254579 where: bonds (distance) C4'-P energy: -171.815 bonds (distance) P-C4' energy: -171.976 flat angles C4'-P-C4' energy: -193.334 flat angles P-C4'-P energy: -136.876 tors. eta vs tors. theta energy: -256.253 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: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2759.253077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.253077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.253077 (E_RNA) where: Base-Base interactions energy: -1842.142 where: short stacking energy: -844.668 Base-Backbone interact. energy: 2.947 local terms energy: -920.057720 where: bonds (distance) C4'-P energy: -164.880 bonds (distance) P-C4' energy: -183.449 flat angles C4'-P-C4' energy: -196.038 flat angles P-C4'-P energy: -129.864 tors. eta vs tors. theta energy: -245.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2710.178325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.178325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.178325 (E_RNA) where: Base-Base interactions energy: -1835.073 where: short stacking energy: -817.476 Base-Backbone interact. energy: 16.403 local terms energy: -891.508337 where: bonds (distance) C4'-P energy: -162.416 bonds (distance) P-C4' energy: -181.819 flat angles C4'-P-C4' energy: -195.434 flat angles P-C4'-P energy: -127.271 tors. eta vs tors. theta energy: -224.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2407.385359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.385359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.385359 (E_RNA) where: Base-Base interactions energy: -1612.792 where: short stacking energy: -746.768 Base-Backbone interact. energy: -2.994 local terms energy: -791.599116 where: bonds (distance) C4'-P energy: -159.799 bonds (distance) P-C4' energy: -172.018 flat angles C4'-P-C4' energy: -172.112 flat angles P-C4'-P energy: -98.640 tors. eta vs tors. theta energy: -189.031 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: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2174.389212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.389212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.389212 (E_RNA) where: Base-Base interactions energy: -1468.486 where: short stacking energy: -619.812 Base-Backbone interact. energy: 1.918 local terms energy: -707.821340 where: bonds (distance) C4'-P energy: -163.433 bonds (distance) P-C4' energy: -146.572 flat angles C4'-P-C4' energy: -157.057 flat angles P-C4'-P energy: -100.291 tors. eta vs tors. theta energy: -140.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1896.641122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.641122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.641122 (E_RNA) where: Base-Base interactions energy: -1243.326 where: short stacking energy: -538.058 Base-Backbone interact. energy: 1.178 local terms energy: -654.493339 where: bonds (distance) C4'-P energy: -148.400 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -146.849 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: -115.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1628.522810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.522810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.522810 (E_RNA) where: Base-Base interactions energy: -996.767 where: short stacking energy: -465.071 Base-Backbone interact. energy: -0.610 local terms energy: -631.145843 where: bonds (distance) C4'-P energy: -142.067 bonds (distance) P-C4' energy: -159.183 flat angles C4'-P-C4' energy: -162.850 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -86.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1034.125321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.125321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.125321 (E_RNA) where: Base-Base interactions energy: -544.992 where: short stacking energy: -335.066 Base-Backbone interact. energy: 6.999 local terms energy: -496.131578 where: bonds (distance) C4'-P energy: -137.612 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: -13.108 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: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -802.885172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.885172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.885172 (E_RNA) where: Base-Base interactions energy: -350.587 where: short stacking energy: -210.795 Base-Backbone interact. energy: 1.763 local terms energy: -454.060995 where: bonds (distance) C4'-P energy: -132.115 bonds (distance) P-C4' energy: -172.185 flat angles C4'-P-C4' energy: -100.306 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: 14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3100.691505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.691505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.691505 (E_RNA) where: Base-Base interactions energy: -2140.391 where: short stacking energy: -947.909 Base-Backbone interact. energy: -2.676 local terms energy: -957.624596 where: bonds (distance) C4'-P energy: -164.752 bonds (distance) P-C4' energy: -176.668 flat angles C4'-P-C4' energy: -217.515 flat angles P-C4'-P energy: -143.711 tors. eta vs tors. theta energy: -254.978 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: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2915.356429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.356429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.356429 (E_RNA) where: Base-Base interactions energy: -2014.843 where: short stacking energy: -890.829 Base-Backbone interact. energy: -3.869 local terms energy: -896.644512 where: bonds (distance) C4'-P energy: -150.687 bonds (distance) P-C4' energy: -161.204 flat angles C4'-P-C4' energy: -201.541 flat angles P-C4'-P energy: -132.553 tors. eta vs tors. theta energy: -250.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2779.229025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.229025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.229025 (E_RNA) where: Base-Base interactions energy: -1870.774 where: short stacking energy: -832.621 Base-Backbone interact. energy: -1.666 local terms energy: -906.789872 where: bonds (distance) C4'-P energy: -165.649 bonds (distance) P-C4' energy: -176.934 flat angles C4'-P-C4' energy: -183.229 flat angles P-C4'-P energy: -129.154 tors. eta vs tors. theta energy: -251.824 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: 304 Temperature: 1.050000 Total energy: -2715.503311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.503311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.503311 (E_RNA) where: Base-Base interactions energy: -1829.286 where: short stacking energy: -824.632 Base-Backbone interact. energy: -2.363 local terms energy: -883.854130 where: bonds (distance) C4'-P energy: -161.326 bonds (distance) P-C4' energy: -165.376 flat angles C4'-P-C4' energy: -204.426 flat angles P-C4'-P energy: -120.578 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: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2451.508587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.508587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.508587 (E_RNA) where: Base-Base interactions energy: -1634.144 where: short stacking energy: -756.697 Base-Backbone interact. energy: 0.100 local terms energy: -817.464245 where: bonds (distance) C4'-P energy: -159.175 bonds (distance) P-C4' energy: -154.359 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -123.316 tors. eta vs tors. theta energy: -194.675 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2208.024942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.024942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.024942 (E_RNA) where: Base-Base interactions energy: -1489.690 where: short stacking energy: -641.766 Base-Backbone interact. energy: -3.268 local terms energy: -715.066987 where: bonds (distance) C4'-P energy: -162.852 bonds (distance) P-C4' energy: -170.998 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -141.069 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: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1973.398478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.398478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.398478 (E_RNA) where: Base-Base interactions energy: -1259.258 where: short stacking energy: -583.755 Base-Backbone interact. energy: -4.206 local terms energy: -709.934281 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -155.869 flat angles C4'-P-C4' energy: -174.172 flat angles P-C4'-P energy: -99.619 tors. eta vs tors. theta energy: -125.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1719.244260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.244260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.244260 (E_RNA) where: Base-Base interactions energy: -1070.732 where: short stacking energy: -466.721 Base-Backbone interact. energy: -0.884 local terms energy: -647.628710 where: bonds (distance) C4'-P energy: -151.623 bonds (distance) P-C4' energy: -154.145 flat angles C4'-P-C4' energy: -149.996 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -107.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -990.404080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.404080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.404080 (E_RNA) where: Base-Base interactions energy: -516.874 where: short stacking energy: -309.614 Base-Backbone interact. energy: -0.966 local terms energy: -472.564599 where: bonds (distance) C4'-P energy: -131.749 bonds (distance) P-C4' energy: -145.395 flat angles C4'-P-C4' energy: -116.476 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -20.840 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: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -859.394398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.394398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.394398 (E_RNA) where: Base-Base interactions energy: -381.548 where: short stacking energy: -249.621 Base-Backbone interact. energy: -3.845 local terms energy: -474.001216 where: bonds (distance) C4'-P energy: -153.690 bonds (distance) P-C4' energy: -156.724 flat angles C4'-P-C4' energy: -101.895 flat angles P-C4'-P energy: -65.157 tors. eta vs tors. theta energy: 3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3104.450903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.450903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.450903 (E_RNA) where: Base-Base interactions energy: -2134.644 where: short stacking energy: -948.811 Base-Backbone interact. energy: -4.995 local terms energy: -964.812459 where: bonds (distance) C4'-P energy: -167.875 bonds (distance) P-C4' energy: -175.598 flat angles C4'-P-C4' energy: -211.070 flat angles P-C4'-P energy: -130.669 tors. eta vs tors. theta energy: -279.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2912.574838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.574838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.574838 (E_RNA) where: Base-Base interactions energy: -1998.846 where: short stacking energy: -897.450 Base-Backbone interact. energy: -1.887 local terms energy: -911.842300 where: bonds (distance) C4'-P energy: -171.171 bonds (distance) P-C4' energy: -164.215 flat angles C4'-P-C4' energy: -212.043 flat angles P-C4'-P energy: -118.481 tors. eta vs tors. theta energy: -245.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2817.481604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.481604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.481604 (E_RNA) where: Base-Base interactions energy: -1928.358 where: short stacking energy: -893.898 Base-Backbone interact. energy: -2.374 local terms energy: -886.749132 where: bonds (distance) C4'-P energy: -172.245 bonds (distance) P-C4' energy: -158.444 flat angles C4'-P-C4' energy: -177.737 flat angles P-C4'-P energy: -132.973 tors. eta vs tors. theta energy: -245.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2699.901633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.901633 (E_RNA) where: Base-Base interactions energy: -1825.421 where: short stacking energy: -830.732 Base-Backbone interact. energy: -0.259 local terms energy: -874.221272 where: bonds (distance) C4'-P energy: -162.023 bonds (distance) P-C4' energy: -163.679 flat angles C4'-P-C4' energy: -197.510 flat angles P-C4'-P energy: -118.538 tors. eta vs tors. theta energy: -232.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2462.869788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.869788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.869788 (E_RNA) where: Base-Base interactions energy: -1662.417 where: short stacking energy: -757.105 Base-Backbone interact. energy: 3.654 local terms energy: -804.106452 where: bonds (distance) C4'-P energy: -148.179 bonds (distance) P-C4' energy: -162.743 flat angles C4'-P-C4' energy: -171.419 flat angles P-C4'-P energy: -126.331 tors. eta vs tors. theta energy: -195.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2173.909748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.909748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.909748 (E_RNA) where: Base-Base interactions energy: -1428.981 where: short stacking energy: -611.078 Base-Backbone interact. energy: 3.529 local terms energy: -748.458425 where: bonds (distance) C4'-P energy: -149.760 bonds (distance) P-C4' energy: -169.692 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -119.569 tors. eta vs tors. theta energy: -139.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2005.056261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.056261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.056261 (E_RNA) where: Base-Base interactions energy: -1316.183 where: short stacking energy: -593.175 Base-Backbone interact. energy: 0.474 local terms energy: -689.346905 where: bonds (distance) C4'-P energy: -121.396 bonds (distance) P-C4' energy: -153.650 flat angles C4'-P-C4' energy: -180.798 flat angles P-C4'-P energy: -94.890 tors. eta vs tors. theta energy: -138.613 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1711.428442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.428442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.428442 (E_RNA) where: Base-Base interactions energy: -1057.507 where: short stacking energy: -500.907 Base-Backbone interact. energy: 3.879 local terms energy: -657.801051 where: bonds (distance) C4'-P energy: -147.401 bonds (distance) P-C4' energy: -135.634 flat angles C4'-P-C4' energy: -171.443 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -95.834 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: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -990.481914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.481914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.481914 (E_RNA) where: Base-Base interactions energy: -457.959 where: short stacking energy: -274.208 Base-Backbone interact. energy: -2.622 local terms energy: -529.900363 where: bonds (distance) C4'-P energy: -144.010 bonds (distance) P-C4' energy: -167.572 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -854.869228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.869228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.869228 (E_RNA) where: Base-Base interactions energy: -410.840 where: short stacking energy: -232.682 Base-Backbone interact. energy: -0.686 local terms energy: -443.343561 where: bonds (distance) C4'-P energy: -119.879 bonds (distance) P-C4' energy: -144.702 flat angles C4'-P-C4' energy: -121.867 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: 12.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3109.791522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.791522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.791522 (E_RNA) where: Base-Base interactions energy: -2131.465 where: short stacking energy: -953.785 Base-Backbone interact. energy: 0.192 local terms energy: -978.518796 where: bonds (distance) C4'-P energy: -184.256 bonds (distance) P-C4' energy: -175.340 flat angles C4'-P-C4' energy: -212.053 flat angles P-C4'-P energy: -133.830 tors. eta vs tors. theta energy: -273.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2944.200484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.200484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.200484 (E_RNA) where: Base-Base interactions energy: -1992.611 where: short stacking energy: -862.855 Base-Backbone interact. energy: -1.312 local terms energy: -950.278232 where: bonds (distance) C4'-P energy: -183.707 bonds (distance) P-C4' energy: -184.196 flat angles C4'-P-C4' energy: -202.135 flat angles P-C4'-P energy: -118.388 tors. eta vs tors. theta energy: -261.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2786.756619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.756619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.756619 (E_RNA) where: Base-Base interactions energy: -1849.860 where: short stacking energy: -856.654 Base-Backbone interact. energy: -2.405 local terms energy: -934.491265 where: bonds (distance) C4'-P energy: -167.916 bonds (distance) P-C4' energy: -182.005 flat angles C4'-P-C4' energy: -197.042 flat angles P-C4'-P energy: -141.488 tors. eta vs tors. theta energy: -246.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2726.302146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.302146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.302146 (E_RNA) where: Base-Base interactions energy: -1841.414 where: short stacking energy: -846.110 Base-Backbone interact. energy: 2.674 local terms energy: -887.561391 where: bonds (distance) C4'-P energy: -162.523 bonds (distance) P-C4' energy: -182.926 flat angles C4'-P-C4' energy: -186.942 flat angles P-C4'-P energy: -109.221 tors. eta vs tors. theta energy: -245.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2455.398990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.398990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.398990 (E_RNA) where: Base-Base interactions energy: -1639.370 where: short stacking energy: -720.704 Base-Backbone interact. energy: 2.943 local terms energy: -818.971900 where: bonds (distance) C4'-P energy: -138.910 bonds (distance) P-C4' energy: -161.684 flat angles C4'-P-C4' energy: -202.122 flat angles P-C4'-P energy: -123.598 tors. eta vs tors. theta energy: -192.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2179.153395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.153395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.153395 (E_RNA) where: Base-Base interactions energy: -1438.496 where: short stacking energy: -625.659 Base-Backbone interact. energy: 0.963 local terms energy: -741.620916 where: bonds (distance) C4'-P energy: -167.991 bonds (distance) P-C4' energy: -160.331 flat angles C4'-P-C4' energy: -181.487 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -138.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1987.111615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.111615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.111615 (E_RNA) where: Base-Base interactions energy: -1307.561 where: short stacking energy: -586.397 Base-Backbone interact. energy: 1.779 local terms energy: -681.330152 where: bonds (distance) C4'-P energy: -141.125 bonds (distance) P-C4' energy: -146.364 flat angles C4'-P-C4' energy: -160.834 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -130.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1674.231486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.231486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.231486 (E_RNA) where: Base-Base interactions energy: -1039.879 where: short stacking energy: -474.770 Base-Backbone interact. energy: -1.488 local terms energy: -632.864584 where: bonds (distance) C4'-P energy: -137.062 bonds (distance) P-C4' energy: -139.785 flat angles C4'-P-C4' energy: -170.117 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -93.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -988.318285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.318285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.318285 (E_RNA) where: Base-Base interactions energy: -500.270 where: short stacking energy: -296.389 Base-Backbone interact. energy: 0.874 local terms energy: -488.922688 where: bonds (distance) C4'-P energy: -151.601 bonds (distance) P-C4' energy: -127.725 flat angles C4'-P-C4' energy: -123.292 flat angles P-C4'-P energy: -83.251 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -841.135279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.135279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.135279 (E_RNA) where: Base-Base interactions energy: -393.770 where: short stacking energy: -266.380 Base-Backbone interact. energy: 4.650 local terms energy: -452.015036 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -79.279 tors. eta vs tors. theta energy: 2.352 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: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3095.234850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.234850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.234850 (E_RNA) where: Base-Base interactions energy: -2178.267 where: short stacking energy: -947.432 Base-Backbone interact. energy: 1.472 local terms energy: -918.439826 where: bonds (distance) C4'-P energy: -165.332 bonds (distance) P-C4' energy: -158.322 flat angles C4'-P-C4' energy: -210.306 flat angles P-C4'-P energy: -125.668 tors. eta vs tors. theta energy: -258.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2937.476242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.476242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.476242 (E_RNA) where: Base-Base interactions energy: -2017.033 where: short stacking energy: -863.116 Base-Backbone interact. energy: 2.550 local terms energy: -922.993170 where: bonds (distance) C4'-P energy: -173.474 bonds (distance) P-C4' energy: -185.764 flat angles C4'-P-C4' energy: -196.981 flat angles P-C4'-P energy: -132.636 tors. eta vs tors. theta energy: -234.138 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2790.855515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.855515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.855515 (E_RNA) where: Base-Base interactions energy: -1883.528 where: short stacking energy: -877.553 Base-Backbone interact. energy: 0.884 local terms energy: -908.211468 where: bonds (distance) C4'-P energy: -171.401 bonds (distance) P-C4' energy: -153.647 flat angles C4'-P-C4' energy: -201.748 flat angles P-C4'-P energy: -138.881 tors. eta vs tors. theta energy: -242.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2737.902133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.902133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.902133 (E_RNA) where: Base-Base interactions energy: -1849.435 where: short stacking energy: -863.215 Base-Backbone interact. energy: -1.790 local terms energy: -886.677598 where: bonds (distance) C4'-P energy: -154.858 bonds (distance) P-C4' energy: -175.524 flat angles C4'-P-C4' energy: -196.968 flat angles P-C4'-P energy: -121.953 tors. eta vs tors. theta energy: -237.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2416.510212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.510212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.510212 (E_RNA) where: Base-Base interactions energy: -1648.189 where: short stacking energy: -762.530 Base-Backbone interact. energy: -2.368 local terms energy: -765.953330 where: bonds (distance) C4'-P energy: -161.381 bonds (distance) P-C4' energy: -147.775 flat angles C4'-P-C4' energy: -167.578 flat angles P-C4'-P energy: -104.338 tors. eta vs tors. theta energy: -184.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2158.518337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.518337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.518337 (E_RNA) where: Base-Base interactions energy: -1460.309 where: short stacking energy: -665.722 Base-Backbone interact. energy: -0.829 local terms energy: -697.379604 where: bonds (distance) C4'-P energy: -145.222 bonds (distance) P-C4' energy: -150.759 flat angles C4'-P-C4' energy: -148.877 flat angles P-C4'-P energy: -104.836 tors. eta vs tors. theta energy: -147.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1969.945947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.945947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.945947 (E_RNA) where: Base-Base interactions energy: -1299.755 where: short stacking energy: -588.567 Base-Backbone interact. energy: -0.693 local terms energy: -669.497953 where: bonds (distance) C4'-P energy: -142.157 bonds (distance) P-C4' energy: -143.642 flat angles C4'-P-C4' energy: -139.279 flat angles P-C4'-P energy: -114.926 tors. eta vs tors. theta energy: -129.494 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: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1678.957872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.957872 (E_RNA) where: Base-Base interactions energy: -1030.662 where: short stacking energy: -523.349 Base-Backbone interact. energy: 5.142 local terms energy: -653.437489 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -157.694 flat angles P-C4'-P energy: -98.655 tors. eta vs tors. theta energy: -95.411 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: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -995.798575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.798575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.798575 (E_RNA) where: Base-Base interactions energy: -479.733 where: short stacking energy: -272.712 Base-Backbone interact. energy: -1.118 local terms energy: -514.946831 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -146.881 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -18.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -852.735421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.735421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.735421 (E_RNA) where: Base-Base interactions energy: -390.520 where: short stacking energy: -224.514 Base-Backbone interact. energy: 9.398 local terms energy: -471.613556 where: bonds (distance) C4'-P energy: -127.558 bonds (distance) P-C4' energy: -167.677 flat angles C4'-P-C4' energy: -125.214 flat angles P-C4'-P energy: -87.030 tors. eta vs tors. theta energy: 35.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3079.816157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.816157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.816157 (E_RNA) where: Base-Base interactions energy: -2103.487 where: short stacking energy: -889.288 Base-Backbone interact. energy: -2.454 local terms energy: -973.874436 where: bonds (distance) C4'-P energy: -173.021 bonds (distance) P-C4' energy: -178.130 flat angles C4'-P-C4' energy: -212.098 flat angles P-C4'-P energy: -151.905 tors. eta vs tors. theta energy: -258.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2970.345899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.345899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.345899 (E_RNA) where: Base-Base interactions energy: -2045.295 where: short stacking energy: -918.919 Base-Backbone interact. energy: 2.984 local terms energy: -928.034398 where: bonds (distance) C4'-P energy: -177.350 bonds (distance) P-C4' energy: -164.714 flat angles C4'-P-C4' energy: -198.582 flat angles P-C4'-P energy: -126.184 tors. eta vs tors. theta energy: -261.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2760.440249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.440249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.440249 (E_RNA) where: Base-Base interactions energy: -1858.485 where: short stacking energy: -858.386 Base-Backbone interact. energy: -1.661 local terms energy: -900.294118 where: bonds (distance) C4'-P energy: -159.883 bonds (distance) P-C4' energy: -165.721 flat angles C4'-P-C4' energy: -193.540 flat angles P-C4'-P energy: -137.169 tors. eta vs tors. theta energy: -243.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2713.172857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.172857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.172857 (E_RNA) where: Base-Base interactions energy: -1839.320 where: short stacking energy: -827.320 Base-Backbone interact. energy: -0.877 local terms energy: -872.975744 where: bonds (distance) C4'-P energy: -167.543 bonds (distance) P-C4' energy: -152.307 flat angles C4'-P-C4' energy: -197.774 flat angles P-C4'-P energy: -125.582 tors. eta vs tors. theta energy: -229.769 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2493.093336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.093336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.093336 (E_RNA) where: Base-Base interactions energy: -1690.450 where: short stacking energy: -764.424 Base-Backbone interact. energy: 0.651 local terms energy: -803.293855 where: bonds (distance) C4'-P energy: -147.920 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -180.230 flat angles P-C4'-P energy: -100.250 tors. eta vs tors. theta energy: -197.607 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: 308 Temperature: 1.150000 Total energy: -2159.169296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.169296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.169296 (E_RNA) where: Base-Base interactions energy: -1410.165 where: short stacking energy: -636.906 Base-Backbone interact. energy: -1.182 local terms energy: -747.822482 where: bonds (distance) C4'-P energy: -144.028 bonds (distance) P-C4' energy: -165.459 flat angles C4'-P-C4' energy: -163.645 flat angles P-C4'-P energy: -119.811 tors. eta vs tors. theta energy: -154.880 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: 308 Temperature: 1.200000 Total energy: -1955.113417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.113417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.113417 (E_RNA) where: Base-Base interactions energy: -1272.244 where: short stacking energy: -596.735 Base-Backbone interact. energy: -1.637 local terms energy: -681.231628 where: bonds (distance) C4'-P energy: -133.410 bonds (distance) P-C4' energy: -147.859 flat angles C4'-P-C4' energy: -167.339 flat angles P-C4'-P energy: -107.962 tors. eta vs tors. theta energy: -124.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1803.534770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.534770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.534770 (E_RNA) where: Base-Base interactions energy: -1141.718 where: short stacking energy: -525.144 Base-Backbone interact. energy: -0.977 local terms energy: -660.838845 where: bonds (distance) C4'-P energy: -158.070 bonds (distance) P-C4' energy: -132.184 flat angles C4'-P-C4' energy: -151.343 flat angles P-C4'-P energy: -91.296 tors. eta vs tors. theta energy: -127.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1037.733971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.733971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.733971 (E_RNA) where: Base-Base interactions energy: -489.638 where: short stacking energy: -291.128 Base-Backbone interact. energy: -3.746 local terms energy: -544.349961 where: bonds (distance) C4'-P energy: -151.434 bonds (distance) P-C4' energy: -142.057 flat angles C4'-P-C4' energy: -135.577 flat angles P-C4'-P energy: -104.892 tors. eta vs tors. theta energy: -10.389 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: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -930.542402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.542402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.542402 (E_RNA) where: Base-Base interactions energy: -477.813 where: short stacking energy: -255.608 Base-Backbone interact. energy: -0.962 local terms energy: -451.767732 where: bonds (distance) C4'-P energy: -132.268 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -108.893 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: 0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3082.950040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.950040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.950040 (E_RNA) where: Base-Base interactions energy: -2117.648 where: short stacking energy: -950.697 Base-Backbone interact. energy: 2.444 local terms energy: -967.746211 where: bonds (distance) C4'-P energy: -173.154 bonds (distance) P-C4' energy: -190.663 flat angles C4'-P-C4' energy: -214.798 flat angles P-C4'-P energy: -123.754 tors. eta vs tors. theta energy: -265.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2942.719559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.719559 (E_RNA) where: Base-Base interactions energy: -1982.648 where: short stacking energy: -885.501 Base-Backbone interact. energy: -2.686 local terms energy: -957.384870 where: bonds (distance) C4'-P energy: -164.513 bonds (distance) P-C4' energy: -186.739 flat angles C4'-P-C4' energy: -209.626 flat angles P-C4'-P energy: -121.428 tors. eta vs tors. theta energy: -275.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2802.182843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.182843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.182843 (E_RNA) where: Base-Base interactions energy: -1909.323 where: short stacking energy: -876.880 Base-Backbone interact. energy: 0.308 local terms energy: -893.168063 where: bonds (distance) C4'-P energy: -148.354 bonds (distance) P-C4' energy: -165.217 flat angles C4'-P-C4' energy: -194.608 flat angles P-C4'-P energy: -144.893 tors. eta vs tors. theta energy: -240.096 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: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2728.848282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.848282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.848282 (E_RNA) where: Base-Base interactions energy: -1826.852 where: short stacking energy: -862.326 Base-Backbone interact. energy: 0.010 local terms energy: -902.007099 where: bonds (distance) C4'-P energy: -163.733 bonds (distance) P-C4' energy: -169.187 flat angles C4'-P-C4' energy: -191.904 flat angles P-C4'-P energy: -125.176 tors. eta vs tors. theta energy: -252.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2452.108104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.108104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.108104 (E_RNA) where: Base-Base interactions energy: -1639.907 where: short stacking energy: -743.403 Base-Backbone interact. energy: -2.271 local terms energy: -809.929736 where: bonds (distance) C4'-P energy: -153.207 bonds (distance) P-C4' energy: -170.246 flat angles C4'-P-C4' energy: -181.367 flat angles P-C4'-P energy: -108.663 tors. eta vs tors. theta energy: -196.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2170.171428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.171428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.171428 (E_RNA) where: Base-Base interactions energy: -1432.553 where: short stacking energy: -630.531 Base-Backbone interact. energy: -1.147 local terms energy: -736.471551 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -145.243 flat angles C4'-P-C4' energy: -164.943 flat angles P-C4'-P energy: -118.190 tors. eta vs tors. theta energy: -156.709 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: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1941.227581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.227581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.227581 (E_RNA) where: Base-Base interactions energy: -1263.781 where: short stacking energy: -568.703 Base-Backbone interact. energy: -0.551 local terms energy: -676.896054 where: bonds (distance) C4'-P energy: -146.826 bonds (distance) P-C4' energy: -141.413 flat angles C4'-P-C4' energy: -146.526 flat angles P-C4'-P energy: -108.241 tors. eta vs tors. theta energy: -133.890 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: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1878.165287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.165287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.165287 (E_RNA) where: Base-Base interactions energy: -1244.604 where: short stacking energy: -533.613 Base-Backbone interact. energy: -2.780 local terms energy: -630.780669 where: bonds (distance) C4'-P energy: -144.618 bonds (distance) P-C4' energy: -139.992 flat angles C4'-P-C4' energy: -133.049 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -107.268 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: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1021.293181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.293181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.293181 (E_RNA) where: Base-Base interactions energy: -524.317 where: short stacking energy: -303.215 Base-Backbone interact. energy: 5.891 local terms energy: -502.866851 where: bonds (distance) C4'-P energy: -144.050 bonds (distance) P-C4' energy: -141.802 flat angles C4'-P-C4' energy: -124.478 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -16.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -992.949115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.949115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.949115 (E_RNA) where: Base-Base interactions energy: -522.370 where: short stacking energy: -297.569 Base-Backbone interact. energy: 0.664 local terms energy: -471.242808 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -114.550 flat angles P-C4'-P energy: -68.374 tors. eta vs tors. theta energy: -15.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3086.246814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.246814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.246814 (E_RNA) where: Base-Base interactions energy: -2110.668 where: short stacking energy: -947.666 Base-Backbone interact. energy: -2.402 local terms energy: -973.177029 where: bonds (distance) C4'-P energy: -168.082 bonds (distance) P-C4' energy: -187.005 flat angles C4'-P-C4' energy: -211.409 flat angles P-C4'-P energy: -130.552 tors. eta vs tors. theta energy: -276.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2963.900489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.900489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.900489 (E_RNA) where: Base-Base interactions energy: -2004.627 where: short stacking energy: -877.499 Base-Backbone interact. energy: -1.929 local terms energy: -957.344304 where: bonds (distance) C4'-P energy: -177.529 bonds (distance) P-C4' energy: -176.706 flat angles C4'-P-C4' energy: -201.170 flat angles P-C4'-P energy: -142.578 tors. eta vs tors. theta energy: -259.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2841.498805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.498805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.498805 (E_RNA) where: Base-Base interactions energy: -1909.585 where: short stacking energy: -927.079 Base-Backbone interact. energy: -1.229 local terms energy: -930.685210 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -177.950 flat angles C4'-P-C4' energy: -207.863 flat angles P-C4'-P energy: -143.927 tors. eta vs tors. theta energy: -256.757 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: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2722.180071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.180071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.180071 (E_RNA) where: Base-Base interactions energy: -1809.542 where: short stacking energy: -831.371 Base-Backbone interact. energy: -0.401 local terms energy: -912.236700 where: bonds (distance) C4'-P energy: -179.856 bonds (distance) P-C4' energy: -177.586 flat angles C4'-P-C4' energy: -184.642 flat angles P-C4'-P energy: -127.056 tors. eta vs tors. theta energy: -243.096 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: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2456.514652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.514652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.514652 (E_RNA) where: Base-Base interactions energy: -1664.829 where: short stacking energy: -761.778 Base-Backbone interact. energy: -1.107 local terms energy: -790.579113 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -183.370 flat angles P-C4'-P energy: -121.924 tors. eta vs tors. theta energy: -192.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2174.801441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.801441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.801441 (E_RNA) where: Base-Base interactions energy: -1459.075 where: short stacking energy: -635.828 Base-Backbone interact. energy: -1.519 local terms energy: -714.207298 where: bonds (distance) C4'-P energy: -111.433 bonds (distance) P-C4' energy: -194.346 flat angles C4'-P-C4' energy: -154.091 flat angles P-C4'-P energy: -99.242 tors. eta vs tors. theta energy: -155.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1903.821626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.821626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.821626 (E_RNA) where: Base-Base interactions energy: -1247.811 where: short stacking energy: -551.690 Base-Backbone interact. energy: 0.650 local terms energy: -656.660166 where: bonds (distance) C4'-P energy: -145.385 bonds (distance) P-C4' energy: -141.901 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -90.121 tors. eta vs tors. theta energy: -118.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1692.064127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.064127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.064127 (E_RNA) where: Base-Base interactions energy: -1101.144 where: short stacking energy: -489.464 Base-Backbone interact. energy: 1.614 local terms energy: -592.534667 where: bonds (distance) C4'-P energy: -139.540 bonds (distance) P-C4' energy: -148.179 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -78.120 tors. eta vs tors. theta energy: -76.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1040.629040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.629040 (E_RNA) where: Base-Base interactions energy: -538.860 where: short stacking energy: -312.804 Base-Backbone interact. energy: 6.298 local terms energy: -508.066409 where: bonds (distance) C4'-P energy: -134.395 bonds (distance) P-C4' energy: -154.181 flat angles C4'-P-C4' energy: -137.488 flat angles P-C4'-P energy: -75.691 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -871.750675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.750675 (E_RNA) where: Base-Base interactions energy: -444.422 where: short stacking energy: -240.089 Base-Backbone interact. energy: 2.503 local terms energy: -429.832264 where: bonds (distance) C4'-P energy: -125.137 bonds (distance) P-C4' energy: -154.701 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -61.703 tors. eta vs tors. theta energy: 14.450 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3049.658265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.658265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.658265 (E_RNA) where: Base-Base interactions energy: -2051.130 where: short stacking energy: -934.797 Base-Backbone interact. energy: -3.426 local terms energy: -995.102343 where: bonds (distance) C4'-P energy: -183.812 bonds (distance) P-C4' energy: -189.831 flat angles C4'-P-C4' energy: -212.864 flat angles P-C4'-P energy: -137.087 tors. eta vs tors. theta energy: -271.509 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: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2932.830660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.830660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.830660 (E_RNA) where: Base-Base interactions energy: -1973.267 where: short stacking energy: -906.443 Base-Backbone interact. energy: 0.557 local terms energy: -960.120332 where: bonds (distance) C4'-P energy: -184.581 bonds (distance) P-C4' energy: -179.560 flat angles C4'-P-C4' energy: -207.722 flat angles P-C4'-P energy: -141.296 tors. eta vs tors. theta energy: -246.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2807.347905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.347905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.347905 (E_RNA) where: Base-Base interactions energy: -1913.954 where: short stacking energy: -870.009 Base-Backbone interact. energy: -1.083 local terms energy: -892.311417 where: bonds (distance) C4'-P energy: -161.792 bonds (distance) P-C4' energy: -163.982 flat angles C4'-P-C4' energy: -196.731 flat angles P-C4'-P energy: -119.992 tors. eta vs tors. theta energy: -249.814 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: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2696.514081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.514081 (E_RNA) where: Base-Base interactions energy: -1790.851 where: short stacking energy: -836.216 Base-Backbone interact. energy: -2.656 local terms energy: -903.007198 where: bonds (distance) C4'-P energy: -169.121 bonds (distance) P-C4' energy: -175.692 flat angles C4'-P-C4' energy: -203.931 flat angles P-C4'-P energy: -118.277 tors. eta vs tors. theta energy: -235.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2491.179171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.179171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.179171 (E_RNA) where: Base-Base interactions energy: -1673.706 where: short stacking energy: -733.906 Base-Backbone interact. energy: -1.657 local terms energy: -815.816210 where: bonds (distance) C4'-P energy: -165.309 bonds (distance) P-C4' energy: -159.837 flat angles C4'-P-C4' energy: -182.739 flat angles P-C4'-P energy: -104.041 tors. eta vs tors. theta energy: -203.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2191.340200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.340200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.340200 (E_RNA) where: Base-Base interactions energy: -1503.824 where: short stacking energy: -674.331 Base-Backbone interact. energy: -3.100 local terms energy: -684.415947 where: bonds (distance) C4'-P energy: -132.031 bonds (distance) P-C4' energy: -124.559 flat angles C4'-P-C4' energy: -156.449 flat angles P-C4'-P energy: -97.142 tors. eta vs tors. theta energy: -174.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1830.567851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.567851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.567851 (E_RNA) where: Base-Base interactions energy: -1161.299 where: short stacking energy: -503.814 Base-Backbone interact. energy: -3.943 local terms energy: -665.325452 where: bonds (distance) C4'-P energy: -163.706 bonds (distance) P-C4' energy: -143.146 flat angles C4'-P-C4' energy: -143.687 flat angles P-C4'-P energy: -104.137 tors. eta vs tors. theta energy: -110.650 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: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1783.087933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.087933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.087933 (E_RNA) where: Base-Base interactions energy: -1160.238 where: short stacking energy: -502.321 Base-Backbone interact. energy: 3.691 local terms energy: -626.541169 where: bonds (distance) C4'-P energy: -153.508 bonds (distance) P-C4' energy: -150.739 flat angles C4'-P-C4' energy: -147.474 flat angles P-C4'-P energy: -88.057 tors. eta vs tors. theta energy: -86.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1121.166223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.166223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.166223 (E_RNA) where: Base-Base interactions energy: -584.313 where: short stacking energy: -321.768 Base-Backbone interact. energy: 0.476 local terms energy: -537.329235 where: bonds (distance) C4'-P energy: -156.446 bonds (distance) P-C4' energy: -149.424 flat angles C4'-P-C4' energy: -137.756 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -16.989 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: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -872.123590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.123590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.123590 (E_RNA) where: Base-Base interactions energy: -422.259 where: short stacking energy: -243.279 Base-Backbone interact. energy: 0.634 local terms energy: -450.498252 where: bonds (distance) C4'-P energy: -128.122 bonds (distance) P-C4' energy: -152.627 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -78.863 tors. eta vs tors. theta energy: 18.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3066.247298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.247298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.247298 (E_RNA) where: Base-Base interactions energy: -2087.989 where: short stacking energy: -930.310 Base-Backbone interact. energy: -2.664 local terms energy: -975.594258 where: bonds (distance) C4'-P energy: -187.309 bonds (distance) P-C4' energy: -177.496 flat angles C4'-P-C4' energy: -207.642 flat angles P-C4'-P energy: -136.279 tors. eta vs tors. theta energy: -266.869 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: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2933.467221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.467221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.467221 (E_RNA) where: Base-Base interactions energy: -2026.334 where: short stacking energy: -902.969 Base-Backbone interact. energy: 3.236 local terms energy: -910.369143 where: bonds (distance) C4'-P energy: -172.455 bonds (distance) P-C4' energy: -156.368 flat angles C4'-P-C4' energy: -194.716 flat angles P-C4'-P energy: -141.477 tors. eta vs tors. theta energy: -245.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2818.149790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.149790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.149790 (E_RNA) where: Base-Base interactions energy: -1870.554 where: short stacking energy: -870.607 Base-Backbone interact. energy: 0.518 local terms energy: -948.113379 where: bonds (distance) C4'-P energy: -179.361 bonds (distance) P-C4' energy: -181.258 flat angles C4'-P-C4' energy: -191.451 flat angles P-C4'-P energy: -135.512 tors. eta vs tors. theta energy: -260.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2674.562521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.562521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.562521 (E_RNA) where: Base-Base interactions energy: -1807.104 where: short stacking energy: -826.801 Base-Backbone interact. energy: -2.984 local terms energy: -864.475068 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -183.487 flat angles C4'-P-C4' energy: -185.987 flat angles P-C4'-P energy: -110.859 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: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2449.357323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.357323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.357323 (E_RNA) where: Base-Base interactions energy: -1656.022 where: short stacking energy: -735.043 Base-Backbone interact. energy: -1.329 local terms energy: -792.005922 where: bonds (distance) C4'-P energy: -160.887 bonds (distance) P-C4' energy: -149.862 flat angles C4'-P-C4' energy: -177.739 flat angles P-C4'-P energy: -114.911 tors. eta vs tors. theta energy: -188.607 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: 312 Temperature: 1.150000 Total energy: -2170.222345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.222345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.222345 (E_RNA) where: Base-Base interactions energy: -1432.670 where: short stacking energy: -615.101 Base-Backbone interact. energy: -3.552 local terms energy: -733.999872 where: bonds (distance) C4'-P energy: -158.897 bonds (distance) P-C4' energy: -163.977 flat angles C4'-P-C4' energy: -171.233 flat angles P-C4'-P energy: -81.690 tors. eta vs tors. theta energy: -158.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1878.258915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.258915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.258915 (E_RNA) where: Base-Base interactions energy: -1199.225 where: short stacking energy: -569.975 Base-Backbone interact. energy: 7.760 local terms energy: -686.794070 where: bonds (distance) C4'-P energy: -153.651 bonds (distance) P-C4' energy: -165.488 flat angles C4'-P-C4' energy: -151.743 flat angles P-C4'-P energy: -106.083 tors. eta vs tors. theta energy: -109.829 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1779.565152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.565152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.565152 (E_RNA) where: Base-Base interactions energy: -1153.733 where: short stacking energy: -512.996 Base-Backbone interact. energy: 3.207 local terms energy: -629.039172 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -162.144 flat angles C4'-P-C4' energy: -147.104 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -95.732 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: 312 Temperature: 1.300000 Total energy: -1129.022413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.022413 (E_RNA) where: Base-Base interactions energy: -585.276 where: short stacking energy: -306.291 Base-Backbone interact. energy: -0.241 local terms energy: -543.504740 where: bonds (distance) C4'-P energy: -155.308 bonds (distance) P-C4' energy: -151.761 flat angles C4'-P-C4' energy: -113.879 flat angles P-C4'-P energy: -92.058 tors. eta vs tors. theta energy: -30.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -921.080843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.080843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.080843 (E_RNA) where: Base-Base interactions energy: -471.049 where: short stacking energy: -258.042 Base-Backbone interact. energy: -1.076 local terms energy: -448.956592 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -129.903 flat angles C4'-P-C4' energy: -126.645 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: 20.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3073.035480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.035480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.035480 (E_RNA) where: Base-Base interactions energy: -2123.669 where: short stacking energy: -927.249 Base-Backbone interact. energy: -0.989 local terms energy: -948.376807 where: bonds (distance) C4'-P energy: -173.539 bonds (distance) P-C4' energy: -190.430 flat angles C4'-P-C4' energy: -192.634 flat angles P-C4'-P energy: -132.593 tors. eta vs tors. theta energy: -259.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2953.344198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.344198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.344198 (E_RNA) where: Base-Base interactions energy: -2003.565 where: short stacking energy: -902.941 Base-Backbone interact. energy: -3.462 local terms energy: -946.316877 where: bonds (distance) C4'-P energy: -188.229 bonds (distance) P-C4' energy: -181.078 flat angles C4'-P-C4' energy: -190.527 flat angles P-C4'-P energy: -126.113 tors. eta vs tors. theta energy: -260.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2827.810658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.810658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.810658 (E_RNA) where: Base-Base interactions energy: -1927.216 where: short stacking energy: -879.814 Base-Backbone interact. energy: 1.606 local terms energy: -902.200814 where: bonds (distance) C4'-P energy: -160.450 bonds (distance) P-C4' energy: -165.628 flat angles C4'-P-C4' energy: -202.212 flat angles P-C4'-P energy: -121.889 tors. eta vs tors. theta energy: -252.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2670.662671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.662671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.662671 (E_RNA) where: Base-Base interactions energy: -1789.402 where: short stacking energy: -820.762 Base-Backbone interact. energy: -2.760 local terms energy: -878.501146 where: bonds (distance) C4'-P energy: -147.739 bonds (distance) P-C4' energy: -158.555 flat angles C4'-P-C4' energy: -204.070 flat angles P-C4'-P energy: -122.878 tors. eta vs tors. theta energy: -245.260 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: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2471.096883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.096883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.096883 (E_RNA) where: Base-Base interactions energy: -1645.603 where: short stacking energy: -748.376 Base-Backbone interact. energy: -2.427 local terms energy: -823.066343 where: bonds (distance) C4'-P energy: -143.647 bonds (distance) P-C4' energy: -170.177 flat angles C4'-P-C4' energy: -181.853 flat angles P-C4'-P energy: -124.074 tors. eta vs tors. theta energy: -203.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2151.574828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.574828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.574828 (E_RNA) where: Base-Base interactions energy: -1429.005 where: short stacking energy: -623.610 Base-Backbone interact. energy: -4.270 local terms energy: -718.300022 where: bonds (distance) C4'-P energy: -155.187 bonds (distance) P-C4' energy: -170.789 flat angles C4'-P-C4' energy: -160.921 flat angles P-C4'-P energy: -91.306 tors. eta vs tors. theta energy: -140.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1912.899206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.899206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.899206 (E_RNA) where: Base-Base interactions energy: -1232.780 where: short stacking energy: -609.363 Base-Backbone interact. energy: -0.079 local terms energy: -680.039942 where: bonds (distance) C4'-P energy: -148.126 bonds (distance) P-C4' energy: -167.004 flat angles C4'-P-C4' energy: -165.642 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: -119.809 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1751.488113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.488113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.488113 (E_RNA) where: Base-Base interactions energy: -1108.469 where: short stacking energy: -489.932 Base-Backbone interact. energy: -2.583 local terms energy: -640.435584 where: bonds (distance) C4'-P energy: -136.412 bonds (distance) P-C4' energy: -165.980 flat angles C4'-P-C4' energy: -153.200 flat angles P-C4'-P energy: -97.504 tors. eta vs tors. theta energy: -87.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1062.900990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.900990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.900990 (E_RNA) where: Base-Base interactions energy: -565.625 where: short stacking energy: -286.132 Base-Backbone interact. energy: 1.093 local terms energy: -498.368364 where: bonds (distance) C4'-P energy: -148.897 bonds (distance) P-C4' energy: -130.069 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -77.966 tors. eta vs tors. theta energy: 5.193 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: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -908.162172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.162172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.162172 (E_RNA) where: Base-Base interactions energy: -461.420 where: short stacking energy: -266.446 Base-Backbone interact. energy: 2.865 local terms energy: -449.607064 where: bonds (distance) C4'-P energy: -110.863 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -106.335 flat angles P-C4'-P energy: -81.335 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3055.638459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.638459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.638459 (E_RNA) where: Base-Base interactions energy: -2112.748 where: short stacking energy: -929.915 Base-Backbone interact. energy: -3.100 local terms energy: -939.790293 where: bonds (distance) C4'-P energy: -162.785 bonds (distance) P-C4' energy: -164.669 flat angles C4'-P-C4' energy: -217.648 flat angles P-C4'-P energy: -130.836 tors. eta vs tors. theta energy: -263.853 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: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2946.606329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.606329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.606329 (E_RNA) where: Base-Base interactions energy: -1961.047 where: short stacking energy: -875.471 Base-Backbone interact. energy: 2.739 local terms energy: -988.297569 where: bonds (distance) C4'-P energy: -185.391 bonds (distance) P-C4' energy: -182.338 flat angles C4'-P-C4' energy: -226.326 flat angles P-C4'-P energy: -144.666 tors. eta vs tors. theta energy: -249.577 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: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2777.599890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.599890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.599890 (E_RNA) where: Base-Base interactions energy: -1920.982 where: short stacking energy: -883.665 Base-Backbone interact. energy: -2.501 local terms energy: -854.117589 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -149.006 flat angles C4'-P-C4' energy: -186.156 flat angles P-C4'-P energy: -121.090 tors. eta vs tors. theta energy: -260.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2612.305112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.305112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.305112 (E_RNA) where: Base-Base interactions energy: -1766.903 where: short stacking energy: -814.800 Base-Backbone interact. energy: -0.128 local terms energy: -845.274324 where: bonds (distance) C4'-P energy: -161.932 bonds (distance) P-C4' energy: -165.704 flat angles C4'-P-C4' energy: -192.057 flat angles P-C4'-P energy: -109.191 tors. eta vs tors. theta energy: -216.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2485.058347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.058347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.058347 (E_RNA) where: Base-Base interactions energy: -1690.040 where: short stacking energy: -763.215 Base-Backbone interact. energy: -5.907 local terms energy: -789.111738 where: bonds (distance) C4'-P energy: -164.543 bonds (distance) P-C4' energy: -151.986 flat angles C4'-P-C4' energy: -164.975 flat angles P-C4'-P energy: -124.006 tors. eta vs tors. theta energy: -183.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2141.154151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.154151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.154151 (E_RNA) where: Base-Base interactions energy: -1423.151 where: short stacking energy: -619.953 Base-Backbone interact. energy: -3.026 local terms energy: -714.977383 where: bonds (distance) C4'-P energy: -149.991 bonds (distance) P-C4' energy: -158.573 flat angles C4'-P-C4' energy: -165.931 flat angles P-C4'-P energy: -98.060 tors. eta vs tors. theta energy: -142.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1857.293192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.293192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.293192 (E_RNA) where: Base-Base interactions energy: -1198.939 where: short stacking energy: -566.264 Base-Backbone interact. energy: 2.372 local terms energy: -660.725567 where: bonds (distance) C4'-P energy: -126.351 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -159.404 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -122.972 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: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1619.480552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.480552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.480552 (E_RNA) where: Base-Base interactions energy: -1036.419 where: short stacking energy: -481.437 Base-Backbone interact. energy: 3.700 local terms energy: -586.762024 where: bonds (distance) C4'-P energy: -124.557 bonds (distance) P-C4' energy: -148.430 flat angles C4'-P-C4' energy: -170.655 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -70.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1059.646836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.646836 (E_RNA) where: Base-Base interactions energy: -534.826 where: short stacking energy: -308.270 Base-Backbone interact. energy: -2.162 local terms energy: -522.658725 where: bonds (distance) C4'-P energy: -142.884 bonds (distance) P-C4' energy: -141.652 flat angles C4'-P-C4' energy: -136.313 flat angles P-C4'-P energy: -95.651 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -949.055800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.055800 (E_RNA) where: Base-Base interactions energy: -487.851 where: short stacking energy: -298.951 Base-Backbone interact. energy: -1.307 local terms energy: -459.897308 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -14.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3078.750353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.750353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.750353 (E_RNA) where: Base-Base interactions energy: -2120.785 where: short stacking energy: -948.725 Base-Backbone interact. energy: -1.410 local terms energy: -956.555559 where: bonds (distance) C4'-P energy: -185.578 bonds (distance) P-C4' energy: -177.400 flat angles C4'-P-C4' energy: -185.392 flat angles P-C4'-P energy: -141.090 tors. eta vs tors. theta energy: -267.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2990.610024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.610024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.610024 (E_RNA) where: Base-Base interactions energy: -2053.951 where: short stacking energy: -900.186 Base-Backbone interact. energy: -0.966 local terms energy: -935.693139 where: bonds (distance) C4'-P energy: -165.040 bonds (distance) P-C4' energy: -184.456 flat angles C4'-P-C4' energy: -188.563 flat angles P-C4'-P energy: -144.321 tors. eta vs tors. theta energy: -253.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2800.395207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.395207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.395207 (E_RNA) where: Base-Base interactions energy: -1883.494 where: short stacking energy: -868.946 Base-Backbone interact. energy: -0.375 local terms energy: -916.526019 where: bonds (distance) C4'-P energy: -153.226 bonds (distance) P-C4' energy: -173.466 flat angles C4'-P-C4' energy: -201.691 flat angles P-C4'-P energy: -128.127 tors. eta vs tors. theta energy: -260.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2625.228507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.228507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.228507 (E_RNA) where: Base-Base interactions energy: -1751.601 where: short stacking energy: -789.974 Base-Backbone interact. energy: -5.279 local terms energy: -868.348531 where: bonds (distance) C4'-P energy: -152.227 bonds (distance) P-C4' energy: -158.305 flat angles C4'-P-C4' energy: -197.008 flat angles P-C4'-P energy: -125.859 tors. eta vs tors. theta energy: -234.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2473.244980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.244980 (E_RNA) where: Base-Base interactions energy: -1635.712 where: short stacking energy: -721.658 Base-Backbone interact. energy: -1.384 local terms energy: -836.148990 where: bonds (distance) C4'-P energy: -172.396 bonds (distance) P-C4' energy: -182.978 flat angles C4'-P-C4' energy: -184.389 flat angles P-C4'-P energy: -100.956 tors. eta vs tors. theta energy: -195.430 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: 315 Temperature: 1.150000 Total energy: -2156.396365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.396365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.396365 (E_RNA) where: Base-Base interactions energy: -1427.705 where: short stacking energy: -664.863 Base-Backbone interact. energy: 1.093 local terms energy: -729.784292 where: bonds (distance) C4'-P energy: -136.411 bonds (distance) P-C4' energy: -146.998 flat angles C4'-P-C4' energy: -167.702 flat angles P-C4'-P energy: -118.947 tors. eta vs tors. theta energy: -159.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1929.463342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.463342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.463342 (E_RNA) where: Base-Base interactions energy: -1282.220 where: short stacking energy: -579.898 Base-Backbone interact. energy: 4.721 local terms energy: -651.964688 where: bonds (distance) C4'-P energy: -126.582 bonds (distance) P-C4' energy: -143.677 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -128.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1703.895430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.895430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.895430 (E_RNA) where: Base-Base interactions energy: -1036.298 where: short stacking energy: -513.697 Base-Backbone interact. energy: 2.549 local terms energy: -670.146641 where: bonds (distance) C4'-P energy: -147.740 bonds (distance) P-C4' energy: -166.322 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -109.372 tors. eta vs tors. theta energy: -103.397 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: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1023.296909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.296909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.296909 (E_RNA) where: Base-Base interactions energy: -550.082 where: short stacking energy: -293.412 Base-Backbone interact. energy: -2.235 local terms energy: -470.979736 where: bonds (distance) C4'-P energy: -131.663 bonds (distance) P-C4' energy: -142.060 flat angles C4'-P-C4' energy: -121.331 flat angles P-C4'-P energy: -82.841 tors. eta vs tors. theta energy: 6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -954.266480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.266480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.266480 (E_RNA) where: Base-Base interactions energy: -466.010 where: short stacking energy: -257.502 Base-Backbone interact. energy: 2.737 local terms energy: -490.994246 where: bonds (distance) C4'-P energy: -142.230 bonds (distance) P-C4' energy: -133.502 flat angles C4'-P-C4' energy: -112.779 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3085.324193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.324193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.324193 (E_RNA) where: Base-Base interactions energy: -2107.777 where: short stacking energy: -915.605 Base-Backbone interact. energy: -3.664 local terms energy: -973.882980 where: bonds (distance) C4'-P energy: -175.432 bonds (distance) P-C4' energy: -182.180 flat angles C4'-P-C4' energy: -218.353 flat angles P-C4'-P energy: -137.784 tors. eta vs tors. theta energy: -260.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2963.646005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.646005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.646005 (E_RNA) where: Base-Base interactions energy: -2016.386 where: short stacking energy: -894.022 Base-Backbone interact. energy: -5.056 local terms energy: -942.203951 where: bonds (distance) C4'-P energy: -170.122 bonds (distance) P-C4' energy: -169.881 flat angles C4'-P-C4' energy: -203.401 flat angles P-C4'-P energy: -141.113 tors. eta vs tors. theta energy: -257.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2836.838897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.838897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.838897 (E_RNA) where: Base-Base interactions energy: -1940.736 where: short stacking energy: -895.823 Base-Backbone interact. energy: -0.921 local terms energy: -895.182105 where: bonds (distance) C4'-P energy: -159.056 bonds (distance) P-C4' energy: -158.690 flat angles C4'-P-C4' energy: -195.228 flat angles P-C4'-P energy: -129.363 tors. eta vs tors. theta energy: -252.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2622.459979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.459979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.459979 (E_RNA) where: Base-Base interactions energy: -1767.369 where: short stacking energy: -792.524 Base-Backbone interact. energy: -0.376 local terms energy: -854.714547 where: bonds (distance) C4'-P energy: -153.268 bonds (distance) P-C4' energy: -165.659 flat angles C4'-P-C4' energy: -186.477 flat angles P-C4'-P energy: -126.113 tors. eta vs tors. theta energy: -223.198 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: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2489.207232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.207232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.207232 (E_RNA) where: Base-Base interactions energy: -1684.587 where: short stacking energy: -742.342 Base-Backbone interact. energy: -3.426 local terms energy: -801.194292 where: bonds (distance) C4'-P energy: -155.368 bonds (distance) P-C4' energy: -152.518 flat angles C4'-P-C4' energy: -180.901 flat angles P-C4'-P energy: -120.880 tors. eta vs tors. theta energy: -191.528 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: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2127.638143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.638143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.638143 (E_RNA) where: Base-Base interactions energy: -1390.008 where: short stacking energy: -627.651 Base-Backbone interact. energy: 4.836 local terms energy: -742.466346 where: bonds (distance) C4'-P energy: -137.423 bonds (distance) P-C4' energy: -161.098 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -116.041 tors. eta vs tors. theta energy: -165.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1997.480797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.480797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.480797 (E_RNA) where: Base-Base interactions energy: -1282.349 where: short stacking energy: -580.212 Base-Backbone interact. energy: 5.115 local terms energy: -720.247222 where: bonds (distance) C4'-P energy: -160.156 bonds (distance) P-C4' energy: -158.347 flat angles C4'-P-C4' energy: -163.000 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -134.191 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: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1693.943940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.943940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.943940 (E_RNA) where: Base-Base interactions energy: -1078.406 where: short stacking energy: -471.046 Base-Backbone interact. energy: -0.945 local terms energy: -614.592917 where: bonds (distance) C4'-P energy: -156.594 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -143.255 flat angles P-C4'-P energy: -108.976 tors. eta vs tors. theta energy: -67.378 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: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1016.653189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.653189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.653189 (E_RNA) where: Base-Base interactions energy: -499.113 where: short stacking energy: -297.899 Base-Backbone interact. energy: 5.932 local terms energy: -523.472139 where: bonds (distance) C4'-P energy: -145.790 bonds (distance) P-C4' energy: -163.104 flat angles C4'-P-C4' energy: -118.901 flat angles P-C4'-P energy: -64.041 tors. eta vs tors. theta energy: -31.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -940.771354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.771354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.771354 (E_RNA) where: Base-Base interactions energy: -441.162 where: short stacking energy: -263.358 Base-Backbone interact. energy: 4.540 local terms energy: -504.149300 where: bonds (distance) C4'-P energy: -147.443 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -129.638 flat angles P-C4'-P energy: -84.929 tors. eta vs tors. theta energy: 10.648 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: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3043.416468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.416468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.416468 (E_RNA) where: Base-Base interactions energy: -2077.392 where: short stacking energy: -903.222 Base-Backbone interact. energy: -7.164 local terms energy: -958.860142 where: bonds (distance) C4'-P energy: -175.866 bonds (distance) P-C4' energy: -191.448 flat angles C4'-P-C4' energy: -201.927 flat angles P-C4'-P energy: -127.104 tors. eta vs tors. theta energy: -262.515 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: 2, replica: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2952.408154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.408154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.408154 (E_RNA) where: Base-Base interactions energy: -2007.594 where: short stacking energy: -921.520 Base-Backbone interact. energy: -1.717 local terms energy: -943.097113 where: bonds (distance) C4'-P energy: -169.099 bonds (distance) P-C4' energy: -178.526 flat angles C4'-P-C4' energy: -193.663 flat angles P-C4'-P energy: -130.246 tors. eta vs tors. theta energy: -271.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2860.113054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.113054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.113054 (E_RNA) where: Base-Base interactions energy: -1933.476 where: short stacking energy: -919.099 Base-Backbone interact. energy: -2.938 local terms energy: -923.699616 where: bonds (distance) C4'-P energy: -145.367 bonds (distance) P-C4' energy: -179.823 flat angles C4'-P-C4' energy: -198.849 flat angles P-C4'-P energy: -132.383 tors. eta vs tors. theta energy: -267.278 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: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2682.883903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.883903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.883903 (E_RNA) where: Base-Base interactions energy: -1844.434 where: short stacking energy: -800.276 Base-Backbone interact. energy: -0.711 local terms energy: -837.738690 where: bonds (distance) C4'-P energy: -161.639 bonds (distance) P-C4' energy: -177.466 flat angles C4'-P-C4' energy: -162.572 flat angles P-C4'-P energy: -130.462 tors. eta vs tors. theta energy: -205.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2450.315966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.315966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.315966 (E_RNA) where: Base-Base interactions energy: -1606.390 where: short stacking energy: -702.022 Base-Backbone interact. energy: -0.156 local terms energy: -843.770425 where: bonds (distance) C4'-P energy: -157.431 bonds (distance) P-C4' energy: -165.445 flat angles C4'-P-C4' energy: -191.092 flat angles P-C4'-P energy: -129.596 tors. eta vs tors. theta energy: -200.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2162.413621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.413621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.413621 (E_RNA) where: Base-Base interactions energy: -1435.086 where: short stacking energy: -589.243 Base-Backbone interact. energy: 2.571 local terms energy: -729.898419 where: bonds (distance) C4'-P energy: -151.489 bonds (distance) P-C4' energy: -162.374 flat angles C4'-P-C4' energy: -174.606 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -133.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1958.683938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.683938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.683938 (E_RNA) where: Base-Base interactions energy: -1285.493 where: short stacking energy: -572.749 Base-Backbone interact. energy: -1.298 local terms energy: -671.893125 where: bonds (distance) C4'-P energy: -145.780 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -171.289 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -121.159 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1701.961407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.961407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.961407 (E_RNA) where: Base-Base interactions energy: -1087.962 where: short stacking energy: -506.737 Base-Backbone interact. energy: 0.635 local terms energy: -614.634340 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -139.667 flat angles C4'-P-C4' energy: -157.578 flat angles P-C4'-P energy: -74.067 tors. eta vs tors. theta energy: -108.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -935.023140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.023140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.023140 (E_RNA) where: Base-Base interactions energy: -420.192 where: short stacking energy: -268.071 Base-Backbone interact. energy: -2.892 local terms energy: -511.940007 where: bonds (distance) C4'-P energy: -128.565 bonds (distance) P-C4' energy: -165.633 flat angles C4'-P-C4' energy: -128.668 flat angles P-C4'-P energy: -93.610 tors. eta vs tors. theta energy: 4.536 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: 10, replica: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -957.024175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.024175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.024175 (E_RNA) where: Base-Base interactions energy: -488.574 where: short stacking energy: -273.807 Base-Backbone interact. energy: 1.744 local terms energy: -470.194292 where: bonds (distance) C4'-P energy: -146.422 bonds (distance) P-C4' energy: -155.374 flat angles C4'-P-C4' energy: -117.684 flat angles P-C4'-P energy: -57.615 tors. eta vs tors. theta energy: 6.901 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: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3101.630096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.630096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.630096 (E_RNA) where: Base-Base interactions energy: -2109.583 where: short stacking energy: -957.728 Base-Backbone interact. energy: -3.415 local terms energy: -988.632162 where: bonds (distance) C4'-P energy: -177.056 bonds (distance) P-C4' energy: -188.242 flat angles C4'-P-C4' energy: -204.782 flat angles P-C4'-P energy: -140.531 tors. eta vs tors. theta energy: -278.022 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: 318 Temperature: 0.950000 Total energy: -2979.431386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.431386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.431386 (E_RNA) where: Base-Base interactions energy: -2042.371 where: short stacking energy: -925.178 Base-Backbone interact. energy: -4.079 local terms energy: -932.981015 where: bonds (distance) C4'-P energy: -176.571 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -194.686 flat angles P-C4'-P energy: -125.573 tors. eta vs tors. theta energy: -269.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2846.452531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.452531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.452531 (E_RNA) where: Base-Base interactions energy: -1885.403 where: short stacking energy: -910.060 Base-Backbone interact. energy: -2.872 local terms energy: -958.178449 where: bonds (distance) C4'-P energy: -177.931 bonds (distance) P-C4' energy: -171.677 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -132.990 tors. eta vs tors. theta energy: -286.657 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: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2676.559940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.559940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.559940 (E_RNA) where: Base-Base interactions energy: -1838.959 where: short stacking energy: -820.776 Base-Backbone interact. energy: -2.328 local terms energy: -835.272651 where: bonds (distance) C4'-P energy: -151.147 bonds (distance) P-C4' energy: -166.338 flat angles C4'-P-C4' energy: -172.665 flat angles P-C4'-P energy: -125.024 tors. eta vs tors. theta energy: -220.099 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: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2456.858036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.858036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.858036 (E_RNA) where: Base-Base interactions energy: -1647.607 where: short stacking energy: -717.000 Base-Backbone interact. energy: -0.288 local terms energy: -808.963506 where: bonds (distance) C4'-P energy: -168.251 bonds (distance) P-C4' energy: -161.734 flat angles C4'-P-C4' energy: -175.253 flat angles P-C4'-P energy: -116.741 tors. eta vs tors. theta energy: -186.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2311.674248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.674248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.674248 (E_RNA) where: Base-Base interactions energy: -1529.487 where: short stacking energy: -695.180 Base-Backbone interact. energy: -3.170 local terms energy: -779.017031 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -157.147 flat angles C4'-P-C4' energy: -189.903 flat angles P-C4'-P energy: -117.019 tors. eta vs tors. theta energy: -186.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1974.763802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.763802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.763802 (E_RNA) where: Base-Base interactions energy: -1298.089 where: short stacking energy: -564.486 Base-Backbone interact. energy: 4.876 local terms energy: -681.551567 where: bonds (distance) C4'-P energy: -151.153 bonds (distance) P-C4' energy: -146.006 flat angles C4'-P-C4' energy: -158.543 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -119.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1725.783092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.783092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.783092 (E_RNA) where: Base-Base interactions energy: -1096.376 where: short stacking energy: -550.379 Base-Backbone interact. energy: 0.274 local terms energy: -629.681103 where: bonds (distance) C4'-P energy: -121.791 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -138.623 flat angles P-C4'-P energy: -86.213 tors. eta vs tors. theta energy: -123.959 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: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -969.259400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.259400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.259400 (E_RNA) where: Base-Base interactions energy: -463.261 where: short stacking energy: -288.452 Base-Backbone interact. energy: 7.847 local terms energy: -513.845081 where: bonds (distance) C4'-P energy: -168.438 bonds (distance) P-C4' energy: -151.914 flat angles C4'-P-C4' energy: -127.017 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -13.321 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: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -857.800690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.800690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.800690 (E_RNA) where: Base-Base interactions energy: -427.585 where: short stacking energy: -273.133 Base-Backbone interact. energy: 9.425 local terms energy: -439.640098 where: bonds (distance) C4'-P energy: -125.847 bonds (distance) P-C4' energy: -153.891 flat angles C4'-P-C4' energy: -120.845 flat angles P-C4'-P energy: -55.140 tors. eta vs tors. theta energy: 16.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3029.835899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.835899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.835899 (E_RNA) where: Base-Base interactions energy: -2046.298 where: short stacking energy: -932.830 Base-Backbone interact. energy: -4.558 local terms energy: -978.980234 where: bonds (distance) C4'-P energy: -191.357 bonds (distance) P-C4' energy: -187.926 flat angles C4'-P-C4' energy: -191.243 flat angles P-C4'-P energy: -144.692 tors. eta vs tors. theta energy: -263.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2980.024942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.024942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.024942 (E_RNA) where: Base-Base interactions energy: -2046.291 where: short stacking energy: -897.525 Base-Backbone interact. energy: -2.994 local terms energy: -930.740006 where: bonds (distance) C4'-P energy: -161.773 bonds (distance) P-C4' energy: -172.663 flat angles C4'-P-C4' energy: -208.351 flat angles P-C4'-P energy: -133.328 tors. eta vs tors. theta energy: -254.624 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: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2819.016795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.016795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.016795 (E_RNA) where: Base-Base interactions energy: -1888.942 where: short stacking energy: -879.543 Base-Backbone interact. energy: -2.488 local terms energy: -927.586173 where: bonds (distance) C4'-P energy: -179.868 bonds (distance) P-C4' energy: -161.356 flat angles C4'-P-C4' energy: -182.335 flat angles P-C4'-P energy: -131.924 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: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2668.564899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.564899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.564899 (E_RNA) where: Base-Base interactions energy: -1819.429 where: short stacking energy: -782.002 Base-Backbone interact. energy: 3.622 local terms energy: -852.758067 where: bonds (distance) C4'-P energy: -170.761 bonds (distance) P-C4' energy: -162.140 flat angles C4'-P-C4' energy: -179.321 flat angles P-C4'-P energy: -125.261 tors. eta vs tors. theta energy: -215.275 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: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2445.874908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.874908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.874908 (E_RNA) where: Base-Base interactions energy: -1705.158 where: short stacking energy: -742.752 Base-Backbone interact. energy: -0.911 local terms energy: -739.805729 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -149.893 flat angles C4'-P-C4' energy: -170.299 flat angles P-C4'-P energy: -112.479 tors. eta vs tors. theta energy: -183.161 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: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2248.669431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.669431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.669431 (E_RNA) where: Base-Base interactions energy: -1501.073 where: short stacking energy: -624.288 Base-Backbone interact. energy: -0.392 local terms energy: -747.204887 where: bonds (distance) C4'-P energy: -155.411 bonds (distance) P-C4' energy: -151.451 flat angles C4'-P-C4' energy: -170.000 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -158.769 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: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1975.324642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.324642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.324642 (E_RNA) where: Base-Base interactions energy: -1276.756 where: short stacking energy: -580.458 Base-Backbone interact. energy: 2.309 local terms energy: -700.877078 where: bonds (distance) C4'-P energy: -149.983 bonds (distance) P-C4' energy: -169.968 flat angles C4'-P-C4' energy: -163.790 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -137.357 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: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1708.260049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.260049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.260049 (E_RNA) where: Base-Base interactions energy: -1056.202 where: short stacking energy: -527.682 Base-Backbone interact. energy: -3.222 local terms energy: -648.836215 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -148.479 flat angles C4'-P-C4' energy: -160.145 flat angles P-C4'-P energy: -81.950 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1020.079233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.079233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.079233 (E_RNA) where: Base-Base interactions energy: -500.216 where: short stacking energy: -272.425 Base-Backbone interact. energy: -3.951 local terms energy: -515.912124 where: bonds (distance) C4'-P energy: -145.376 bonds (distance) P-C4' energy: -163.453 flat angles C4'-P-C4' energy: -117.706 flat angles P-C4'-P energy: -78.111 tors. eta vs tors. theta energy: -11.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -848.184082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.184082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.184082 (E_RNA) where: Base-Base interactions energy: -423.467 where: short stacking energy: -248.434 Base-Backbone interact. energy: 1.238 local terms energy: -425.955486 where: bonds (distance) C4'-P energy: -136.953 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -103.914 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: 20.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3061.177662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.177662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.177662 (E_RNA) where: Base-Base interactions energy: -2106.788 where: short stacking energy: -951.047 Base-Backbone interact. energy: -0.920 local terms energy: -953.469799 where: bonds (distance) C4'-P energy: -173.073 bonds (distance) P-C4' energy: -172.922 flat angles C4'-P-C4' energy: -197.124 flat angles P-C4'-P energy: -145.392 tors. eta vs tors. theta energy: -264.959 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: 320 Temperature: 0.950000 Total energy: -2916.371106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.371106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.371106 (E_RNA) where: Base-Base interactions energy: -2000.875 where: short stacking energy: -898.310 Base-Backbone interact. energy: -2.546 local terms energy: -912.950150 where: bonds (distance) C4'-P energy: -152.926 bonds (distance) P-C4' energy: -183.074 flat angles C4'-P-C4' energy: -203.527 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -267.214 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: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2831.700338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.700338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.700338 (E_RNA) where: Base-Base interactions energy: -1916.680 where: short stacking energy: -873.022 Base-Backbone interact. energy: -1.706 local terms energy: -913.314150 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -171.405 flat angles C4'-P-C4' energy: -200.013 flat angles P-C4'-P energy: -130.524 tors. eta vs tors. theta energy: -256.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2695.955785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.955785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.955785 (E_RNA) where: Base-Base interactions energy: -1837.497 where: short stacking energy: -804.672 Base-Backbone interact. energy: -3.193 local terms energy: -855.265580 where: bonds (distance) C4'-P energy: -146.988 bonds (distance) P-C4' energy: -180.152 flat angles C4'-P-C4' energy: -192.646 flat angles P-C4'-P energy: -121.076 tors. eta vs tors. theta energy: -214.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2531.693360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.693360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.693360 (E_RNA) where: Base-Base interactions energy: -1682.086 where: short stacking energy: -766.075 Base-Backbone interact. energy: -1.573 local terms energy: -848.033875 where: bonds (distance) C4'-P energy: -161.112 bonds (distance) P-C4' energy: -162.211 flat angles C4'-P-C4' energy: -188.364 flat angles P-C4'-P energy: -124.703 tors. eta vs tors. theta energy: -211.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2227.501112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.501112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.501112 (E_RNA) where: Base-Base interactions energy: -1454.977 where: short stacking energy: -630.136 Base-Backbone interact. energy: -2.697 local terms energy: -769.826559 where: bonds (distance) C4'-P energy: -150.899 bonds (distance) P-C4' energy: -176.725 flat angles C4'-P-C4' energy: -181.203 flat angles P-C4'-P energy: -111.092 tors. eta vs tors. theta energy: -149.908 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: 320 Temperature: 1.200000 Total energy: -2055.986838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.986838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.986838 (E_RNA) where: Base-Base interactions energy: -1379.776 where: short stacking energy: -617.550 Base-Backbone interact. energy: -0.687 local terms energy: -675.524055 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -136.221 flat angles C4'-P-C4' energy: -164.937 flat angles P-C4'-P energy: -99.828 tors. eta vs tors. theta energy: -138.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1698.528784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.528784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.528784 (E_RNA) where: Base-Base interactions energy: -1072.464 where: short stacking energy: -488.225 Base-Backbone interact. energy: 3.547 local terms energy: -629.612235 where: bonds (distance) C4'-P energy: -152.291 bonds (distance) P-C4' energy: -147.948 flat angles C4'-P-C4' energy: -143.039 flat angles P-C4'-P energy: -92.104 tors. eta vs tors. theta energy: -94.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1068.894519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.894519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.894519 (E_RNA) where: Base-Base interactions energy: -547.759 where: short stacking energy: -291.003 Base-Backbone interact. energy: 2.105 local terms energy: -523.240964 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -138.546 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -103.282 tors. eta vs tors. theta energy: -7.566 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: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -842.314608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.314608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.314608 (E_RNA) where: Base-Base interactions energy: -398.993 where: short stacking energy: -212.487 Base-Backbone interact. energy: 2.389 local terms energy: -445.710601 where: bonds (distance) C4'-P energy: -141.113 bonds (distance) P-C4' energy: -126.283 flat angles C4'-P-C4' energy: -134.354 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: 41.989 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: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3111.007721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.007721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.007721 (E_RNA) where: Base-Base interactions energy: -2146.328 where: short stacking energy: -955.737 Base-Backbone interact. energy: 2.562 local terms energy: -967.241767 where: bonds (distance) C4'-P energy: -168.677 bonds (distance) P-C4' energy: -180.535 flat angles C4'-P-C4' energy: -197.911 flat angles P-C4'-P energy: -149.351 tors. eta vs tors. theta energy: -270.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2915.180656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.180656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.180656 (E_RNA) where: Base-Base interactions energy: -1988.886 where: short stacking energy: -880.002 Base-Backbone interact. energy: -1.110 local terms energy: -925.184919 where: bonds (distance) C4'-P energy: -160.981 bonds (distance) P-C4' energy: -170.619 flat angles C4'-P-C4' energy: -200.590 flat angles P-C4'-P energy: -141.106 tors. eta vs tors. theta energy: -251.889 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2826.164584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.164584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.164584 (E_RNA) where: Base-Base interactions energy: -1899.297 where: short stacking energy: -894.461 Base-Backbone interact. energy: -0.147 local terms energy: -926.720930 where: bonds (distance) C4'-P energy: -173.246 bonds (distance) P-C4' energy: -169.070 flat angles C4'-P-C4' energy: -189.393 flat angles P-C4'-P energy: -135.266 tors. eta vs tors. theta energy: -259.746 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: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2698.694865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.694865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.694865 (E_RNA) where: Base-Base interactions energy: -1842.482 where: short stacking energy: -837.036 Base-Backbone interact. energy: -3.593 local terms energy: -852.619544 where: bonds (distance) C4'-P energy: -145.000 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -194.844 flat angles P-C4'-P energy: -118.906 tors. eta vs tors. theta energy: -239.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2482.960549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.960549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.960549 (E_RNA) where: Base-Base interactions energy: -1640.641 where: short stacking energy: -731.071 Base-Backbone interact. energy: -4.556 local terms energy: -837.763581 where: bonds (distance) C4'-P energy: -159.441 bonds (distance) P-C4' energy: -178.647 flat angles C4'-P-C4' energy: -178.381 flat angles P-C4'-P energy: -123.138 tors. eta vs tors. theta energy: -198.157 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: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2178.915853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.915853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.915853 (E_RNA) where: Base-Base interactions energy: -1424.483 where: short stacking energy: -627.977 Base-Backbone interact. energy: -3.010 local terms energy: -751.423413 where: bonds (distance) C4'-P energy: -165.628 bonds (distance) P-C4' energy: -157.097 flat angles C4'-P-C4' energy: -170.320 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -151.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1977.241172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.241172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.241172 (E_RNA) where: Base-Base interactions energy: -1295.828 where: short stacking energy: -580.168 Base-Backbone interact. energy: 2.195 local terms energy: -683.607752 where: bonds (distance) C4'-P energy: -162.208 bonds (distance) P-C4' energy: -142.267 flat angles C4'-P-C4' energy: -147.275 flat angles P-C4'-P energy: -103.327 tors. eta vs tors. theta energy: -128.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1699.591942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.591942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.591942 (E_RNA) where: Base-Base interactions energy: -1060.879 where: short stacking energy: -505.454 Base-Backbone interact. energy: 2.163 local terms energy: -640.875965 where: bonds (distance) C4'-P energy: -150.487 bonds (distance) P-C4' energy: -148.086 flat angles C4'-P-C4' energy: -153.177 flat angles P-C4'-P energy: -89.635 tors. eta vs tors. theta energy: -99.490 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: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1091.448688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.448688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.448688 (E_RNA) where: Base-Base interactions energy: -581.455 where: short stacking energy: -308.869 Base-Backbone interact. energy: -0.651 local terms energy: -509.342255 where: bonds (distance) C4'-P energy: -130.985 bonds (distance) P-C4' energy: -157.566 flat angles C4'-P-C4' energy: -137.397 flat angles P-C4'-P energy: -78.230 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -826.683784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.683784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.683784 (E_RNA) where: Base-Base interactions energy: -373.399 where: short stacking energy: -234.783 Base-Backbone interact. energy: 5.973 local terms energy: -459.258214 where: bonds (distance) C4'-P energy: -137.659 bonds (distance) P-C4' energy: -161.814 flat angles C4'-P-C4' energy: -102.645 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: 17.027 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: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3104.007079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.007079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.007079 (E_RNA) where: Base-Base interactions energy: -2132.692 where: short stacking energy: -943.009 Base-Backbone interact. energy: -2.260 local terms energy: -969.055506 where: bonds (distance) C4'-P energy: -160.967 bonds (distance) P-C4' energy: -186.267 flat angles C4'-P-C4' energy: -201.431 flat angles P-C4'-P energy: -145.277 tors. eta vs tors. theta energy: -275.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2908.783552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.783552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.783552 (E_RNA) where: Base-Base interactions energy: -1934.595 where: short stacking energy: -861.117 Base-Backbone interact. energy: -2.668 local terms energy: -971.521359 where: bonds (distance) C4'-P energy: -168.712 bonds (distance) P-C4' energy: -196.403 flat angles C4'-P-C4' energy: -194.630 flat angles P-C4'-P energy: -149.811 tors. eta vs tors. theta energy: -261.965 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: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2833.472697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.472697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.472697 (E_RNA) where: Base-Base interactions energy: -1927.543 where: short stacking energy: -893.963 Base-Backbone interact. energy: -4.685 local terms energy: -901.244713 where: bonds (distance) C4'-P energy: -153.759 bonds (distance) P-C4' energy: -173.136 flat angles C4'-P-C4' energy: -181.283 flat angles P-C4'-P energy: -130.901 tors. eta vs tors. theta energy: -262.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2698.940458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.940458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.940458 (E_RNA) where: Base-Base interactions energy: -1817.109 where: short stacking energy: -823.424 Base-Backbone interact. energy: -1.831 local terms energy: -880.000525 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -172.068 flat angles C4'-P-C4' energy: -185.413 flat angles P-C4'-P energy: -141.407 tors. eta vs tors. theta energy: -231.209 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: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2490.378586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.378586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.378586 (E_RNA) where: Base-Base interactions energy: -1696.625 where: short stacking energy: -755.165 Base-Backbone interact. energy: -0.648 local terms energy: -793.106304 where: bonds (distance) C4'-P energy: -161.885 bonds (distance) P-C4' energy: -154.126 flat angles C4'-P-C4' energy: -159.792 flat angles P-C4'-P energy: -115.668 tors. eta vs tors. theta energy: -201.636 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: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2172.368925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.368925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.368925 (E_RNA) where: Base-Base interactions energy: -1394.019 where: short stacking energy: -623.098 Base-Backbone interact. energy: -2.134 local terms energy: -776.216134 where: bonds (distance) C4'-P energy: -172.521 bonds (distance) P-C4' energy: -162.376 flat angles C4'-P-C4' energy: -176.776 flat angles P-C4'-P energy: -102.680 tors. eta vs tors. theta energy: -161.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2035.140995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.140995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.140995 (E_RNA) where: Base-Base interactions energy: -1369.652 where: short stacking energy: -614.941 Base-Backbone interact. energy: -4.720 local terms energy: -660.768554 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -143.421 flat angles C4'-P-C4' energy: -152.170 flat angles P-C4'-P energy: -87.461 tors. eta vs tors. theta energy: -131.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1701.270244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.270244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.270244 (E_RNA) where: Base-Base interactions energy: -1068.227 where: short stacking energy: -493.812 Base-Backbone interact. energy: 0.300 local terms energy: -633.343017 where: bonds (distance) C4'-P energy: -136.663 bonds (distance) P-C4' energy: -154.616 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -97.707 tors. eta vs tors. theta energy: -98.997 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: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1111.508046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.508046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.508046 (E_RNA) where: Base-Base interactions energy: -568.463 where: short stacking energy: -303.874 Base-Backbone interact. energy: 2.312 local terms energy: -545.357228 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -158.792 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -3.139 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: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -861.572189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.572189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.572189 (E_RNA) where: Base-Base interactions energy: -408.035 where: short stacking energy: -233.831 Base-Backbone interact. energy: 0.131 local terms energy: -453.667781 where: bonds (distance) C4'-P energy: -134.042 bonds (distance) P-C4' energy: -151.026 flat angles C4'-P-C4' energy: -119.187 flat angles P-C4'-P energy: -74.696 tors. eta vs tors. theta energy: 25.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3067.782000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.782000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.782000 (E_RNA) where: Base-Base interactions energy: -2103.006 where: short stacking energy: -911.778 Base-Backbone interact. energy: -2.360 local terms energy: -962.416589 where: bonds (distance) C4'-P energy: -181.888 bonds (distance) P-C4' energy: -186.860 flat angles C4'-P-C4' energy: -195.886 flat angles P-C4'-P energy: -143.265 tors. eta vs tors. theta energy: -254.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2954.288851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.288851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.288851 (E_RNA) where: Base-Base interactions energy: -1996.429 where: short stacking energy: -882.548 Base-Backbone interact. energy: -1.715 local terms energy: -956.144712 where: bonds (distance) C4'-P energy: -171.790 bonds (distance) P-C4' energy: -179.266 flat angles C4'-P-C4' energy: -206.648 flat angles P-C4'-P energy: -134.992 tors. eta vs tors. theta energy: -263.449 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: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2790.777859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.777859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.777859 (E_RNA) where: Base-Base interactions energy: -1915.868 where: short stacking energy: -898.918 Base-Backbone interact. energy: -1.529 local terms energy: -873.380301 where: bonds (distance) C4'-P energy: -149.466 bonds (distance) P-C4' energy: -162.867 flat angles C4'-P-C4' energy: -180.565 flat angles P-C4'-P energy: -133.341 tors. eta vs tors. theta energy: -247.141 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: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2727.175703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.175703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.175703 (E_RNA) where: Base-Base interactions energy: -1849.023 where: short stacking energy: -861.720 Base-Backbone interact. energy: -3.158 local terms energy: -874.994283 where: bonds (distance) C4'-P energy: -152.914 bonds (distance) P-C4' energy: -175.042 flat angles C4'-P-C4' energy: -197.110 flat angles P-C4'-P energy: -120.885 tors. eta vs tors. theta energy: -229.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2477.691472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.691472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.691472 (E_RNA) where: Base-Base interactions energy: -1654.005 where: short stacking energy: -752.647 Base-Backbone interact. energy: -4.315 local terms energy: -819.371806 where: bonds (distance) C4'-P energy: -150.170 bonds (distance) P-C4' energy: -174.250 flat angles C4'-P-C4' energy: -165.977 flat angles P-C4'-P energy: -123.316 tors. eta vs tors. theta energy: -205.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2185.536524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.536524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.536524 (E_RNA) where: Base-Base interactions energy: -1444.452 where: short stacking energy: -618.169 Base-Backbone interact. energy: 3.597 local terms energy: -744.680760 where: bonds (distance) C4'-P energy: -155.171 bonds (distance) P-C4' energy: -168.920 flat angles C4'-P-C4' energy: -162.821 flat angles P-C4'-P energy: -102.619 tors. eta vs tors. theta energy: -155.150 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: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2006.160767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.160767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.160767 (E_RNA) where: Base-Base interactions energy: -1289.269 where: short stacking energy: -582.273 Base-Backbone interact. energy: 0.269 local terms energy: -717.161036 where: bonds (distance) C4'-P energy: -156.812 bonds (distance) P-C4' energy: -161.389 flat angles C4'-P-C4' energy: -179.516 flat angles P-C4'-P energy: -92.204 tors. eta vs tors. theta energy: -127.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1664.466582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.466582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.466582 (E_RNA) where: Base-Base interactions energy: -1036.906 where: short stacking energy: -469.640 Base-Backbone interact. energy: -2.810 local terms energy: -624.750341 where: bonds (distance) C4'-P energy: -143.181 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -155.131 flat angles P-C4'-P energy: -102.072 tors. eta vs tors. theta energy: -82.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1114.089531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.089531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.089531 (E_RNA) where: Base-Base interactions energy: -641.954 where: short stacking energy: -360.270 Base-Backbone interact. energy: 16.302 local terms energy: -488.437758 where: bonds (distance) C4'-P energy: -117.154 bonds (distance) P-C4' energy: -119.000 flat angles C4'-P-C4' energy: -156.083 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -36.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -828.714068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.714068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.714068 (E_RNA) where: Base-Base interactions energy: -389.234 where: short stacking energy: -272.649 Base-Backbone interact. energy: 2.061 local terms energy: -441.541434 where: bonds (distance) C4'-P energy: -145.483 bonds (distance) P-C4' energy: -146.517 flat angles C4'-P-C4' energy: -124.399 flat angles P-C4'-P energy: -58.567 tors. eta vs tors. theta energy: 33.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3044.627860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.627860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.627860 (E_RNA) where: Base-Base interactions energy: -2087.310 where: short stacking energy: -930.807 Base-Backbone interact. energy: 0.320 local terms energy: -957.638387 where: bonds (distance) C4'-P energy: -178.772 bonds (distance) P-C4' energy: -167.380 flat angles C4'-P-C4' energy: -204.874 flat angles P-C4'-P energy: -140.500 tors. eta vs tors. theta energy: -266.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2948.056559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.056559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.056559 (E_RNA) where: Base-Base interactions energy: -1981.214 where: short stacking energy: -927.526 Base-Backbone interact. energy: -1.336 local terms energy: -965.506258 where: bonds (distance) C4'-P energy: -171.202 bonds (distance) P-C4' energy: -176.567 flat angles C4'-P-C4' energy: -213.684 flat angles P-C4'-P energy: -138.417 tors. eta vs tors. theta energy: -265.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2831.823985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.823985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.823985 (E_RNA) where: Base-Base interactions energy: -1902.834 where: short stacking energy: -888.863 Base-Backbone interact. energy: -1.961 local terms energy: -927.029377 where: bonds (distance) C4'-P energy: -183.501 bonds (distance) P-C4' energy: -166.566 flat angles C4'-P-C4' energy: -193.836 flat angles P-C4'-P energy: -133.433 tors. eta vs tors. theta energy: -249.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2633.918835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.918835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.918835 (E_RNA) where: Base-Base interactions energy: -1770.586 where: short stacking energy: -797.699 Base-Backbone interact. energy: -2.461 local terms energy: -860.871858 where: bonds (distance) C4'-P energy: -168.861 bonds (distance) P-C4' energy: -163.401 flat angles C4'-P-C4' energy: -186.313 flat angles P-C4'-P energy: -120.820 tors. eta vs tors. theta energy: -221.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2501.778000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.778000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.778000 (E_RNA) where: Base-Base interactions energy: -1701.333 where: short stacking energy: -771.247 Base-Backbone interact. energy: -0.014 local terms energy: -800.430295 where: bonds (distance) C4'-P energy: -132.298 bonds (distance) P-C4' energy: -162.198 flat angles C4'-P-C4' energy: -174.896 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -210.503 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: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2236.600080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.600080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.600080 (E_RNA) where: Base-Base interactions energy: -1456.475 where: short stacking energy: -664.443 Base-Backbone interact. energy: -0.336 local terms energy: -779.789167 where: bonds (distance) C4'-P energy: -139.158 bonds (distance) P-C4' energy: -171.242 flat angles C4'-P-C4' energy: -191.744 flat angles P-C4'-P energy: -117.329 tors. eta vs tors. theta energy: -160.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1989.420837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.420837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.420837 (E_RNA) where: Base-Base interactions energy: -1308.646 where: short stacking energy: -564.103 Base-Backbone interact. energy: -2.485 local terms energy: -678.289535 where: bonds (distance) C4'-P energy: -155.904 bonds (distance) P-C4' energy: -138.216 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -98.232 tors. eta vs tors. theta energy: -122.035 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: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1689.299740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.299740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.299740 (E_RNA) where: Base-Base interactions energy: -1045.413 where: short stacking energy: -451.931 Base-Backbone interact. energy: -3.092 local terms energy: -640.794145 where: bonds (distance) C4'-P energy: -121.314 bonds (distance) P-C4' energy: -163.258 flat angles C4'-P-C4' energy: -152.744 flat angles P-C4'-P energy: -96.009 tors. eta vs tors. theta energy: -107.470 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: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1166.852392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.852392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.852392 (E_RNA) where: Base-Base interactions energy: -656.102 where: short stacking energy: -363.920 Base-Backbone interact. energy: -3.011 local terms energy: -507.739068 where: bonds (distance) C4'-P energy: -134.233 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -113.428 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -43.811 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: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -835.641033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.641033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.641033 (E_RNA) where: Base-Base interactions energy: -377.466 where: short stacking energy: -234.539 Base-Backbone interact. energy: 1.152 local terms energy: -459.327455 where: bonds (distance) C4'-P energy: -140.307 bonds (distance) P-C4' energy: -150.383 flat angles C4'-P-C4' energy: -111.141 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: 20.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3071.615590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.615590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.615590 (E_RNA) where: Base-Base interactions energy: -2101.456 where: short stacking energy: -948.641 Base-Backbone interact. energy: -3.097 local terms energy: -967.062988 where: bonds (distance) C4'-P energy: -171.320 bonds (distance) P-C4' energy: -176.777 flat angles C4'-P-C4' energy: -214.160 flat angles P-C4'-P energy: -137.693 tors. eta vs tors. theta energy: -267.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2960.290363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.290363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.290363 (E_RNA) where: Base-Base interactions energy: -2025.941 where: short stacking energy: -936.388 Base-Backbone interact. energy: 3.191 local terms energy: -937.540406 where: bonds (distance) C4'-P energy: -170.822 bonds (distance) P-C4' energy: -166.490 flat angles C4'-P-C4' energy: -208.187 flat angles P-C4'-P energy: -122.920 tors. eta vs tors. theta energy: -269.121 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2802.393741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.393741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.393741 (E_RNA) where: Base-Base interactions energy: -1872.149 where: short stacking energy: -856.809 Base-Backbone interact. energy: -1.825 local terms energy: -928.419657 where: bonds (distance) C4'-P energy: -181.531 bonds (distance) P-C4' energy: -160.320 flat angles C4'-P-C4' energy: -202.751 flat angles P-C4'-P energy: -132.288 tors. eta vs tors. theta energy: -251.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2697.084806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.084806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.084806 (E_RNA) where: Base-Base interactions energy: -1829.706 where: short stacking energy: -846.574 Base-Backbone interact. energy: -2.274 local terms energy: -865.104970 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -169.672 flat angles C4'-P-C4' energy: -181.164 flat angles P-C4'-P energy: -128.459 tors. eta vs tors. theta energy: -237.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2514.476009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.476009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.476009 (E_RNA) where: Base-Base interactions energy: -1707.436 where: short stacking energy: -771.409 Base-Backbone interact. energy: -2.086 local terms energy: -804.954383 where: bonds (distance) C4'-P energy: -149.391 bonds (distance) P-C4' energy: -145.452 flat angles C4'-P-C4' energy: -185.419 flat angles P-C4'-P energy: -131.660 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: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2229.625086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.625086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.625086 (E_RNA) where: Base-Base interactions energy: -1504.644 where: short stacking energy: -627.734 Base-Backbone interact. energy: -4.316 local terms energy: -720.665393 where: bonds (distance) C4'-P energy: -152.335 bonds (distance) P-C4' energy: -151.013 flat angles C4'-P-C4' energy: -185.980 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -147.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2044.662630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.662630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.662630 (E_RNA) where: Base-Base interactions energy: -1333.047 where: short stacking energy: -581.076 Base-Backbone interact. energy: 0.196 local terms energy: -711.811840 where: bonds (distance) C4'-P energy: -151.531 bonds (distance) P-C4' energy: -139.325 flat angles C4'-P-C4' energy: -187.872 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -136.786 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: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1687.403539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.403539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.403539 (E_RNA) where: Base-Base interactions energy: -1095.578 where: short stacking energy: -483.659 Base-Backbone interact. energy: -0.986 local terms energy: -590.839620 where: bonds (distance) C4'-P energy: -153.623 bonds (distance) P-C4' energy: -171.760 flat angles C4'-P-C4' energy: -143.755 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -67.254 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: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1095.398292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.398292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.398292 (E_RNA) where: Base-Base interactions energy: -547.506 where: short stacking energy: -325.987 Base-Backbone interact. energy: -1.793 local terms energy: -546.099073 where: bonds (distance) C4'-P energy: -151.492 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -134.764 flat angles P-C4'-P energy: -88.687 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -867.885243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.885243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.885243 (E_RNA) where: Base-Base interactions energy: -428.785 where: short stacking energy: -265.895 Base-Backbone interact. energy: -0.720 local terms energy: -438.380257 where: bonds (distance) C4'-P energy: -122.903 bonds (distance) P-C4' energy: -146.816 flat angles C4'-P-C4' energy: -142.156 flat angles P-C4'-P energy: -65.191 tors. eta vs tors. theta energy: 38.685 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: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3065.569316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.569316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.569316 (E_RNA) where: Base-Base interactions energy: -2106.145 where: short stacking energy: -931.327 Base-Backbone interact. energy: 2.728 local terms energy: -962.152830 where: bonds (distance) C4'-P energy: -174.446 bonds (distance) P-C4' energy: -180.688 flat angles C4'-P-C4' energy: -201.399 flat angles P-C4'-P energy: -136.519 tors. eta vs tors. theta energy: -269.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2962.473395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.473395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.473395 (E_RNA) where: Base-Base interactions energy: -2026.630 where: short stacking energy: -940.159 Base-Backbone interact. energy: -2.796 local terms energy: -933.047622 where: bonds (distance) C4'-P energy: -164.567 bonds (distance) P-C4' energy: -164.496 flat angles C4'-P-C4' energy: -201.629 flat angles P-C4'-P energy: -137.361 tors. eta vs tors. theta energy: -264.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2809.918834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.918834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.918834 (E_RNA) where: Base-Base interactions energy: -1884.794 where: short stacking energy: -879.702 Base-Backbone interact. energy: 2.450 local terms energy: -927.574468 where: bonds (distance) C4'-P energy: -172.544 bonds (distance) P-C4' energy: -171.152 flat angles C4'-P-C4' energy: -199.965 flat angles P-C4'-P energy: -128.973 tors. eta vs tors. theta energy: -254.941 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: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2721.089407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.089407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.089407 (E_RNA) where: Base-Base interactions energy: -1812.560 where: short stacking energy: -838.359 Base-Backbone interact. energy: -3.640 local terms energy: -904.889981 where: bonds (distance) C4'-P energy: -169.706 bonds (distance) P-C4' energy: -167.484 flat angles C4'-P-C4' energy: -188.412 flat angles P-C4'-P energy: -135.290 tors. eta vs tors. theta energy: -243.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2521.702183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.702183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.702183 (E_RNA) where: Base-Base interactions energy: -1715.962 where: short stacking energy: -782.010 Base-Backbone interact. energy: -3.696 local terms energy: -802.044588 where: bonds (distance) C4'-P energy: -155.009 bonds (distance) P-C4' energy: -158.373 flat angles C4'-P-C4' energy: -174.519 flat angles P-C4'-P energy: -111.134 tors. eta vs tors. theta energy: -203.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2217.872088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.872088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.872088 (E_RNA) where: Base-Base interactions energy: -1500.766 where: short stacking energy: -628.792 Base-Backbone interact. energy: -6.237 local terms energy: -710.868925 where: bonds (distance) C4'-P energy: -155.909 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -184.462 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -128.016 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: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2010.760105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.760105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.760105 (E_RNA) where: Base-Base interactions energy: -1348.951 where: short stacking energy: -608.287 Base-Backbone interact. energy: -1.493 local terms energy: -660.316304 where: bonds (distance) C4'-P energy: -139.182 bonds (distance) P-C4' energy: -145.105 flat angles C4'-P-C4' energy: -157.385 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -128.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1704.317772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.317772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.317772 (E_RNA) where: Base-Base interactions energy: -1066.713 where: short stacking energy: -503.193 Base-Backbone interact. energy: 2.891 local terms energy: -640.495570 where: bonds (distance) C4'-P energy: -141.921 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -109.756 tors. eta vs tors. theta energy: -93.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1116.848844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.848844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.848844 (E_RNA) where: Base-Base interactions energy: -639.943 where: short stacking energy: -339.841 Base-Backbone interact. energy: 7.707 local terms energy: -484.613242 where: bonds (distance) C4'-P energy: -147.872 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -118.279 flat angles P-C4'-P energy: -91.919 tors. eta vs tors. theta energy: -2.028 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: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -889.032060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.032060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.032060 (E_RNA) where: Base-Base interactions energy: -393.310 where: short stacking energy: -249.987 Base-Backbone interact. energy: -3.323 local terms energy: -492.398951 where: bonds (distance) C4'-P energy: -158.595 bonds (distance) P-C4' energy: -153.222 flat angles C4'-P-C4' energy: -128.999 flat angles P-C4'-P energy: -72.399 tors. eta vs tors. theta energy: 20.816 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: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3097.028020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.028020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.028020 (E_RNA) where: Base-Base interactions energy: -2123.966 where: short stacking energy: -940.773 Base-Backbone interact. energy: -3.468 local terms energy: -969.594439 where: bonds (distance) C4'-P energy: -182.828 bonds (distance) P-C4' energy: -177.912 flat angles C4'-P-C4' energy: -206.685 flat angles P-C4'-P energy: -138.105 tors. eta vs tors. theta energy: -264.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2932.451018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.451018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.451018 (E_RNA) where: Base-Base interactions energy: -1989.672 where: short stacking energy: -904.453 Base-Backbone interact. energy: -1.223 local terms energy: -941.555758 where: bonds (distance) C4'-P energy: -156.204 bonds (distance) P-C4' energy: -173.523 flat angles C4'-P-C4' energy: -206.627 flat angles P-C4'-P energy: -141.865 tors. eta vs tors. theta energy: -263.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2818.093693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.093693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.093693 (E_RNA) where: Base-Base interactions energy: -1918.083 where: short stacking energy: -903.189 Base-Backbone interact. energy: -2.285 local terms energy: -897.725739 where: bonds (distance) C4'-P energy: -164.835 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -199.450 flat angles P-C4'-P energy: -120.835 tors. eta vs tors. theta energy: -256.188 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: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2680.180729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.180729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.180729 (E_RNA) where: Base-Base interactions energy: -1795.123 where: short stacking energy: -823.625 Base-Backbone interact. energy: -0.628 local terms energy: -884.430248 where: bonds (distance) C4'-P energy: -148.512 bonds (distance) P-C4' energy: -161.719 flat angles C4'-P-C4' energy: -187.269 flat angles P-C4'-P energy: -142.433 tors. eta vs tors. theta energy: -244.497 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: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2526.464131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.464131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.464131 (E_RNA) where: Base-Base interactions energy: -1706.176 where: short stacking energy: -742.040 Base-Backbone interact. energy: -4.651 local terms energy: -815.637444 where: bonds (distance) C4'-P energy: -158.594 bonds (distance) P-C4' energy: -164.987 flat angles C4'-P-C4' energy: -188.720 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -184.414 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: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2225.323407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.323407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.323407 (E_RNA) where: Base-Base interactions energy: -1528.738 where: short stacking energy: -644.579 Base-Backbone interact. energy: -0.241 local terms energy: -696.344481 where: bonds (distance) C4'-P energy: -146.785 bonds (distance) P-C4' energy: -154.774 flat angles C4'-P-C4' energy: -154.923 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: -151.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1992.257096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.257096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.257096 (E_RNA) where: Base-Base interactions energy: -1281.948 where: short stacking energy: -545.074 Base-Backbone interact. energy: -0.456 local terms energy: -709.852852 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -160.784 flat angles C4'-P-C4' energy: -153.199 flat angles P-C4'-P energy: -100.801 tors. eta vs tors. theta energy: -141.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1741.036367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.036367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.036367 (E_RNA) where: Base-Base interactions energy: -1076.912 where: short stacking energy: -487.157 Base-Backbone interact. energy: 1.351 local terms energy: -665.475432 where: bonds (distance) C4'-P energy: -149.966 bonds (distance) P-C4' energy: -168.151 flat angles C4'-P-C4' energy: -179.832 flat angles P-C4'-P energy: -80.817 tors. eta vs tors. theta energy: -86.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1086.422204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.422204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.422204 (E_RNA) where: Base-Base interactions energy: -562.952 where: short stacking energy: -310.436 Base-Backbone interact. energy: 4.760 local terms energy: -528.231034 where: bonds (distance) C4'-P energy: -150.018 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -141.038 flat angles P-C4'-P energy: -86.067 tors. eta vs tors. theta energy: 3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -793.736442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.736442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.736442 (E_RNA) where: Base-Base interactions energy: -339.522 where: short stacking energy: -239.983 Base-Backbone interact. energy: -0.921 local terms energy: -453.293147 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -154.792 flat angles C4'-P-C4' energy: -129.245 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: 22.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3079.299915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.299915 (E_RNA) where: Base-Base interactions energy: -2088.676 where: short stacking energy: -906.782 Base-Backbone interact. energy: -2.283 local terms energy: -988.341679 where: bonds (distance) C4'-P energy: -188.124 bonds (distance) P-C4' energy: -184.228 flat angles C4'-P-C4' energy: -209.292 flat angles P-C4'-P energy: -138.410 tors. eta vs tors. theta energy: -268.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2972.888406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.888406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.888406 (E_RNA) where: Base-Base interactions energy: -2003.257 where: short stacking energy: -919.450 Base-Backbone interact. energy: 0.263 local terms energy: -969.894538 where: bonds (distance) C4'-P energy: -180.790 bonds (distance) P-C4' energy: -183.971 flat angles C4'-P-C4' energy: -214.079 flat angles P-C4'-P energy: -135.288 tors. eta vs tors. theta energy: -255.767 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2845.284512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.284512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.284512 (E_RNA) where: Base-Base interactions energy: -1924.516 where: short stacking energy: -888.515 Base-Backbone interact. energy: 0.679 local terms energy: -921.447125 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -175.107 flat angles C4'-P-C4' energy: -198.766 flat angles P-C4'-P energy: -131.758 tors. eta vs tors. theta energy: -261.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2703.510790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.510790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.510790 (E_RNA) where: Base-Base interactions energy: -1801.431 where: short stacking energy: -852.241 Base-Backbone interact. energy: -1.932 local terms energy: -900.148088 where: bonds (distance) C4'-P energy: -167.440 bonds (distance) P-C4' energy: -175.260 flat angles C4'-P-C4' energy: -201.249 flat angles P-C4'-P energy: -123.004 tors. eta vs tors. theta energy: -233.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2513.689253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.689253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.689253 (E_RNA) where: Base-Base interactions energy: -1716.533 where: short stacking energy: -765.265 Base-Backbone interact. energy: -2.269 local terms energy: -794.887266 where: bonds (distance) C4'-P energy: -152.749 bonds (distance) P-C4' energy: -154.030 flat angles C4'-P-C4' energy: -174.159 flat angles P-C4'-P energy: -114.878 tors. eta vs tors. theta energy: -199.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2234.234609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.234609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.234609 (E_RNA) where: Base-Base interactions energy: -1489.789 where: short stacking energy: -643.023 Base-Backbone interact. energy: -2.150 local terms energy: -742.295962 where: bonds (distance) C4'-P energy: -158.460 bonds (distance) P-C4' energy: -139.803 flat angles C4'-P-C4' energy: -174.105 flat angles P-C4'-P energy: -113.158 tors. eta vs tors. theta energy: -156.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1986.063443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.063443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.063443 (E_RNA) where: Base-Base interactions energy: -1296.863 where: short stacking energy: -560.439 Base-Backbone interact. energy: 0.392 local terms energy: -689.592917 where: bonds (distance) C4'-P energy: -143.687 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -169.997 flat angles P-C4'-P energy: -91.011 tors. eta vs tors. theta energy: -126.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1713.380107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.380107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.380107 (E_RNA) where: Base-Base interactions energy: -1079.938 where: short stacking energy: -488.664 Base-Backbone interact. energy: 2.136 local terms energy: -635.578443 where: bonds (distance) C4'-P energy: -129.964 bonds (distance) P-C4' energy: -167.291 flat angles C4'-P-C4' energy: -148.041 flat angles P-C4'-P energy: -95.775 tors. eta vs tors. theta energy: -94.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1108.257275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.257275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.257275 (E_RNA) where: Base-Base interactions energy: -616.421 where: short stacking energy: -335.624 Base-Backbone interact. energy: 5.986 local terms energy: -497.822014 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -142.134 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -853.518513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.518513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.518513 (E_RNA) where: Base-Base interactions energy: -364.726 where: short stacking energy: -251.589 Base-Backbone interact. energy: 5.799 local terms energy: -494.591313 where: bonds (distance) C4'-P energy: -162.331 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -135.299 flat angles P-C4'-P energy: -60.671 tors. eta vs tors. theta energy: 9.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3066.592876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.592876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.592876 (E_RNA) where: Base-Base interactions energy: -2079.830 where: short stacking energy: -922.588 Base-Backbone interact. energy: -3.734 local terms energy: -983.028121 where: bonds (distance) C4'-P energy: -158.466 bonds (distance) P-C4' energy: -200.930 flat angles C4'-P-C4' energy: -212.783 flat angles P-C4'-P energy: -138.389 tors. eta vs tors. theta energy: -272.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3000.732852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.732852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.732852 (E_RNA) where: Base-Base interactions energy: -2045.386 where: short stacking energy: -922.579 Base-Backbone interact. energy: 0.302 local terms energy: -955.648659 where: bonds (distance) C4'-P energy: -187.818 bonds (distance) P-C4' energy: -183.778 flat angles C4'-P-C4' energy: -188.800 flat angles P-C4'-P energy: -128.110 tors. eta vs tors. theta energy: -267.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2916.079826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.079826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.079826 (E_RNA) where: Base-Base interactions energy: -1988.775 where: short stacking energy: -894.452 Base-Backbone interact. energy: -1.051 local terms energy: -926.254148 where: bonds (distance) C4'-P energy: -158.927 bonds (distance) P-C4' energy: -184.560 flat angles C4'-P-C4' energy: -200.738 flat angles P-C4'-P energy: -128.572 tors. eta vs tors. theta energy: -253.456 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: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2694.870850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.870850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.870850 (E_RNA) where: Base-Base interactions energy: -1831.317 where: short stacking energy: -824.826 Base-Backbone interact. energy: -2.809 local terms energy: -860.744395 where: bonds (distance) C4'-P energy: -166.590 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -193.788 flat angles P-C4'-P energy: -125.275 tors. eta vs tors. theta energy: -233.171 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: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2536.327229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.327229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.327229 (E_RNA) where: Base-Base interactions energy: -1724.189 where: short stacking energy: -750.440 Base-Backbone interact. energy: -0.624 local terms energy: -811.514261 where: bonds (distance) C4'-P energy: -149.699 bonds (distance) P-C4' energy: -164.651 flat angles C4'-P-C4' energy: -174.008 flat angles P-C4'-P energy: -121.826 tors. eta vs tors. theta energy: -201.330 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: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2261.639287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.639287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.639287 (E_RNA) where: Base-Base interactions energy: -1508.057 where: short stacking energy: -655.013 Base-Backbone interact. energy: -3.651 local terms energy: -749.931190 where: bonds (distance) C4'-P energy: -148.136 bonds (distance) P-C4' energy: -149.662 flat angles C4'-P-C4' energy: -162.512 flat angles P-C4'-P energy: -126.887 tors. eta vs tors. theta energy: -162.735 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: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1949.918798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.918798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.918798 (E_RNA) where: Base-Base interactions energy: -1290.544 where: short stacking energy: -535.701 Base-Backbone interact. energy: 3.438 local terms energy: -662.813166 where: bonds (distance) C4'-P energy: -137.945 bonds (distance) P-C4' energy: -158.189 flat angles C4'-P-C4' energy: -158.205 flat angles P-C4'-P energy: -89.746 tors. eta vs tors. theta energy: -118.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1634.938734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.938734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.938734 (E_RNA) where: Base-Base interactions energy: -1005.853 where: short stacking energy: -476.106 Base-Backbone interact. energy: 0.952 local terms energy: -630.037654 where: bonds (distance) C4'-P energy: -135.920 bonds (distance) P-C4' energy: -142.742 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -100.119 tors. eta vs tors. theta energy: -95.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1167.377618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.377618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.377618 (E_RNA) where: Base-Base interactions energy: -606.962 where: short stacking energy: -321.829 Base-Backbone interact. energy: -2.598 local terms energy: -557.817368 where: bonds (distance) C4'-P energy: -140.836 bonds (distance) P-C4' energy: -161.576 flat angles C4'-P-C4' energy: -140.310 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -29.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -830.220781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.220781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.220781 (E_RNA) where: Base-Base interactions energy: -372.086 where: short stacking energy: -231.993 Base-Backbone interact. energy: -0.075 local terms energy: -458.059190 where: bonds (distance) C4'-P energy: -124.453 bonds (distance) P-C4' energy: -143.150 flat angles C4'-P-C4' energy: -137.060 flat angles P-C4'-P energy: -68.768 tors. eta vs tors. theta energy: 15.373 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: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3094.399541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.399541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.399541 (E_RNA) where: Base-Base interactions energy: -2120.349 where: short stacking energy: -906.456 Base-Backbone interact. energy: -4.666 local terms energy: -969.384761 where: bonds (distance) C4'-P energy: -180.435 bonds (distance) P-C4' energy: -191.320 flat angles C4'-P-C4' energy: -198.267 flat angles P-C4'-P energy: -138.529 tors. eta vs tors. theta energy: -260.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2948.252867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.252867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.252867 (E_RNA) where: Base-Base interactions energy: -2025.998 where: short stacking energy: -890.098 Base-Backbone interact. energy: -1.702 local terms energy: -920.553591 where: bonds (distance) C4'-P energy: -167.731 bonds (distance) P-C4' energy: -167.036 flat angles C4'-P-C4' energy: -193.005 flat angles P-C4'-P energy: -129.725 tors. eta vs tors. theta energy: -263.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2831.913453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.913453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.913453 (E_RNA) where: Base-Base interactions energy: -1918.425 where: short stacking energy: -860.311 Base-Backbone interact. energy: -1.894 local terms energy: -911.593675 where: bonds (distance) C4'-P energy: -170.645 bonds (distance) P-C4' energy: -171.220 flat angles C4'-P-C4' energy: -206.236 flat angles P-C4'-P energy: -124.614 tors. eta vs tors. theta energy: -238.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2667.715342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.715342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.715342 (E_RNA) where: Base-Base interactions energy: -1783.445 where: short stacking energy: -835.140 Base-Backbone interact. energy: 1.716 local terms energy: -885.986554 where: bonds (distance) C4'-P energy: -166.864 bonds (distance) P-C4' energy: -179.627 flat angles C4'-P-C4' energy: -188.378 flat angles P-C4'-P energy: -129.445 tors. eta vs tors. theta energy: -221.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2527.744084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.744084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.744084 (E_RNA) where: Base-Base interactions energy: -1679.458 where: short stacking energy: -762.801 Base-Backbone interact. energy: 2.907 local terms energy: -851.192983 where: bonds (distance) C4'-P energy: -145.586 bonds (distance) P-C4' energy: -157.972 flat angles C4'-P-C4' energy: -205.310 flat angles P-C4'-P energy: -126.273 tors. eta vs tors. theta energy: -216.052 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: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2322.958764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.958764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.958764 (E_RNA) where: Base-Base interactions energy: -1576.061 where: short stacking energy: -685.755 Base-Backbone interact. energy: 4.136 local terms energy: -751.033494 where: bonds (distance) C4'-P energy: -140.885 bonds (distance) P-C4' energy: -159.723 flat angles C4'-P-C4' energy: -172.381 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -174.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1988.046818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.046818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.046818 (E_RNA) where: Base-Base interactions energy: -1287.442 where: short stacking energy: -548.347 Base-Backbone interact. energy: -3.683 local terms energy: -696.921817 where: bonds (distance) C4'-P energy: -143.074 bonds (distance) P-C4' energy: -174.880 flat angles C4'-P-C4' energy: -168.790 flat angles P-C4'-P energy: -86.621 tors. eta vs tors. theta energy: -123.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1640.353964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.353964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.353964 (E_RNA) where: Base-Base interactions energy: -1012.812 where: short stacking energy: -484.475 Base-Backbone interact. energy: 1.109 local terms energy: -628.650406 where: bonds (distance) C4'-P energy: -154.012 bonds (distance) P-C4' energy: -146.643 flat angles C4'-P-C4' energy: -149.665 flat angles P-C4'-P energy: -90.148 tors. eta vs tors. theta energy: -88.182 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: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1129.189103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.189103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.189103 (E_RNA) where: Base-Base interactions energy: -571.748 where: short stacking energy: -288.430 Base-Backbone interact. energy: 2.255 local terms energy: -559.695802 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -155.962 flat angles C4'-P-C4' energy: -131.595 flat angles P-C4'-P energy: -97.962 tors. eta vs tors. theta energy: -26.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -866.682968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.682968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.682968 (E_RNA) where: Base-Base interactions energy: -401.082 where: short stacking energy: -251.959 Base-Backbone interact. energy: 1.992 local terms energy: -467.593193 where: bonds (distance) C4'-P energy: -152.046 bonds (distance) P-C4' energy: -141.982 flat angles C4'-P-C4' energy: -140.882 flat angles P-C4'-P energy: -45.405 tors. eta vs tors. theta energy: 12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3056.322324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.322324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.322324 (E_RNA) where: Base-Base interactions energy: -2079.821 where: short stacking energy: -898.914 Base-Backbone interact. energy: -0.870 local terms energy: -975.631049 where: bonds (distance) C4'-P energy: -182.171 bonds (distance) P-C4' energy: -173.100 flat angles C4'-P-C4' energy: -209.964 flat angles P-C4'-P energy: -143.826 tors. eta vs tors. theta energy: -266.571 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: 331 Temperature: 0.950000 Total energy: -2987.614499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.614499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.614499 (E_RNA) where: Base-Base interactions energy: -2076.207 where: short stacking energy: -908.201 Base-Backbone interact. energy: -1.516 local terms energy: -909.891401 where: bonds (distance) C4'-P energy: -173.124 bonds (distance) P-C4' energy: -173.382 flat angles C4'-P-C4' energy: -197.358 flat angles P-C4'-P energy: -112.246 tors. eta vs tors. theta energy: -253.781 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: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2860.915635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.915635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.915635 (E_RNA) where: Base-Base interactions energy: -1950.924 where: short stacking energy: -899.554 Base-Backbone interact. energy: -2.365 local terms energy: -907.626861 where: bonds (distance) C4'-P energy: -153.847 bonds (distance) P-C4' energy: -183.052 flat angles C4'-P-C4' energy: -196.957 flat angles P-C4'-P energy: -115.617 tors. eta vs tors. theta energy: -258.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2628.964779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.964779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.964779 (E_RNA) where: Base-Base interactions energy: -1789.538 where: short stacking energy: -822.462 Base-Backbone interact. energy: 0.132 local terms energy: -839.558808 where: bonds (distance) C4'-P energy: -169.435 bonds (distance) P-C4' energy: -163.248 flat angles C4'-P-C4' energy: -173.066 flat angles P-C4'-P energy: -119.375 tors. eta vs tors. theta energy: -214.436 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: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2526.956006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.956006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.956006 (E_RNA) where: Base-Base interactions energy: -1688.529 where: short stacking energy: -787.081 Base-Backbone interact. energy: -3.050 local terms energy: -835.377074 where: bonds (distance) C4'-P energy: -167.264 bonds (distance) P-C4' energy: -154.519 flat angles C4'-P-C4' energy: -173.357 flat angles P-C4'-P energy: -133.884 tors. eta vs tors. theta energy: -206.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2330.224660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.224660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.224660 (E_RNA) where: Base-Base interactions energy: -1583.103 where: short stacking energy: -675.262 Base-Backbone interact. energy: -0.878 local terms energy: -746.243819 where: bonds (distance) C4'-P energy: -163.425 bonds (distance) P-C4' energy: -159.719 flat angles C4'-P-C4' energy: -153.150 flat angles P-C4'-P energy: -99.649 tors. eta vs tors. theta energy: -170.301 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: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2022.515806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.515806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.515806 (E_RNA) where: Base-Base interactions energy: -1329.226 where: short stacking energy: -571.109 Base-Backbone interact. energy: -2.491 local terms energy: -690.798295 where: bonds (distance) C4'-P energy: -149.750 bonds (distance) P-C4' energy: -165.870 flat angles C4'-P-C4' energy: -151.437 flat angles P-C4'-P energy: -115.412 tors. eta vs tors. theta energy: -108.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1698.914779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.914779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.914779 (E_RNA) where: Base-Base interactions energy: -1065.381 where: short stacking energy: -493.865 Base-Backbone interact. energy: 2.513 local terms energy: -636.047279 where: bonds (distance) C4'-P energy: -150.155 bonds (distance) P-C4' energy: -153.194 flat angles C4'-P-C4' energy: -144.263 flat angles P-C4'-P energy: -95.053 tors. eta vs tors. theta energy: -93.383 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: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1114.343400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.343400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.343400 (E_RNA) where: Base-Base interactions energy: -585.671 where: short stacking energy: -328.650 Base-Backbone interact. energy: 4.004 local terms energy: -532.676167 where: bonds (distance) C4'-P energy: -141.897 bonds (distance) P-C4' energy: -144.395 flat angles C4'-P-C4' energy: -145.463 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -28.467 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: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -855.453845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.453845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.453845 (E_RNA) where: Base-Base interactions energy: -406.791 where: short stacking energy: -276.006 Base-Backbone interact. energy: -0.688 local terms energy: -447.974711 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -140.991 flat angles C4'-P-C4' energy: -107.677 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: 25.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3104.988399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.988399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.988399 (E_RNA) where: Base-Base interactions energy: -2120.662 where: short stacking energy: -960.573 Base-Backbone interact. energy: -6.117 local terms energy: -978.209757 where: bonds (distance) C4'-P energy: -168.904 bonds (distance) P-C4' energy: -179.983 flat angles C4'-P-C4' energy: -210.230 flat angles P-C4'-P energy: -142.710 tors. eta vs tors. theta energy: -276.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3023.693560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.693560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.693560 (E_RNA) where: Base-Base interactions energy: -2067.867 where: short stacking energy: -920.286 Base-Backbone interact. energy: -1.495 local terms energy: -954.331758 where: bonds (distance) C4'-P energy: -196.400 bonds (distance) P-C4' energy: -163.470 flat angles C4'-P-C4' energy: -191.450 flat angles P-C4'-P energy: -129.919 tors. eta vs tors. theta energy: -273.093 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: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2843.324326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.324326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.324326 (E_RNA) where: Base-Base interactions energy: -1923.291 where: short stacking energy: -867.009 Base-Backbone interact. energy: -0.163 local terms energy: -919.870718 where: bonds (distance) C4'-P energy: -175.486 bonds (distance) P-C4' energy: -182.160 flat angles C4'-P-C4' energy: -195.565 flat angles P-C4'-P energy: -124.251 tors. eta vs tors. theta energy: -242.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2611.616597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.616597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.616597 (E_RNA) where: Base-Base interactions energy: -1773.141 where: short stacking energy: -793.770 Base-Backbone interact. energy: -1.152 local terms energy: -837.323706 where: bonds (distance) C4'-P energy: -155.889 bonds (distance) P-C4' energy: -177.954 flat angles C4'-P-C4' energy: -167.856 flat angles P-C4'-P energy: -118.725 tors. eta vs tors. theta energy: -216.900 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: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2498.742585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.742585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.742585 (E_RNA) where: Base-Base interactions energy: -1667.046 where: short stacking energy: -755.908 Base-Backbone interact. energy: -3.172 local terms energy: -828.524261 where: bonds (distance) C4'-P energy: -153.334 bonds (distance) P-C4' energy: -170.233 flat angles C4'-P-C4' energy: -182.808 flat angles P-C4'-P energy: -120.695 tors. eta vs tors. theta energy: -201.455 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: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2302.790298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.790298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.790298 (E_RNA) where: Base-Base interactions energy: -1522.152 where: short stacking energy: -681.769 Base-Backbone interact. energy: -3.671 local terms energy: -776.966468 where: bonds (distance) C4'-P energy: -147.092 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -189.447 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -177.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1987.060490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.060490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.060490 (E_RNA) where: Base-Base interactions energy: -1299.336 where: short stacking energy: -561.007 Base-Backbone interact. energy: -0.606 local terms energy: -687.118827 where: bonds (distance) C4'-P energy: -154.166 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -154.775 flat angles P-C4'-P energy: -97.716 tors. eta vs tors. theta energy: -123.653 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: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1736.918692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.918692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.918692 (E_RNA) where: Base-Base interactions energy: -1100.952 where: short stacking energy: -483.508 Base-Backbone interact. energy: -1.508 local terms energy: -634.458261 where: bonds (distance) C4'-P energy: -125.096 bonds (distance) P-C4' energy: -165.950 flat angles C4'-P-C4' energy: -150.984 flat angles P-C4'-P energy: -89.269 tors. eta vs tors. theta energy: -103.159 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1135.107110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.107110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.107110 (E_RNA) where: Base-Base interactions energy: -598.368 where: short stacking energy: -327.151 Base-Backbone interact. energy: -0.205 local terms energy: -536.533652 where: bonds (distance) C4'-P energy: -152.085 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -71.832 tors. eta vs tors. theta energy: -36.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -855.045313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.045313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.045313 (E_RNA) where: Base-Base interactions energy: -367.287 where: short stacking energy: -229.240 Base-Backbone interact. energy: 2.675 local terms energy: -490.433698 where: bonds (distance) C4'-P energy: -150.997 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -127.372 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: 4.096 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: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3121.092186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.092186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.092186 (E_RNA) where: Base-Base interactions energy: -2137.436 where: short stacking energy: -923.005 Base-Backbone interact. energy: -4.721 local terms energy: -978.935497 where: bonds (distance) C4'-P energy: -182.987 bonds (distance) P-C4' energy: -162.214 flat angles C4'-P-C4' energy: -224.900 flat angles P-C4'-P energy: -146.913 tors. eta vs tors. theta energy: -261.922 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: 333 Temperature: 0.950000 Total energy: -3004.148682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.148682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.148682 (E_RNA) where: Base-Base interactions energy: -2065.969 where: short stacking energy: -910.376 Base-Backbone interact. energy: -1.860 local terms energy: -936.319152 where: bonds (distance) C4'-P energy: -176.695 bonds (distance) P-C4' energy: -159.230 flat angles C4'-P-C4' energy: -198.019 flat angles P-C4'-P energy: -141.200 tors. eta vs tors. theta energy: -261.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2823.754524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.754524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.754524 (E_RNA) where: Base-Base interactions energy: -1915.047 where: short stacking energy: -853.181 Base-Backbone interact. energy: 0.491 local terms energy: -909.198480 where: bonds (distance) C4'-P energy: -166.033 bonds (distance) P-C4' energy: -169.981 flat angles C4'-P-C4' energy: -201.857 flat angles P-C4'-P energy: -139.810 tors. eta vs tors. theta energy: -231.518 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: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2652.572951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.572951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.572951 (E_RNA) where: Base-Base interactions energy: -1762.443 where: short stacking energy: -820.295 Base-Backbone interact. energy: -3.300 local terms energy: -886.830500 where: bonds (distance) C4'-P energy: -171.220 bonds (distance) P-C4' energy: -173.548 flat angles C4'-P-C4' energy: -191.355 flat angles P-C4'-P energy: -117.589 tors. eta vs tors. theta energy: -233.119 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: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2483.157992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.157992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.157992 (E_RNA) where: Base-Base interactions energy: -1667.390 where: short stacking energy: -750.272 Base-Backbone interact. energy: -2.894 local terms energy: -812.874084 where: bonds (distance) C4'-P energy: -151.890 bonds (distance) P-C4' energy: -155.690 flat angles C4'-P-C4' energy: -189.920 flat angles P-C4'-P energy: -120.061 tors. eta vs tors. theta energy: -195.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2334.532018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.532018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.532018 (E_RNA) where: Base-Base interactions energy: -1560.339 where: short stacking energy: -677.088 Base-Backbone interact. energy: -0.064 local terms energy: -774.129577 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -166.023 flat angles C4'-P-C4' energy: -175.440 flat angles P-C4'-P energy: -107.762 tors. eta vs tors. theta energy: -168.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1901.009061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.009061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.009061 (E_RNA) where: Base-Base interactions energy: -1241.310 where: short stacking energy: -555.897 Base-Backbone interact. energy: 1.713 local terms energy: -661.412637 where: bonds (distance) C4'-P energy: -151.617 bonds (distance) P-C4' energy: -156.662 flat angles C4'-P-C4' energy: -151.559 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: -105.493 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1759.239864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.239864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.239864 (E_RNA) where: Base-Base interactions energy: -1123.214 where: short stacking energy: -516.904 Base-Backbone interact. energy: -2.140 local terms energy: -633.885639 where: bonds (distance) C4'-P energy: -138.101 bonds (distance) P-C4' energy: -157.910 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -81.682 tors. eta vs tors. theta energy: -114.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1121.222933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.222933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.222933 (E_RNA) where: Base-Base interactions energy: -583.963 where: short stacking energy: -319.546 Base-Backbone interact. energy: -1.908 local terms energy: -535.351779 where: bonds (distance) C4'-P energy: -154.159 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -140.817 flat angles P-C4'-P energy: -62.195 tors. eta vs tors. theta energy: -30.351 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: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -816.202120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.202120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.202120 (E_RNA) where: Base-Base interactions energy: -340.600 where: short stacking energy: -205.303 Base-Backbone interact. energy: 0.789 local terms energy: -476.391749 where: bonds (distance) C4'-P energy: -133.948 bonds (distance) P-C4' energy: -168.699 flat angles C4'-P-C4' energy: -95.923 flat angles P-C4'-P energy: -87.359 tors. eta vs tors. theta energy: 9.538 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: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3132.876239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.876239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.876239 (E_RNA) where: Base-Base interactions energy: -2126.178 where: short stacking energy: -931.557 Base-Backbone interact. energy: -6.182 local terms energy: -1000.516143 where: bonds (distance) C4'-P energy: -187.513 bonds (distance) P-C4' energy: -200.668 flat angles C4'-P-C4' energy: -203.170 flat angles P-C4'-P energy: -136.730 tors. eta vs tors. theta energy: -272.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2999.713387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.713387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.713387 (E_RNA) where: Base-Base interactions energy: -2033.069 where: short stacking energy: -920.033 Base-Backbone interact. energy: -1.950 local terms energy: -964.694863 where: bonds (distance) C4'-P energy: -172.425 bonds (distance) P-C4' energy: -175.940 flat angles C4'-P-C4' energy: -212.810 flat angles P-C4'-P energy: -132.761 tors. eta vs tors. theta energy: -270.759 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: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2901.339893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.339893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.339893 (E_RNA) where: Base-Base interactions energy: -1989.675 where: short stacking energy: -898.134 Base-Backbone interact. energy: -0.293 local terms energy: -911.372503 where: bonds (distance) C4'-P energy: -154.817 bonds (distance) P-C4' energy: -176.913 flat angles C4'-P-C4' energy: -183.927 flat angles P-C4'-P energy: -140.070 tors. eta vs tors. theta energy: -255.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2664.164814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.164814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.164814 (E_RNA) where: Base-Base interactions energy: -1827.194 where: short stacking energy: -852.401 Base-Backbone interact. energy: -0.186 local terms energy: -836.785105 where: bonds (distance) C4'-P energy: -143.589 bonds (distance) P-C4' energy: -148.789 flat angles C4'-P-C4' energy: -169.322 flat angles P-C4'-P energy: -128.554 tors. eta vs tors. theta energy: -246.532 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: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2526.020762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.020762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.020762 (E_RNA) where: Base-Base interactions energy: -1744.329 where: short stacking energy: -762.945 Base-Backbone interact. energy: 7.045 local terms energy: -788.736201 where: bonds (distance) C4'-P energy: -136.350 bonds (distance) P-C4' energy: -158.037 flat angles C4'-P-C4' energy: -194.691 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -191.890 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: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2317.783149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.783149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.783149 (E_RNA) where: Base-Base interactions energy: -1574.616 where: short stacking energy: -685.023 Base-Backbone interact. energy: -5.527 local terms energy: -737.640061 where: bonds (distance) C4'-P energy: -147.691 bonds (distance) P-C4' energy: -133.792 flat angles C4'-P-C4' energy: -162.439 flat angles P-C4'-P energy: -109.098 tors. eta vs tors. theta energy: -184.620 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: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1921.879975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.879975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.879975 (E_RNA) where: Base-Base interactions energy: -1242.627 where: short stacking energy: -577.861 Base-Backbone interact. energy: -2.017 local terms energy: -677.235456 where: bonds (distance) C4'-P energy: -139.414 bonds (distance) P-C4' energy: -169.568 flat angles C4'-P-C4' energy: -157.987 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -116.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1786.342679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.342679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.342679 (E_RNA) where: Base-Base interactions energy: -1115.031 where: short stacking energy: -529.268 Base-Backbone interact. energy: -1.460 local terms energy: -669.852221 where: bonds (distance) C4'-P energy: -152.912 bonds (distance) P-C4' energy: -148.876 flat angles C4'-P-C4' energy: -169.066 flat angles P-C4'-P energy: -93.572 tors. eta vs tors. theta energy: -105.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1114.580289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.580289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.580289 (E_RNA) where: Base-Base interactions energy: -591.526 where: short stacking energy: -302.023 Base-Backbone interact. energy: 3.854 local terms energy: -526.907911 where: bonds (distance) C4'-P energy: -158.360 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -127.594 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: 1.383 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: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -833.490211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.490211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.490211 (E_RNA) where: Base-Base interactions energy: -398.250 where: short stacking energy: -245.511 Base-Backbone interact. energy: 7.732 local terms energy: -442.972064 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -120.266 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: 26.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3095.682525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.682525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.682525 (E_RNA) where: Base-Base interactions energy: -2126.380 where: short stacking energy: -955.763 Base-Backbone interact. energy: 1.324 local terms energy: -970.626222 where: bonds (distance) C4'-P energy: -184.481 bonds (distance) P-C4' energy: -190.840 flat angles C4'-P-C4' energy: -201.177 flat angles P-C4'-P energy: -123.109 tors. eta vs tors. theta energy: -271.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2997.401590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.401590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.401590 (E_RNA) where: Base-Base interactions energy: -2050.083 where: short stacking energy: -929.179 Base-Backbone interact. energy: -3.586 local terms energy: -943.732516 where: bonds (distance) C4'-P energy: -156.127 bonds (distance) P-C4' energy: -169.695 flat angles C4'-P-C4' energy: -202.834 flat angles P-C4'-P energy: -136.435 tors. eta vs tors. theta energy: -278.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2890.662754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.662754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.662754 (E_RNA) where: Base-Base interactions energy: -1955.661 where: short stacking energy: -884.758 Base-Backbone interact. energy: -1.679 local terms energy: -933.322605 where: bonds (distance) C4'-P energy: -165.514 bonds (distance) P-C4' energy: -182.983 flat angles C4'-P-C4' energy: -187.201 flat angles P-C4'-P energy: -138.093 tors. eta vs tors. theta energy: -259.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2625.955227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.955227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.955227 (E_RNA) where: Base-Base interactions energy: -1780.288 where: short stacking energy: -791.949 Base-Backbone interact. energy: -1.214 local terms energy: -844.453698 where: bonds (distance) C4'-P energy: -144.113 bonds (distance) P-C4' energy: -178.001 flat angles C4'-P-C4' energy: -178.132 flat angles P-C4'-P energy: -118.455 tors. eta vs tors. theta energy: -225.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2542.873013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.873013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.873013 (E_RNA) where: Base-Base interactions energy: -1724.096 where: short stacking energy: -782.092 Base-Backbone interact. energy: -1.643 local terms energy: -817.133562 where: bonds (distance) C4'-P energy: -154.459 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -170.375 flat angles P-C4'-P energy: -111.643 tors. eta vs tors. theta energy: -220.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2347.846942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.846942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.846942 (E_RNA) where: Base-Base interactions energy: -1548.006 where: short stacking energy: -699.688 Base-Backbone interact. energy: -2.122 local terms energy: -797.719606 where: bonds (distance) C4'-P energy: -156.781 bonds (distance) P-C4' energy: -163.382 flat angles C4'-P-C4' energy: -181.458 flat angles P-C4'-P energy: -109.238 tors. eta vs tors. theta energy: -186.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1881.870149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.870149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.870149 (E_RNA) where: Base-Base interactions energy: -1191.823 where: short stacking energy: -580.219 Base-Backbone interact. energy: 1.367 local terms energy: -691.414310 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -148.812 flat angles C4'-P-C4' energy: -155.664 flat angles P-C4'-P energy: -89.664 tors. eta vs tors. theta energy: -136.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1779.663649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.663649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.663649 (E_RNA) where: Base-Base interactions energy: -1142.623 where: short stacking energy: -517.769 Base-Backbone interact. energy: 0.551 local terms energy: -637.592424 where: bonds (distance) C4'-P energy: -130.611 bonds (distance) P-C4' energy: -149.028 flat angles C4'-P-C4' energy: -148.479 flat angles P-C4'-P energy: -113.270 tors. eta vs tors. theta energy: -96.204 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: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1099.850769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.850769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.850769 (E_RNA) where: Base-Base interactions energy: -602.104 where: short stacking energy: -313.715 Base-Backbone interact. energy: -5.618 local terms energy: -492.128816 where: bonds (distance) C4'-P energy: -125.310 bonds (distance) P-C4' energy: -139.623 flat angles C4'-P-C4' energy: -128.635 flat angles P-C4'-P energy: -88.555 tors. eta vs tors. theta energy: -10.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -833.435078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.435078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.435078 (E_RNA) where: Base-Base interactions energy: -374.461 where: short stacking energy: -234.523 Base-Backbone interact. energy: -0.710 local terms energy: -458.263753 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -111.890 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: 22.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3109.346518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.346518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.346518 (E_RNA) where: Base-Base interactions energy: -2153.470 where: short stacking energy: -949.583 Base-Backbone interact. energy: -1.182 local terms energy: -954.694605 where: bonds (distance) C4'-P energy: -178.346 bonds (distance) P-C4' energy: -172.888 flat angles C4'-P-C4' energy: -205.559 flat angles P-C4'-P energy: -138.909 tors. eta vs tors. theta energy: -258.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -3030.757085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.757085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.757085 (E_RNA) where: Base-Base interactions energy: -2092.874 where: short stacking energy: -908.486 Base-Backbone interact. energy: -3.914 local terms energy: -933.969219 where: bonds (distance) C4'-P energy: -178.676 bonds (distance) P-C4' energy: -178.700 flat angles C4'-P-C4' energy: -198.298 flat angles P-C4'-P energy: -114.568 tors. eta vs tors. theta energy: -263.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2885.536229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.536229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.536229 (E_RNA) where: Base-Base interactions energy: -1953.573 where: short stacking energy: -878.118 Base-Backbone interact. energy: -2.479 local terms energy: -929.485054 where: bonds (distance) C4'-P energy: -189.848 bonds (distance) P-C4' energy: -165.814 flat angles C4'-P-C4' energy: -195.803 flat angles P-C4'-P energy: -120.638 tors. eta vs tors. theta energy: -257.382 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: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2667.456539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.456539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.456539 (E_RNA) where: Base-Base interactions energy: -1795.324 where: short stacking energy: -815.678 Base-Backbone interact. energy: -1.301 local terms energy: -870.831647 where: bonds (distance) C4'-P energy: -169.848 bonds (distance) P-C4' energy: -163.200 flat angles C4'-P-C4' energy: -202.284 flat angles P-C4'-P energy: -115.954 tors. eta vs tors. theta energy: -219.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2474.958536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.958536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.958536 (E_RNA) where: Base-Base interactions energy: -1666.132 where: short stacking energy: -741.463 Base-Backbone interact. energy: -1.618 local terms energy: -807.208826 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -158.720 flat angles C4'-P-C4' energy: -178.609 flat angles P-C4'-P energy: -120.936 tors. eta vs tors. theta energy: -197.284 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: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2300.717764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.717764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.717764 (E_RNA) where: Base-Base interactions energy: -1565.115 where: short stacking energy: -682.570 Base-Backbone interact. energy: -2.991 local terms energy: -732.612139 where: bonds (distance) C4'-P energy: -150.172 bonds (distance) P-C4' energy: -144.015 flat angles C4'-P-C4' energy: -175.028 flat angles P-C4'-P energy: -112.574 tors. eta vs tors. theta energy: -150.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1903.315396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.315396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.315396 (E_RNA) where: Base-Base interactions energy: -1229.896 where: short stacking energy: -552.524 Base-Backbone interact. energy: 0.640 local terms energy: -674.059564 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -152.099 flat angles C4'-P-C4' energy: -141.300 flat angles P-C4'-P energy: -83.065 tors. eta vs tors. theta energy: -136.432 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: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1785.689889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.689889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.689889 (E_RNA) where: Base-Base interactions energy: -1148.838 where: short stacking energy: -537.235 Base-Backbone interact. energy: -0.541 local terms energy: -636.310457 where: bonds (distance) C4'-P energy: -143.609 bonds (distance) P-C4' energy: -139.017 flat angles C4'-P-C4' energy: -160.508 flat angles P-C4'-P energy: -86.614 tors. eta vs tors. theta energy: -106.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1105.668064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.668064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.668064 (E_RNA) where: Base-Base interactions energy: -592.488 where: short stacking energy: -320.890 Base-Backbone interact. energy: -3.045 local terms energy: -510.134509 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -146.430 flat angles C4'-P-C4' energy: -146.670 flat angles P-C4'-P energy: -70.614 tors. eta vs tors. theta energy: -20.438 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: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -838.687981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.687981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.687981 (E_RNA) where: Base-Base interactions energy: -400.703 where: short stacking energy: -283.073 Base-Backbone interact. energy: 7.373 local terms energy: -445.357717 where: bonds (distance) C4'-P energy: -116.763 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -110.364 flat angles P-C4'-P energy: -70.136 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3103.161615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.161615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.161615 (E_RNA) where: Base-Base interactions energy: -2123.255 where: short stacking energy: -916.105 Base-Backbone interact. energy: -2.462 local terms energy: -977.444897 where: bonds (distance) C4'-P energy: -184.963 bonds (distance) P-C4' energy: -175.069 flat angles C4'-P-C4' energy: -213.045 flat angles P-C4'-P energy: -147.809 tors. eta vs tors. theta energy: -256.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2980.994634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.994634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.994634 (E_RNA) where: Base-Base interactions energy: -2014.903 where: short stacking energy: -920.096 Base-Backbone interact. energy: -2.484 local terms energy: -963.607479 where: bonds (distance) C4'-P energy: -178.307 bonds (distance) P-C4' energy: -172.819 flat angles C4'-P-C4' energy: -200.553 flat angles P-C4'-P energy: -140.698 tors. eta vs tors. theta energy: -271.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2866.631894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.631894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.631894 (E_RNA) where: Base-Base interactions energy: -1964.946 where: short stacking energy: -904.499 Base-Backbone interact. energy: -1.107 local terms energy: -900.579440 where: bonds (distance) C4'-P energy: -152.313 bonds (distance) P-C4' energy: -164.196 flat angles C4'-P-C4' energy: -208.192 flat angles P-C4'-P energy: -122.534 tors. eta vs tors. theta energy: -253.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2660.261778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.261778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.261778 (E_RNA) where: Base-Base interactions energy: -1784.506 where: short stacking energy: -830.618 Base-Backbone interact. energy: -2.167 local terms energy: -873.588644 where: bonds (distance) C4'-P energy: -166.317 bonds (distance) P-C4' energy: -148.537 flat angles C4'-P-C4' energy: -178.835 flat angles P-C4'-P energy: -147.748 tors. eta vs tors. theta energy: -232.152 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: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2484.993362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.993362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.993362 (E_RNA) where: Base-Base interactions energy: -1684.178 where: short stacking energy: -742.259 Base-Backbone interact. energy: -3.633 local terms energy: -797.182345 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -170.887 flat angles C4'-P-C4' energy: -188.882 flat angles P-C4'-P energy: -114.842 tors. eta vs tors. theta energy: -181.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2269.932011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.932011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.932011 (E_RNA) where: Base-Base interactions energy: -1563.141 where: short stacking energy: -661.201 Base-Backbone interact. energy: 4.870 local terms energy: -711.661282 where: bonds (distance) C4'-P energy: -152.651 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -150.295 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -142.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1851.364302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.364302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.364302 (E_RNA) where: Base-Base interactions energy: -1190.448 where: short stacking energy: -546.445 Base-Backbone interact. energy: -2.993 local terms energy: -657.923551 where: bonds (distance) C4'-P energy: -152.435 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -161.498 flat angles P-C4'-P energy: -84.745 tors. eta vs tors. theta energy: -116.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1765.829165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.829165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.829165 (E_RNA) where: Base-Base interactions energy: -1109.523 where: short stacking energy: -495.930 Base-Backbone interact. energy: 0.316 local terms energy: -656.622289 where: bonds (distance) C4'-P energy: -160.283 bonds (distance) P-C4' energy: -155.592 flat angles C4'-P-C4' energy: -130.053 flat angles P-C4'-P energy: -106.976 tors. eta vs tors. theta energy: -103.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1085.899062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.899062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.899062 (E_RNA) where: Base-Base interactions energy: -581.998 where: short stacking energy: -320.436 Base-Backbone interact. energy: -2.508 local terms energy: -501.393479 where: bonds (distance) C4'-P energy: -124.079 bonds (distance) P-C4' energy: -163.778 flat angles C4'-P-C4' energy: -126.046 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -11.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -813.145642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.145642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.145642 (E_RNA) where: Base-Base interactions energy: -359.885 where: short stacking energy: -208.745 Base-Backbone interact. energy: 3.564 local terms energy: -456.824516 where: bonds (distance) C4'-P energy: -114.726 bonds (distance) P-C4' energy: -136.327 flat angles C4'-P-C4' energy: -134.000 flat angles P-C4'-P energy: -87.941 tors. eta vs tors. theta energy: 16.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3106.706975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.706975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.706975 (E_RNA) where: Base-Base interactions energy: -2124.987 where: short stacking energy: -915.861 Base-Backbone interact. energy: -5.561 local terms energy: -976.158634 where: bonds (distance) C4'-P energy: -173.313 bonds (distance) P-C4' energy: -192.094 flat angles C4'-P-C4' energy: -210.000 flat angles P-C4'-P energy: -134.065 tors. eta vs tors. theta energy: -266.687 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: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2976.576802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.576802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.576802 (E_RNA) where: Base-Base interactions energy: -2032.161 where: short stacking energy: -904.027 Base-Backbone interact. energy: -3.243 local terms energy: -941.172610 where: bonds (distance) C4'-P energy: -170.280 bonds (distance) P-C4' energy: -171.370 flat angles C4'-P-C4' energy: -197.232 flat angles P-C4'-P energy: -138.338 tors. eta vs tors. theta energy: -263.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2895.734764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.734764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.734764 (E_RNA) where: Base-Base interactions energy: -1955.565 where: short stacking energy: -901.619 Base-Backbone interact. energy: -1.585 local terms energy: -938.584812 where: bonds (distance) C4'-P energy: -165.807 bonds (distance) P-C4' energy: -174.211 flat angles C4'-P-C4' energy: -205.619 flat angles P-C4'-P energy: -143.408 tors. eta vs tors. theta energy: -249.540 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: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2652.626623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.626623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.626623 (E_RNA) where: Base-Base interactions energy: -1794.223 where: short stacking energy: -829.026 Base-Backbone interact. energy: -0.143 local terms energy: -858.260389 where: bonds (distance) C4'-P energy: -164.897 bonds (distance) P-C4' energy: -171.911 flat angles C4'-P-C4' energy: -181.822 flat angles P-C4'-P energy: -112.628 tors. eta vs tors. theta energy: -227.002 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: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2490.057335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.057335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.057335 (E_RNA) where: Base-Base interactions energy: -1663.475 where: short stacking energy: -748.529 Base-Backbone interact. energy: -1.547 local terms energy: -825.035715 where: bonds (distance) C4'-P energy: -174.568 bonds (distance) P-C4' energy: -150.074 flat angles C4'-P-C4' energy: -189.192 flat angles P-C4'-P energy: -112.483 tors. eta vs tors. theta energy: -198.719 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: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2264.927386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.927386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.927386 (E_RNA) where: Base-Base interactions energy: -1517.090 where: short stacking energy: -643.486 Base-Backbone interact. energy: -1.992 local terms energy: -745.845516 where: bonds (distance) C4'-P energy: -177.992 bonds (distance) P-C4' energy: -164.961 flat angles C4'-P-C4' energy: -145.783 flat angles P-C4'-P energy: -116.719 tors. eta vs tors. theta energy: -140.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1971.195004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.195004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.195004 (E_RNA) where: Base-Base interactions energy: -1270.210 where: short stacking energy: -572.878 Base-Backbone interact. energy: 0.482 local terms energy: -701.466994 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -157.215 flat angles C4'-P-C4' energy: -175.384 flat angles P-C4'-P energy: -108.155 tors. eta vs tors. theta energy: -120.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1805.907952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.907952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.907952 (E_RNA) where: Base-Base interactions energy: -1135.915 where: short stacking energy: -519.813 Base-Backbone interact. energy: -0.681 local terms energy: -669.311758 where: bonds (distance) C4'-P energy: -139.617 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -174.286 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -118.252 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: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1169.676436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.676436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.676436 (E_RNA) where: Base-Base interactions energy: -611.080 where: short stacking energy: -317.994 Base-Backbone interact. energy: 2.635 local terms energy: -561.232155 where: bonds (distance) C4'-P energy: -170.663 bonds (distance) P-C4' energy: -159.134 flat angles C4'-P-C4' energy: -126.984 flat angles P-C4'-P energy: -81.152 tors. eta vs tors. theta energy: -23.299 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: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -876.446407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.446407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.446407 (E_RNA) where: Base-Base interactions energy: -454.920 where: short stacking energy: -253.656 Base-Backbone interact. energy: -2.814 local terms energy: -418.712917 where: bonds (distance) C4'-P energy: -144.680 bonds (distance) P-C4' energy: -129.577 flat angles C4'-P-C4' energy: -104.421 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: 26.911 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: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3087.909641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.909641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.909641 (E_RNA) where: Base-Base interactions energy: -2103.704 where: short stacking energy: -919.335 Base-Backbone interact. energy: 1.250 local terms energy: -985.455045 where: bonds (distance) C4'-P energy: -194.741 bonds (distance) P-C4' energy: -185.859 flat angles C4'-P-C4' energy: -216.919 flat angles P-C4'-P energy: -129.523 tors. eta vs tors. theta energy: -258.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2985.273281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.273281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.273281 (E_RNA) where: Base-Base interactions energy: -2024.140 where: short stacking energy: -895.144 Base-Backbone interact. energy: -1.753 local terms energy: -959.380233 where: bonds (distance) C4'-P energy: -173.920 bonds (distance) P-C4' energy: -182.105 flat angles C4'-P-C4' energy: -199.860 flat angles P-C4'-P energy: -139.142 tors. eta vs tors. theta energy: -264.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2867.988546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.988546 (E_RNA) where: Base-Base interactions energy: -1940.329 where: short stacking energy: -862.674 Base-Backbone interact. energy: 0.306 local terms energy: -927.965861 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -171.319 flat angles C4'-P-C4' energy: -195.760 flat angles P-C4'-P energy: -138.829 tors. eta vs tors. theta energy: -251.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2643.092471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.092471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.092471 (E_RNA) where: Base-Base interactions energy: -1797.270 where: short stacking energy: -801.831 Base-Backbone interact. energy: -0.300 local terms energy: -845.522923 where: bonds (distance) C4'-P energy: -165.078 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -175.430 flat angles P-C4'-P energy: -120.629 tors. eta vs tors. theta energy: -230.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2515.930959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.930959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.930959 (E_RNA) where: Base-Base interactions energy: -1698.463 where: short stacking energy: -752.965 Base-Backbone interact. energy: -0.644 local terms energy: -816.824394 where: bonds (distance) C4'-P energy: -155.060 bonds (distance) P-C4' energy: -166.675 flat angles C4'-P-C4' energy: -178.996 flat angles P-C4'-P energy: -115.472 tors. eta vs tors. theta energy: -200.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2247.233630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.233630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.233630 (E_RNA) where: Base-Base interactions energy: -1506.467 where: short stacking energy: -658.056 Base-Backbone interact. energy: 3.965 local terms energy: -744.731537 where: bonds (distance) C4'-P energy: -140.904 bonds (distance) P-C4' energy: -164.733 flat angles C4'-P-C4' energy: -187.180 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -166.071 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2016.144838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.144838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.144838 (E_RNA) where: Base-Base interactions energy: -1299.405 where: short stacking energy: -580.128 Base-Backbone interact. energy: -3.300 local terms energy: -713.439320 where: bonds (distance) C4'-P energy: -148.654 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -86.549 tors. eta vs tors. theta energy: -156.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1829.517903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.517903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.517903 (E_RNA) where: Base-Base interactions energy: -1199.149 where: short stacking energy: -517.873 Base-Backbone interact. energy: -1.442 local terms energy: -628.926795 where: bonds (distance) C4'-P energy: -135.548 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -165.330 flat angles P-C4'-P energy: -73.977 tors. eta vs tors. theta energy: -113.995 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: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1173.012791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.012791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.012791 (E_RNA) where: Base-Base interactions energy: -640.213 where: short stacking energy: -349.875 Base-Backbone interact. energy: 5.481 local terms energy: -538.280888 where: bonds (distance) C4'-P energy: -142.254 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -119.592 flat angles P-C4'-P energy: -73.748 tors. eta vs tors. theta energy: -43.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -931.218511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.218511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.218511 (E_RNA) where: Base-Base interactions energy: -449.671 where: short stacking energy: -270.833 Base-Backbone interact. energy: 0.423 local terms energy: -481.971029 where: bonds (distance) C4'-P energy: -147.135 bonds (distance) P-C4' energy: -133.759 flat angles C4'-P-C4' energy: -147.350 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -8.286 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: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3094.055271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.055271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.055271 (E_RNA) where: Base-Base interactions energy: -2097.026 where: short stacking energy: -923.337 Base-Backbone interact. energy: -2.498 local terms energy: -994.530557 where: bonds (distance) C4'-P energy: -190.845 bonds (distance) P-C4' energy: -205.684 flat angles C4'-P-C4' energy: -205.899 flat angles P-C4'-P energy: -142.113 tors. eta vs tors. theta energy: -249.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2995.539795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.539795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.539795 (E_RNA) where: Base-Base interactions energy: -2052.276 where: short stacking energy: -920.312 Base-Backbone interact. energy: 2.004 local terms energy: -945.267822 where: bonds (distance) C4'-P energy: -166.634 bonds (distance) P-C4' energy: -180.794 flat angles C4'-P-C4' energy: -203.952 flat angles P-C4'-P energy: -131.272 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: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2840.862840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.862840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.862840 (E_RNA) where: Base-Base interactions energy: -1945.879 where: short stacking energy: -910.985 Base-Backbone interact. energy: 1.647 local terms energy: -896.630000 where: bonds (distance) C4'-P energy: -154.050 bonds (distance) P-C4' energy: -180.842 flat angles C4'-P-C4' energy: -194.976 flat angles P-C4'-P energy: -109.121 tors. eta vs tors. theta energy: -257.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2624.968257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.968257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.968257 (E_RNA) where: Base-Base interactions energy: -1812.155 where: short stacking energy: -794.125 Base-Backbone interact. energy: 0.155 local terms energy: -812.968145 where: bonds (distance) C4'-P energy: -159.346 bonds (distance) P-C4' energy: -144.476 flat angles C4'-P-C4' energy: -177.781 flat angles P-C4'-P energy: -120.062 tors. eta vs tors. theta energy: -211.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2503.286878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.286878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.286878 (E_RNA) where: Base-Base interactions energy: -1674.855 where: short stacking energy: -736.306 Base-Backbone interact. energy: -3.026 local terms energy: -825.405955 where: bonds (distance) C4'-P energy: -157.035 bonds (distance) P-C4' energy: -174.918 flat angles C4'-P-C4' energy: -183.883 flat angles P-C4'-P energy: -121.139 tors. eta vs tors. theta energy: -188.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2229.038838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.038838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.038838 (E_RNA) where: Base-Base interactions energy: -1484.566 where: short stacking energy: -653.332 Base-Backbone interact. energy: -0.092 local terms energy: -744.381056 where: bonds (distance) C4'-P energy: -161.916 bonds (distance) P-C4' energy: -166.435 flat angles C4'-P-C4' energy: -179.866 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -143.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1941.942881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.942881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.942881 (E_RNA) where: Base-Base interactions energy: -1238.281 where: short stacking energy: -574.798 Base-Backbone interact. energy: 5.419 local terms energy: -709.080485 where: bonds (distance) C4'-P energy: -163.809 bonds (distance) P-C4' energy: -167.579 flat angles C4'-P-C4' energy: -140.854 flat angles P-C4'-P energy: -106.504 tors. eta vs tors. theta energy: -130.334 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: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1792.603900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.603900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.603900 (E_RNA) where: Base-Base interactions energy: -1183.867 where: short stacking energy: -504.586 Base-Backbone interact. energy: -0.525 local terms energy: -608.211543 where: bonds (distance) C4'-P energy: -132.064 bonds (distance) P-C4' energy: -133.337 flat angles C4'-P-C4' energy: -144.867 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -109.459 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: 9, replica: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1174.741108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.741108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.741108 (E_RNA) where: Base-Base interactions energy: -659.599 where: short stacking energy: -340.803 Base-Backbone interact. energy: -2.088 local terms energy: -513.053620 where: bonds (distance) C4'-P energy: -112.765 bonds (distance) P-C4' energy: -151.769 flat angles C4'-P-C4' energy: -150.018 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -855.956806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.956806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.956806 (E_RNA) where: Base-Base interactions energy: -402.523 where: short stacking energy: -255.199 Base-Backbone interact. energy: 4.900 local terms energy: -458.333732 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -147.332 flat angles C4'-P-C4' energy: -120.264 flat angles P-C4'-P energy: -77.859 tors. eta vs tors. theta energy: 16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3077.364171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.364171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.364171 (E_RNA) where: Base-Base interactions energy: -2111.258 where: short stacking energy: -920.353 Base-Backbone interact. energy: -4.610 local terms energy: -961.496502 where: bonds (distance) C4'-P energy: -169.497 bonds (distance) P-C4' energy: -196.562 flat angles C4'-P-C4' energy: -198.771 flat angles P-C4'-P energy: -137.262 tors. eta vs tors. theta energy: -259.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3024.737840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.737840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.737840 (E_RNA) where: Base-Base interactions energy: -2068.765 where: short stacking energy: -921.363 Base-Backbone interact. energy: -3.425 local terms energy: -952.547955 where: bonds (distance) C4'-P energy: -180.781 bonds (distance) P-C4' energy: -180.518 flat angles C4'-P-C4' energy: -194.980 flat angles P-C4'-P energy: -128.442 tors. eta vs tors. theta energy: -267.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2868.350337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.350337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.350337 (E_RNA) where: Base-Base interactions energy: -1918.796 where: short stacking energy: -896.549 Base-Backbone interact. energy: -3.359 local terms energy: -946.195518 where: bonds (distance) C4'-P energy: -174.052 bonds (distance) P-C4' energy: -173.616 flat angles C4'-P-C4' energy: -213.933 flat angles P-C4'-P energy: -122.682 tors. eta vs tors. theta energy: -261.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2611.235015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.235015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.235015 (E_RNA) where: Base-Base interactions energy: -1745.236 where: short stacking energy: -774.551 Base-Backbone interact. energy: 0.261 local terms energy: -866.259503 where: bonds (distance) C4'-P energy: -156.389 bonds (distance) P-C4' energy: -178.212 flat angles C4'-P-C4' energy: -193.440 flat angles P-C4'-P energy: -124.726 tors. eta vs tors. theta energy: -213.493 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: 341 Temperature: 1.100000 Total energy: -2493.205114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.205114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.205114 (E_RNA) where: Base-Base interactions energy: -1676.718 where: short stacking energy: -772.325 Base-Backbone interact. energy: -2.028 local terms energy: -814.459335 where: bonds (distance) C4'-P energy: -134.163 bonds (distance) P-C4' energy: -160.524 flat angles C4'-P-C4' energy: -187.932 flat angles P-C4'-P energy: -118.155 tors. eta vs tors. theta energy: -213.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2302.291587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.291587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.291587 (E_RNA) where: Base-Base interactions energy: -1539.454 where: short stacking energy: -650.194 Base-Backbone interact. energy: -0.493 local terms energy: -762.344468 where: bonds (distance) C4'-P energy: -157.541 bonds (distance) P-C4' energy: -153.950 flat angles C4'-P-C4' energy: -175.938 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -171.922 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: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1940.549893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.549893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.549893 (E_RNA) where: Base-Base interactions energy: -1270.230 where: short stacking energy: -571.450 Base-Backbone interact. energy: 3.026 local terms energy: -673.346649 where: bonds (distance) C4'-P energy: -159.739 bonds (distance) P-C4' energy: -137.322 flat angles C4'-P-C4' energy: -156.445 flat angles P-C4'-P energy: -100.257 tors. eta vs tors. theta energy: -119.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1804.186595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.186595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.186595 (E_RNA) where: Base-Base interactions energy: -1170.887 where: short stacking energy: -534.560 Base-Backbone interact. energy: -1.677 local terms energy: -631.622203 where: bonds (distance) C4'-P energy: -143.028 bonds (distance) P-C4' energy: -158.802 flat angles C4'-P-C4' energy: -138.693 flat angles P-C4'-P energy: -102.982 tors. eta vs tors. theta energy: -88.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1173.122619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.122619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.122619 (E_RNA) where: Base-Base interactions energy: -643.564 where: short stacking energy: -377.364 Base-Backbone interact. energy: 3.357 local terms energy: -532.915845 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -145.064 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -85.036 tors. eta vs tors. theta energy: -46.939 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: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -834.666467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.666467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.666467 (E_RNA) where: Base-Base interactions energy: -395.322 where: short stacking energy: -223.152 Base-Backbone interact. energy: -0.842 local terms energy: -438.501951 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -153.546 flat angles C4'-P-C4' energy: -102.264 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: 40.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3056.648950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.648950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.648950 (E_RNA) where: Base-Base interactions energy: -2107.941 where: short stacking energy: -924.367 Base-Backbone interact. energy: -1.816 local terms energy: -946.892223 where: bonds (distance) C4'-P energy: -173.033 bonds (distance) P-C4' energy: -172.551 flat angles C4'-P-C4' energy: -197.367 flat angles P-C4'-P energy: -142.394 tors. eta vs tors. theta energy: -261.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3006.473207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.473207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.473207 (E_RNA) where: Base-Base interactions energy: -2066.333 where: short stacking energy: -896.884 Base-Backbone interact. energy: -0.911 local terms energy: -939.228984 where: bonds (distance) C4'-P energy: -182.260 bonds (distance) P-C4' energy: -176.712 flat angles C4'-P-C4' energy: -201.451 flat angles P-C4'-P energy: -122.636 tors. eta vs tors. theta energy: -256.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2863.575811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.575811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.575811 (E_RNA) where: Base-Base interactions energy: -1955.198 where: short stacking energy: -869.635 Base-Backbone interact. energy: -1.035 local terms energy: -907.342392 where: bonds (distance) C4'-P energy: -149.752 bonds (distance) P-C4' energy: -157.288 flat angles C4'-P-C4' energy: -201.502 flat angles P-C4'-P energy: -140.366 tors. eta vs tors. theta energy: -258.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2643.373602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.373602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.373602 (E_RNA) where: Base-Base interactions energy: -1795.377 where: short stacking energy: -825.356 Base-Backbone interact. energy: -3.075 local terms energy: -844.921773 where: bonds (distance) C4'-P energy: -137.775 bonds (distance) P-C4' energy: -167.462 flat angles C4'-P-C4' energy: -192.058 flat angles P-C4'-P energy: -121.492 tors. eta vs tors. theta energy: -226.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2449.820296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.820296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.820296 (E_RNA) where: Base-Base interactions energy: -1654.531 where: short stacking energy: -736.778 Base-Backbone interact. energy: 1.034 local terms energy: -796.323466 where: bonds (distance) C4'-P energy: -169.739 bonds (distance) P-C4' energy: -155.085 flat angles C4'-P-C4' energy: -173.142 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -184.515 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: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2312.890164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.890164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.890164 (E_RNA) where: Base-Base interactions energy: -1544.616 where: short stacking energy: -675.245 Base-Backbone interact. energy: -4.045 local terms energy: -764.229358 where: bonds (distance) C4'-P energy: -157.312 bonds (distance) P-C4' energy: -165.450 flat angles C4'-P-C4' energy: -178.031 flat angles P-C4'-P energy: -86.043 tors. eta vs tors. theta energy: -177.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1956.628186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.628186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.628186 (E_RNA) where: Base-Base interactions energy: -1221.132 where: short stacking energy: -560.998 Base-Backbone interact. energy: -0.478 local terms energy: -735.018896 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -170.295 flat angles P-C4'-P energy: -115.788 tors. eta vs tors. theta energy: -145.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1776.218403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.218403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.218403 (E_RNA) where: Base-Base interactions energy: -1132.043 where: short stacking energy: -525.446 Base-Backbone interact. energy: 5.202 local terms energy: -649.378187 where: bonds (distance) C4'-P energy: -152.276 bonds (distance) P-C4' energy: -155.281 flat angles C4'-P-C4' energy: -153.678 flat angles P-C4'-P energy: -88.436 tors. eta vs tors. theta energy: -99.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1165.093823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.093823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.093823 (E_RNA) where: Base-Base interactions energy: -646.196 where: short stacking energy: -324.392 Base-Backbone interact. energy: 4.751 local terms energy: -523.648097 where: bonds (distance) C4'-P energy: -153.987 bonds (distance) P-C4' energy: -157.747 flat angles C4'-P-C4' energy: -143.756 flat angles P-C4'-P energy: -70.322 tors. eta vs tors. theta energy: 2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -882.158641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.158641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.158641 (E_RNA) where: Base-Base interactions energy: -430.364 where: short stacking energy: -264.460 Base-Backbone interact. energy: -0.249 local terms energy: -451.545595 where: bonds (distance) C4'-P energy: -137.500 bonds (distance) P-C4' energy: -135.032 flat angles C4'-P-C4' energy: -154.037 flat angles P-C4'-P energy: -41.782 tors. eta vs tors. theta energy: 16.805 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: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3099.736203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.736203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.736203 (E_RNA) where: Base-Base interactions energy: -2117.759 where: short stacking energy: -924.402 Base-Backbone interact. energy: -3.950 local terms energy: -978.027543 where: bonds (distance) C4'-P energy: -193.744 bonds (distance) P-C4' energy: -177.418 flat angles C4'-P-C4' energy: -200.097 flat angles P-C4'-P energy: -138.911 tors. eta vs tors. theta energy: -267.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2985.594739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.594739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.594739 (E_RNA) where: Base-Base interactions energy: -2022.810 where: short stacking energy: -896.079 Base-Backbone interact. energy: -2.995 local terms energy: -959.789836 where: bonds (distance) C4'-P energy: -178.318 bonds (distance) P-C4' energy: -194.472 flat angles C4'-P-C4' energy: -202.309 flat angles P-C4'-P energy: -128.682 tors. eta vs tors. theta energy: -256.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2864.023116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.023116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.023116 (E_RNA) where: Base-Base interactions energy: -1946.644 where: short stacking energy: -905.358 Base-Backbone interact. energy: 3.714 local terms energy: -921.092515 where: bonds (distance) C4'-P energy: -172.230 bonds (distance) P-C4' energy: -156.838 flat angles C4'-P-C4' energy: -206.539 flat angles P-C4'-P energy: -126.900 tors. eta vs tors. theta energy: -258.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2662.200061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.200061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.200061 (E_RNA) where: Base-Base interactions energy: -1798.647 where: short stacking energy: -802.196 Base-Backbone interact. energy: -3.750 local terms energy: -859.803113 where: bonds (distance) C4'-P energy: -166.981 bonds (distance) P-C4' energy: -155.405 flat angles C4'-P-C4' energy: -180.680 flat angles P-C4'-P energy: -133.071 tors. eta vs tors. theta energy: -223.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2456.997773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.997773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.997773 (E_RNA) where: Base-Base interactions energy: -1640.454 where: short stacking energy: -744.540 Base-Backbone interact. energy: 1.717 local terms energy: -818.260243 where: bonds (distance) C4'-P energy: -149.602 bonds (distance) P-C4' energy: -169.029 flat angles C4'-P-C4' energy: -193.909 flat angles P-C4'-P energy: -109.895 tors. eta vs tors. theta energy: -195.825 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2294.791762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.791762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.791762 (E_RNA) where: Base-Base interactions energy: -1519.733 where: short stacking energy: -696.656 Base-Backbone interact. energy: 3.105 local terms energy: -778.163652 where: bonds (distance) C4'-P energy: -157.535 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -183.490 flat angles P-C4'-P energy: -116.210 tors. eta vs tors. theta energy: -170.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1947.093943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.093943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.093943 (E_RNA) where: Base-Base interactions energy: -1248.146 where: short stacking energy: -596.343 Base-Backbone interact. energy: -2.297 local terms energy: -696.650567 where: bonds (distance) C4'-P energy: -139.683 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -156.562 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -162.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1815.393948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.393948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.393948 (E_RNA) where: Base-Base interactions energy: -1173.394 where: short stacking energy: -530.111 Base-Backbone interact. energy: 1.012 local terms energy: -643.012158 where: bonds (distance) C4'-P energy: -143.454 bonds (distance) P-C4' energy: -147.066 flat angles C4'-P-C4' energy: -149.705 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -111.459 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: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1114.535922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.535922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.535922 (E_RNA) where: Base-Base interactions energy: -554.610 where: short stacking energy: -312.095 Base-Backbone interact. energy: -1.737 local terms energy: -558.189074 where: bonds (distance) C4'-P energy: -156.192 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -147.718 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -23.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -867.048050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.048050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.048050 (E_RNA) where: Base-Base interactions energy: -409.937 where: short stacking energy: -270.562 Base-Backbone interact. energy: 11.132 local terms energy: -468.242924 where: bonds (distance) C4'-P energy: -139.230 bonds (distance) P-C4' energy: -156.355 flat angles C4'-P-C4' energy: -124.177 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: 9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3100.503035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.503035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.503035 (E_RNA) where: Base-Base interactions energy: -2150.417 where: short stacking energy: -967.612 Base-Backbone interact. energy: -1.346 local terms energy: -948.739981 where: bonds (distance) C4'-P energy: -173.529 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -205.166 flat angles P-C4'-P energy: -134.243 tors. eta vs tors. theta energy: -278.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2994.593231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.593231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.593231 (E_RNA) where: Base-Base interactions energy: -2062.653 where: short stacking energy: -889.932 Base-Backbone interact. energy: -5.287 local terms energy: -926.653661 where: bonds (distance) C4'-P energy: -169.851 bonds (distance) P-C4' energy: -168.278 flat angles C4'-P-C4' energy: -205.725 flat angles P-C4'-P energy: -124.956 tors. eta vs tors. theta energy: -257.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2864.371010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.371010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.371010 (E_RNA) where: Base-Base interactions energy: -1919.158 where: short stacking energy: -858.900 Base-Backbone interact. energy: -2.610 local terms energy: -942.603175 where: bonds (distance) C4'-P energy: -177.158 bonds (distance) P-C4' energy: -184.493 flat angles C4'-P-C4' energy: -197.220 flat angles P-C4'-P energy: -134.994 tors. eta vs tors. theta energy: -248.738 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: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2630.099692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.099692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.099692 (E_RNA) where: Base-Base interactions energy: -1807.258 where: short stacking energy: -795.650 Base-Backbone interact. energy: -1.753 local terms energy: -821.088265 where: bonds (distance) C4'-P energy: -153.095 bonds (distance) P-C4' energy: -162.476 flat angles C4'-P-C4' energy: -171.405 flat angles P-C4'-P energy: -110.794 tors. eta vs tors. theta energy: -223.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2536.517126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.517126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.517126 (E_RNA) where: Base-Base interactions energy: -1725.530 where: short stacking energy: -761.797 Base-Backbone interact. energy: -2.153 local terms energy: -808.834683 where: bonds (distance) C4'-P energy: -153.244 bonds (distance) P-C4' energy: -174.033 flat angles C4'-P-C4' energy: -184.425 flat angles P-C4'-P energy: -114.711 tors. eta vs tors. theta energy: -182.422 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: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2341.795513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.795513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.795513 (E_RNA) where: Base-Base interactions energy: -1567.796 where: short stacking energy: -726.437 Base-Backbone interact. energy: 2.800 local terms energy: -776.799242 where: bonds (distance) C4'-P energy: -144.983 bonds (distance) P-C4' energy: -155.863 flat angles C4'-P-C4' energy: -170.035 flat angles P-C4'-P energy: -115.331 tors. eta vs tors. theta energy: -190.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1949.661138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.661138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.661138 (E_RNA) where: Base-Base interactions energy: -1270.243 where: short stacking energy: -566.723 Base-Backbone interact. energy: 2.812 local terms energy: -682.229797 where: bonds (distance) C4'-P energy: -147.064 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -147.836 flat angles P-C4'-P energy: -92.514 tors. eta vs tors. theta energy: -133.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1810.174745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.174745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.174745 (E_RNA) where: Base-Base interactions energy: -1194.875 where: short stacking energy: -532.565 Base-Backbone interact. energy: -2.330 local terms energy: -612.969466 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -152.982 flat angles C4'-P-C4' energy: -144.724 flat angles P-C4'-P energy: -79.697 tors. eta vs tors. theta energy: -93.519 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1032.803438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.803438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.803438 (E_RNA) where: Base-Base interactions energy: -556.096 where: short stacking energy: -309.135 Base-Backbone interact. energy: 0.874 local terms energy: -477.581445 where: bonds (distance) C4'-P energy: -145.708 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -116.205 flat angles P-C4'-P energy: -68.966 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -840.104650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.104650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.104650 (E_RNA) where: Base-Base interactions energy: -406.340 where: short stacking energy: -278.086 Base-Backbone interact. energy: 1.167 local terms energy: -434.932099 where: bonds (distance) C4'-P energy: -129.742 bonds (distance) P-C4' energy: -141.851 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: 22.542 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: 345 Temperature: 0.900000 Total energy: -3076.497396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.497396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.497396 (E_RNA) where: Base-Base interactions energy: -2095.493 where: short stacking energy: -921.557 Base-Backbone interact. energy: -4.530 local terms energy: -976.473726 where: bonds (distance) C4'-P energy: -186.892 bonds (distance) P-C4' energy: -178.203 flat angles C4'-P-C4' energy: -208.369 flat angles P-C4'-P energy: -139.964 tors. eta vs tors. theta energy: -263.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2992.761357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.761357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.761357 (E_RNA) where: Base-Base interactions energy: -2041.552 where: short stacking energy: -888.816 Base-Backbone interact. energy: -1.575 local terms energy: -949.633553 where: bonds (distance) C4'-P energy: -177.095 bonds (distance) P-C4' energy: -180.775 flat angles C4'-P-C4' energy: -202.756 flat angles P-C4'-P energy: -139.003 tors. eta vs tors. theta energy: -250.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2918.635492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.635492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.635492 (E_RNA) where: Base-Base interactions energy: -1974.805 where: short stacking energy: -911.297 Base-Backbone interact. energy: 1.187 local terms energy: -945.018054 where: bonds (distance) C4'-P energy: -176.036 bonds (distance) P-C4' energy: -180.632 flat angles C4'-P-C4' energy: -203.641 flat angles P-C4'-P energy: -122.557 tors. eta vs tors. theta energy: -262.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2691.958857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.958857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.958857 (E_RNA) where: Base-Base interactions energy: -1828.978 where: short stacking energy: -811.328 Base-Backbone interact. energy: -2.201 local terms energy: -860.779924 where: bonds (distance) C4'-P energy: -147.607 bonds (distance) P-C4' energy: -178.039 flat angles C4'-P-C4' energy: -188.832 flat angles P-C4'-P energy: -116.154 tors. eta vs tors. theta energy: -230.148 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: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2461.583936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.583936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.583936 (E_RNA) where: Base-Base interactions energy: -1660.168 where: short stacking energy: -731.125 Base-Backbone interact. energy: -3.949 local terms energy: -797.466844 where: bonds (distance) C4'-P energy: -158.465 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -176.590 flat angles P-C4'-P energy: -112.377 tors. eta vs tors. theta energy: -196.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2293.387525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.387525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.387525 (E_RNA) where: Base-Base interactions energy: -1568.133 where: short stacking energy: -670.754 Base-Backbone interact. energy: -4.480 local terms energy: -720.773963 where: bonds (distance) C4'-P energy: -128.892 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -175.002 flat angles P-C4'-P energy: -106.094 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: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1956.472720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.472720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.472720 (E_RNA) where: Base-Base interactions energy: -1271.767 where: short stacking energy: -576.404 Base-Backbone interact. energy: 2.746 local terms energy: -687.452505 where: bonds (distance) C4'-P energy: -129.635 bonds (distance) P-C4' energy: -169.144 flat angles C4'-P-C4' energy: -153.862 flat angles P-C4'-P energy: -91.437 tors. eta vs tors. theta energy: -143.374 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: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1767.396689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.396689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.396689 (E_RNA) where: Base-Base interactions energy: -1134.979 where: short stacking energy: -527.148 Base-Backbone interact. energy: 1.329 local terms energy: -633.746650 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -163.039 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -97.627 tors. eta vs tors. theta energy: -97.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1019.956866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.956866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.956866 (E_RNA) where: Base-Base interactions energy: -499.668 where: short stacking energy: -291.155 Base-Backbone interact. energy: 1.594 local terms energy: -521.882838 where: bonds (distance) C4'-P energy: -143.057 bonds (distance) P-C4' energy: -151.114 flat angles C4'-P-C4' energy: -124.885 flat angles P-C4'-P energy: -90.163 tors. eta vs tors. theta energy: -12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -828.304647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.304647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.304647 (E_RNA) where: Base-Base interactions energy: -374.925 where: short stacking energy: -235.149 Base-Backbone interact. energy: 4.536 local terms energy: -457.916051 where: bonds (distance) C4'-P energy: -146.093 bonds (distance) P-C4' energy: -144.949 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -80.534 tors. eta vs tors. theta energy: 2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3065.960898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.960898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.960898 (E_RNA) where: Base-Base interactions energy: -2100.857 where: short stacking energy: -924.508 Base-Backbone interact. energy: -3.277 local terms energy: -961.826269 where: bonds (distance) C4'-P energy: -174.574 bonds (distance) P-C4' energy: -185.750 flat angles C4'-P-C4' energy: -201.819 flat angles P-C4'-P energy: -136.297 tors. eta vs tors. theta energy: -263.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3025.280020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.280020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.280020 (E_RNA) where: Base-Base interactions energy: -2065.657 where: short stacking energy: -907.886 Base-Backbone interact. energy: -4.260 local terms energy: -955.362666 where: bonds (distance) C4'-P energy: -184.298 bonds (distance) P-C4' energy: -176.242 flat angles C4'-P-C4' energy: -192.598 flat angles P-C4'-P energy: -131.770 tors. eta vs tors. theta energy: -270.455 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2813.708788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.708788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.708788 (E_RNA) where: Base-Base interactions energy: -1900.415 where: short stacking energy: -826.694 Base-Backbone interact. energy: -3.322 local terms energy: -909.971843 where: bonds (distance) C4'-P energy: -168.519 bonds (distance) P-C4' energy: -170.414 flat angles C4'-P-C4' energy: -195.955 flat angles P-C4'-P energy: -126.220 tors. eta vs tors. theta energy: -248.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2690.074582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.074582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.074582 (E_RNA) where: Base-Base interactions energy: -1866.462 where: short stacking energy: -818.218 Base-Backbone interact. energy: -0.984 local terms energy: -822.629213 where: bonds (distance) C4'-P energy: -156.704 bonds (distance) P-C4' energy: -154.021 flat angles C4'-P-C4' energy: -177.706 flat angles P-C4'-P energy: -117.973 tors. eta vs tors. theta energy: -216.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2451.824251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.824251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.824251 (E_RNA) where: Base-Base interactions energy: -1663.710 where: short stacking energy: -755.172 Base-Backbone interact. energy: 0.647 local terms energy: -788.761047 where: bonds (distance) C4'-P energy: -147.211 bonds (distance) P-C4' energy: -142.964 flat angles C4'-P-C4' energy: -187.341 flat angles P-C4'-P energy: -113.309 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: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2300.005028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.005028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.005028 (E_RNA) where: Base-Base interactions energy: -1515.059 where: short stacking energy: -670.119 Base-Backbone interact. energy: 0.448 local terms energy: -785.394773 where: bonds (distance) C4'-P energy: -163.041 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -167.164 flat angles P-C4'-P energy: -107.275 tors. eta vs tors. theta energy: -184.870 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: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1853.795227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.795227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.795227 (E_RNA) where: Base-Base interactions energy: -1163.024 where: short stacking energy: -545.327 Base-Backbone interact. energy: -0.994 local terms energy: -689.777296 where: bonds (distance) C4'-P energy: -150.208 bonds (distance) P-C4' energy: -154.634 flat angles C4'-P-C4' energy: -171.132 flat angles P-C4'-P energy: -96.264 tors. eta vs tors. theta energy: -117.540 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: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1799.479103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.479103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.479103 (E_RNA) where: Base-Base interactions energy: -1142.986 where: short stacking energy: -538.770 Base-Backbone interact. energy: -3.202 local terms energy: -653.291613 where: bonds (distance) C4'-P energy: -139.033 bonds (distance) P-C4' energy: -153.661 flat angles C4'-P-C4' energy: -149.817 flat angles P-C4'-P energy: -105.240 tors. eta vs tors. theta energy: -105.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1035.999894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.999894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.999894 (E_RNA) where: Base-Base interactions energy: -537.213 where: short stacking energy: -317.022 Base-Backbone interact. energy: 1.597 local terms energy: -500.383885 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -144.525 flat angles C4'-P-C4' energy: -122.764 flat angles P-C4'-P energy: -97.808 tors. eta vs tors. theta energy: 1.920 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: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -859.986939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.986939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.986939 (E_RNA) where: Base-Base interactions energy: -397.779 where: short stacking energy: -243.084 Base-Backbone interact. energy: 2.547 local terms energy: -464.755030 where: bonds (distance) C4'-P energy: -139.301 bonds (distance) P-C4' energy: -152.541 flat angles C4'-P-C4' energy: -128.649 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: 18.838 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: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3057.355320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.355320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.355320 (E_RNA) where: Base-Base interactions energy: -2099.335 where: short stacking energy: -917.466 Base-Backbone interact. energy: -2.904 local terms energy: -955.116400 where: bonds (distance) C4'-P energy: -162.373 bonds (distance) P-C4' energy: -186.491 flat angles C4'-P-C4' energy: -203.672 flat angles P-C4'-P energy: -142.101 tors. eta vs tors. theta energy: -260.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2954.310968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.310968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.310968 (E_RNA) where: Base-Base interactions energy: -2001.698 where: short stacking energy: -892.793 Base-Backbone interact. energy: -2.863 local terms energy: -949.749803 where: bonds (distance) C4'-P energy: -180.048 bonds (distance) P-C4' energy: -172.818 flat angles C4'-P-C4' energy: -196.518 flat angles P-C4'-P energy: -131.856 tors. eta vs tors. theta energy: -268.509 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2853.098064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.098064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.098064 (E_RNA) where: Base-Base interactions energy: -1914.462 where: short stacking energy: -884.849 Base-Backbone interact. energy: -6.676 local terms energy: -931.959874 where: bonds (distance) C4'-P energy: -173.689 bonds (distance) P-C4' energy: -192.320 flat angles C4'-P-C4' energy: -195.718 flat angles P-C4'-P energy: -118.835 tors. eta vs tors. theta energy: -251.398 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: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2725.820099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.820099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.820099 (E_RNA) where: Base-Base interactions energy: -1848.097 where: short stacking energy: -809.527 Base-Backbone interact. energy: -2.421 local terms energy: -875.301747 where: bonds (distance) C4'-P energy: -162.029 bonds (distance) P-C4' energy: -171.115 flat angles C4'-P-C4' energy: -195.171 flat angles P-C4'-P energy: -127.305 tors. eta vs tors. theta energy: -219.682 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: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2449.851349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.851349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.851349 (E_RNA) where: Base-Base interactions energy: -1658.798 where: short stacking energy: -742.936 Base-Backbone interact. energy: 2.340 local terms energy: -793.393459 where: bonds (distance) C4'-P energy: -177.681 bonds (distance) P-C4' energy: -144.152 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -106.438 tors. eta vs tors. theta energy: -191.795 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: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2321.262552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.262552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.262552 (E_RNA) where: Base-Base interactions energy: -1530.611 where: short stacking energy: -682.209 Base-Backbone interact. energy: -2.166 local terms energy: -788.485616 where: bonds (distance) C4'-P energy: -162.797 bonds (distance) P-C4' energy: -167.698 flat angles C4'-P-C4' energy: -180.750 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -168.832 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1894.215271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.215271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.215271 (E_RNA) where: Base-Base interactions energy: -1194.618 where: short stacking energy: -558.160 Base-Backbone interact. energy: 0.945 local terms energy: -700.542573 where: bonds (distance) C4'-P energy: -152.374 bonds (distance) P-C4' energy: -156.339 flat angles C4'-P-C4' energy: -156.173 flat angles P-C4'-P energy: -100.572 tors. eta vs tors. theta energy: -135.086 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: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1831.632279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.632279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.632279 (E_RNA) where: Base-Base interactions energy: -1149.013 where: short stacking energy: -523.561 Base-Backbone interact. energy: -0.105 local terms energy: -682.514513 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -145.275 flat angles C4'-P-C4' energy: -170.091 flat angles P-C4'-P energy: -86.421 tors. eta vs tors. theta energy: -128.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1042.498572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.498572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.498572 (E_RNA) where: Base-Base interactions energy: -494.481 where: short stacking energy: -296.919 Base-Backbone interact. energy: -1.518 local terms energy: -546.499320 where: bonds (distance) C4'-P energy: -150.659 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -155.715 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -16.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -827.567940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.567940 (E_RNA) where: Base-Base interactions energy: -395.197 where: short stacking energy: -231.733 Base-Backbone interact. energy: 0.778 local terms energy: -433.149660 where: bonds (distance) C4'-P energy: -144.261 bonds (distance) P-C4' energy: -132.164 flat angles C4'-P-C4' energy: -122.158 flat angles P-C4'-P energy: -61.806 tors. eta vs tors. theta energy: 27.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3036.135119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.135119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.135119 (E_RNA) where: Base-Base interactions energy: -2089.666 where: short stacking energy: -900.752 Base-Backbone interact. energy: -1.841 local terms energy: -944.628529 where: bonds (distance) C4'-P energy: -177.811 bonds (distance) P-C4' energy: -188.485 flat angles C4'-P-C4' energy: -192.322 flat angles P-C4'-P energy: -129.716 tors. eta vs tors. theta energy: -256.296 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: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2981.274425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.274425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.274425 (E_RNA) where: Base-Base interactions energy: -2039.769 where: short stacking energy: -914.448 Base-Backbone interact. energy: 1.648 local terms energy: -943.153384 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -192.236 flat angles C4'-P-C4' energy: -200.964 flat angles P-C4'-P energy: -133.686 tors. eta vs tors. theta energy: -264.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2792.445144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.445144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.445144 (E_RNA) where: Base-Base interactions energy: -1893.788 where: short stacking energy: -845.831 Base-Backbone interact. energy: -2.080 local terms energy: -896.577225 where: bonds (distance) C4'-P energy: -178.613 bonds (distance) P-C4' energy: -184.868 flat angles C4'-P-C4' energy: -182.177 flat angles P-C4'-P energy: -113.697 tors. eta vs tors. theta energy: -237.222 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: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2643.592629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.592629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.592629 (E_RNA) where: Base-Base interactions energy: -1806.461 where: short stacking energy: -788.031 Base-Backbone interact. energy: 4.242 local terms energy: -841.373558 where: bonds (distance) C4'-P energy: -135.381 bonds (distance) P-C4' energy: -160.939 flat angles C4'-P-C4' energy: -187.885 flat angles P-C4'-P energy: -130.371 tors. eta vs tors. theta energy: -226.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2483.772409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.772409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.772409 (E_RNA) where: Base-Base interactions energy: -1692.781 where: short stacking energy: -769.910 Base-Backbone interact. energy: -2.597 local terms energy: -788.394443 where: bonds (distance) C4'-P energy: -145.283 bonds (distance) P-C4' energy: -154.901 flat angles C4'-P-C4' energy: -194.390 flat angles P-C4'-P energy: -94.189 tors. eta vs tors. theta energy: -199.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2297.072874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.072874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.072874 (E_RNA) where: Base-Base interactions energy: -1543.093 where: short stacking energy: -653.172 Base-Backbone interact. energy: -1.390 local terms energy: -752.589648 where: bonds (distance) C4'-P energy: -157.790 bonds (distance) P-C4' energy: -165.333 flat angles C4'-P-C4' energy: -187.709 flat angles P-C4'-P energy: -93.875 tors. eta vs tors. theta energy: -147.882 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1929.457244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.457244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.457244 (E_RNA) where: Base-Base interactions energy: -1270.752 where: short stacking energy: -564.990 Base-Backbone interact. energy: -2.483 local terms energy: -656.222447 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -147.237 flat angles P-C4'-P energy: -95.378 tors. eta vs tors. theta energy: -112.734 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: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1763.484423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.484423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.484423 (E_RNA) where: Base-Base interactions energy: -1138.931 where: short stacking energy: -508.270 Base-Backbone interact. energy: 3.799 local terms energy: -628.353030 where: bonds (distance) C4'-P energy: -136.839 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -130.535 flat angles P-C4'-P energy: -78.979 tors. eta vs tors. theta energy: -119.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1088.212856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.212856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.212856 (E_RNA) where: Base-Base interactions energy: -586.708 where: short stacking energy: -335.846 Base-Backbone interact. energy: 9.230 local terms energy: -510.734844 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -141.078 flat angles C4'-P-C4' energy: -122.506 flat angles P-C4'-P energy: -82.847 tors. eta vs tors. theta energy: -26.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -757.211465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.211465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.211465 (E_RNA) where: Base-Base interactions energy: -257.139 where: short stacking energy: -179.214 Base-Backbone interact. energy: -1.856 local terms energy: -498.216714 where: bonds (distance) C4'-P energy: -151.183 bonds (distance) P-C4' energy: -151.016 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -84.105 tors. eta vs tors. theta energy: 10.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3069.645547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.645547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.645547 (E_RNA) where: Base-Base interactions energy: -2126.938 where: short stacking energy: -945.143 Base-Backbone interact. energy: 0.627 local terms energy: -943.334730 where: bonds (distance) C4'-P energy: -158.577 bonds (distance) P-C4' energy: -190.067 flat angles C4'-P-C4' energy: -200.588 flat angles P-C4'-P energy: -132.780 tors. eta vs tors. theta energy: -261.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2990.202636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.202636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.202636 (E_RNA) where: Base-Base interactions energy: -2038.473 where: short stacking energy: -923.067 Base-Backbone interact. energy: -2.199 local terms energy: -949.530703 where: bonds (distance) C4'-P energy: -180.267 bonds (distance) P-C4' energy: -174.593 flat angles C4'-P-C4' energy: -195.405 flat angles P-C4'-P energy: -128.920 tors. eta vs tors. theta energy: -270.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2787.439551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.439551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.439551 (E_RNA) where: Base-Base interactions energy: -1886.070 where: short stacking energy: -868.494 Base-Backbone interact. energy: -2.831 local terms energy: -898.538779 where: bonds (distance) C4'-P energy: -169.243 bonds (distance) P-C4' energy: -164.817 flat angles C4'-P-C4' energy: -185.764 flat angles P-C4'-P energy: -128.364 tors. eta vs tors. theta energy: -250.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2673.173533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.173533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.173533 (E_RNA) where: Base-Base interactions energy: -1821.524 where: short stacking energy: -802.766 Base-Backbone interact. energy: -0.415 local terms energy: -851.234594 where: bonds (distance) C4'-P energy: -165.610 bonds (distance) P-C4' energy: -159.487 flat angles C4'-P-C4' energy: -181.304 flat angles P-C4'-P energy: -113.441 tors. eta vs tors. theta energy: -231.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2500.545708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.545708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.545708 (E_RNA) where: Base-Base interactions energy: -1678.320 where: short stacking energy: -758.834 Base-Backbone interact. energy: -1.146 local terms energy: -821.079073 where: bonds (distance) C4'-P energy: -168.124 bonds (distance) P-C4' energy: -148.058 flat angles C4'-P-C4' energy: -187.162 flat angles P-C4'-P energy: -105.684 tors. eta vs tors. theta energy: -212.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2264.267808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.267808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.267808 (E_RNA) where: Base-Base interactions energy: -1536.507 where: short stacking energy: -669.447 Base-Backbone interact. energy: -2.408 local terms energy: -725.352861 where: bonds (distance) C4'-P energy: -145.324 bonds (distance) P-C4' energy: -156.318 flat angles C4'-P-C4' energy: -178.820 flat angles P-C4'-P energy: -77.446 tors. eta vs tors. theta energy: -167.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1951.169924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.169924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.169924 (E_RNA) where: Base-Base interactions energy: -1230.916 where: short stacking energy: -562.337 Base-Backbone interact. energy: -1.667 local terms energy: -718.587462 where: bonds (distance) C4'-P energy: -157.802 bonds (distance) P-C4' energy: -178.521 flat angles C4'-P-C4' energy: -156.597 flat angles P-C4'-P energy: -104.007 tors. eta vs tors. theta energy: -121.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1762.969810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.969810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.969810 (E_RNA) where: Base-Base interactions energy: -1102.948 where: short stacking energy: -513.231 Base-Backbone interact. energy: -1.316 local terms energy: -658.705802 where: bonds (distance) C4'-P energy: -177.697 bonds (distance) P-C4' energy: -150.712 flat angles C4'-P-C4' energy: -145.834 flat angles P-C4'-P energy: -86.255 tors. eta vs tors. theta energy: -98.208 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: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1114.047349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.047349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.047349 (E_RNA) where: Base-Base interactions energy: -596.069 where: short stacking energy: -319.518 Base-Backbone interact. energy: -2.096 local terms energy: -515.881909 where: bonds (distance) C4'-P energy: -141.442 bonds (distance) P-C4' energy: -133.175 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -83.544 tors. eta vs tors. theta energy: -18.593 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: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -751.535010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.535010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.535010 (E_RNA) where: Base-Base interactions energy: -277.682 where: short stacking energy: -199.240 Base-Backbone interact. energy: -0.798 local terms energy: -473.055435 where: bonds (distance) C4'-P energy: -143.243 bonds (distance) P-C4' energy: -153.349 flat angles C4'-P-C4' energy: -126.348 flat angles P-C4'-P energy: -70.494 tors. eta vs tors. theta energy: 20.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3102.348440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.348440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.348440 (E_RNA) where: Base-Base interactions energy: -2125.377 where: short stacking energy: -958.720 Base-Backbone interact. energy: -2.572 local terms energy: -974.399240 where: bonds (distance) C4'-P energy: -186.789 bonds (distance) P-C4' energy: -178.994 flat angles C4'-P-C4' energy: -198.855 flat angles P-C4'-P energy: -130.229 tors. eta vs tors. theta energy: -279.531 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: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2988.802310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.802310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.802310 (E_RNA) where: Base-Base interactions energy: -2088.036 where: short stacking energy: -942.022 Base-Backbone interact. energy: -6.870 local terms energy: -893.895905 where: bonds (distance) C4'-P energy: -159.706 bonds (distance) P-C4' energy: -149.714 flat angles C4'-P-C4' energy: -198.551 flat angles P-C4'-P energy: -116.437 tors. eta vs tors. theta energy: -269.487 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: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2836.968558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.968558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.968558 (E_RNA) where: Base-Base interactions energy: -1934.801 where: short stacking energy: -866.766 Base-Backbone interact. energy: 1.670 local terms energy: -903.837522 where: bonds (distance) C4'-P energy: -164.528 bonds (distance) P-C4' energy: -162.390 flat angles C4'-P-C4' energy: -204.611 flat angles P-C4'-P energy: -123.674 tors. eta vs tors. theta energy: -248.635 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: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2646.238109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.238109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.238109 (E_RNA) where: Base-Base interactions energy: -1812.175 where: short stacking energy: -789.506 Base-Backbone interact. energy: 3.811 local terms energy: -837.874325 where: bonds (distance) C4'-P energy: -158.955 bonds (distance) P-C4' energy: -157.675 flat angles C4'-P-C4' energy: -176.483 flat angles P-C4'-P energy: -120.061 tors. eta vs tors. theta energy: -224.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2464.728585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.728585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.728585 (E_RNA) where: Base-Base interactions energy: -1662.271 where: short stacking energy: -729.896 Base-Backbone interact. energy: -3.008 local terms energy: -799.449071 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -167.372 flat angles C4'-P-C4' energy: -173.692 flat angles P-C4'-P energy: -117.072 tors. eta vs tors. theta energy: -194.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2269.321513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.321513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.321513 (E_RNA) where: Base-Base interactions energy: -1512.738 where: short stacking energy: -671.898 Base-Backbone interact. energy: -4.833 local terms energy: -751.749817 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -156.068 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -104.570 tors. eta vs tors. theta energy: -189.100 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: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1967.385907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.385907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.385907 (E_RNA) where: Base-Base interactions energy: -1272.835 where: short stacking energy: -561.768 Base-Backbone interact. energy: -0.539 local terms energy: -694.011889 where: bonds (distance) C4'-P energy: -148.777 bonds (distance) P-C4' energy: -158.829 flat angles C4'-P-C4' energy: -161.790 flat angles P-C4'-P energy: -101.877 tors. eta vs tors. theta energy: -122.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1715.805409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.805409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.805409 (E_RNA) where: Base-Base interactions energy: -1084.623 where: short stacking energy: -495.946 Base-Backbone interact. energy: 0.089 local terms energy: -631.271660 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -156.335 flat angles C4'-P-C4' energy: -150.053 flat angles P-C4'-P energy: -101.663 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1049.224466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.224466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.224466 (E_RNA) where: Base-Base interactions energy: -536.194 where: short stacking energy: -285.123 Base-Backbone interact. energy: 0.469 local terms energy: -513.498975 where: bonds (distance) C4'-P energy: -140.068 bonds (distance) P-C4' energy: -158.468 flat angles C4'-P-C4' energy: -131.422 flat angles P-C4'-P energy: -82.204 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -752.925165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.925165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.925165 (E_RNA) where: Base-Base interactions energy: -280.523 where: short stacking energy: -176.796 Base-Backbone interact. energy: 8.211 local terms energy: -480.613135 where: bonds (distance) C4'-P energy: -140.045 bonds (distance) P-C4' energy: -159.479 flat angles C4'-P-C4' energy: -149.708 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: 38.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3056.528933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.528933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.528933 (E_RNA) where: Base-Base interactions energy: -2067.152 where: short stacking energy: -951.276 Base-Backbone interact. energy: -1.619 local terms energy: -987.757723 where: bonds (distance) C4'-P energy: -181.237 bonds (distance) P-C4' energy: -172.906 flat angles C4'-P-C4' energy: -219.521 flat angles P-C4'-P energy: -148.219 tors. eta vs tors. theta energy: -265.875 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: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2968.120273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.120273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.120273 (E_RNA) where: Base-Base interactions energy: -2020.621 where: short stacking energy: -910.591 Base-Backbone interact. energy: 0.080 local terms energy: -947.579262 where: bonds (distance) C4'-P energy: -156.992 bonds (distance) P-C4' energy: -190.089 flat angles C4'-P-C4' energy: -191.999 flat angles P-C4'-P energy: -141.885 tors. eta vs tors. theta energy: -266.615 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: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2883.649512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.649512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.649512 (E_RNA) where: Base-Base interactions energy: -1967.885 where: short stacking energy: -894.194 Base-Backbone interact. energy: -3.752 local terms energy: -912.012799 where: bonds (distance) C4'-P energy: -166.168 bonds (distance) P-C4' energy: -163.263 flat angles C4'-P-C4' energy: -186.697 flat angles P-C4'-P energy: -136.083 tors. eta vs tors. theta energy: -259.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2684.080587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.080587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.080587 (E_RNA) where: Base-Base interactions energy: -1809.387 where: short stacking energy: -830.058 Base-Backbone interact. energy: -3.826 local terms energy: -870.867607 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -159.511 flat angles C4'-P-C4' energy: -186.136 flat angles P-C4'-P energy: -133.558 tors. eta vs tors. theta energy: -237.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2489.696977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.696977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.696977 (E_RNA) where: Base-Base interactions energy: -1686.447 where: short stacking energy: -725.762 Base-Backbone interact. energy: 6.026 local terms energy: -809.276605 where: bonds (distance) C4'-P energy: -156.262 bonds (distance) P-C4' energy: -169.339 flat angles C4'-P-C4' energy: -185.642 flat angles P-C4'-P energy: -111.320 tors. eta vs tors. theta energy: -186.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2326.930449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.930449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.930449 (E_RNA) where: Base-Base interactions energy: -1542.383 where: short stacking energy: -670.426 Base-Backbone interact. energy: 6.445 local terms energy: -790.992639 where: bonds (distance) C4'-P energy: -164.413 bonds (distance) P-C4' energy: -158.948 flat angles C4'-P-C4' energy: -174.730 flat angles P-C4'-P energy: -112.848 tors. eta vs tors. theta energy: -180.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1929.412655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.412655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.412655 (E_RNA) where: Base-Base interactions energy: -1245.172 where: short stacking energy: -582.337 Base-Backbone interact. energy: -2.696 local terms energy: -681.544245 where: bonds (distance) C4'-P energy: -149.863 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -152.790 flat angles P-C4'-P energy: -102.446 tors. eta vs tors. theta energy: -131.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1753.560649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.560649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.560649 (E_RNA) where: Base-Base interactions energy: -1126.325 where: short stacking energy: -507.100 Base-Backbone interact. energy: 3.545 local terms energy: -630.780892 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -149.665 flat angles C4'-P-C4' energy: -143.719 flat angles P-C4'-P energy: -97.467 tors. eta vs tors. theta energy: -103.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1117.948827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.948827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.948827 (E_RNA) where: Base-Base interactions energy: -575.287 where: short stacking energy: -303.463 Base-Backbone interact. energy: 0.929 local terms energy: -543.590146 where: bonds (distance) C4'-P energy: -151.430 bonds (distance) P-C4' energy: -145.146 flat angles C4'-P-C4' energy: -157.484 flat angles P-C4'-P energy: -65.222 tors. eta vs tors. theta energy: -24.307 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: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -849.727320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.727320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.727320 (E_RNA) where: Base-Base interactions energy: -378.955 where: short stacking energy: -261.917 Base-Backbone interact. energy: 7.474 local terms energy: -478.246230 where: bonds (distance) C4'-P energy: -137.132 bonds (distance) P-C4' energy: -158.902 flat angles C4'-P-C4' energy: -110.194 flat angles P-C4'-P energy: -61.947 tors. eta vs tors. theta energy: -10.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3052.902442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.902442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.902442 (E_RNA) where: Base-Base interactions energy: -2080.695 where: short stacking energy: -938.439 Base-Backbone interact. energy: -0.895 local terms energy: -971.312626 where: bonds (distance) C4'-P energy: -186.916 bonds (distance) P-C4' energy: -172.504 flat angles C4'-P-C4' energy: -206.641 flat angles P-C4'-P energy: -135.469 tors. eta vs tors. theta energy: -269.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2990.458745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.458745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.458745 (E_RNA) where: Base-Base interactions energy: -2031.943 where: short stacking energy: -902.329 Base-Backbone interact. energy: -1.399 local terms energy: -957.117452 where: bonds (distance) C4'-P energy: -173.151 bonds (distance) P-C4' energy: -174.396 flat angles C4'-P-C4' energy: -213.455 flat angles P-C4'-P energy: -142.985 tors. eta vs tors. theta energy: -253.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2827.687363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.687363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.687363 (E_RNA) where: Base-Base interactions energy: -1897.764 where: short stacking energy: -863.019 Base-Backbone interact. energy: -0.097 local terms energy: -929.825978 where: bonds (distance) C4'-P energy: -159.846 bonds (distance) P-C4' energy: -180.088 flat angles C4'-P-C4' energy: -188.356 flat angles P-C4'-P energy: -132.010 tors. eta vs tors. theta energy: -269.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2741.455025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.455025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.455025 (E_RNA) where: Base-Base interactions energy: -1875.290 where: short stacking energy: -822.208 Base-Backbone interact. energy: -1.471 local terms energy: -864.694545 where: bonds (distance) C4'-P energy: -153.920 bonds (distance) P-C4' energy: -184.071 flat angles C4'-P-C4' energy: -183.050 flat angles P-C4'-P energy: -120.811 tors. eta vs tors. theta energy: -222.843 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: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2466.507811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.507811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.507811 (E_RNA) where: Base-Base interactions energy: -1684.397 where: short stacking energy: -722.253 Base-Backbone interact. energy: -0.826 local terms energy: -781.284778 where: bonds (distance) C4'-P energy: -149.258 bonds (distance) P-C4' energy: -158.712 flat angles C4'-P-C4' energy: -170.110 flat angles P-C4'-P energy: -122.917 tors. eta vs tors. theta energy: -180.287 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: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2280.748138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.748138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.748138 (E_RNA) where: Base-Base interactions energy: -1501.588 where: short stacking energy: -667.303 Base-Backbone interact. energy: 0.613 local terms energy: -779.772917 where: bonds (distance) C4'-P energy: -143.960 bonds (distance) P-C4' energy: -180.931 flat angles C4'-P-C4' energy: -185.951 flat angles P-C4'-P energy: -103.206 tors. eta vs tors. theta energy: -165.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1992.606025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.606025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.606025 (E_RNA) where: Base-Base interactions energy: -1292.633 where: short stacking energy: -608.153 Base-Backbone interact. energy: -1.698 local terms energy: -698.274313 where: bonds (distance) C4'-P energy: -152.900 bonds (distance) P-C4' energy: -150.598 flat angles C4'-P-C4' energy: -157.760 flat angles P-C4'-P energy: -80.590 tors. eta vs tors. theta energy: -156.425 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: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1697.930915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.930915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.930915 (E_RNA) where: Base-Base interactions energy: -1077.968 where: short stacking energy: -493.567 Base-Backbone interact. energy: 3.640 local terms energy: -623.603708 where: bonds (distance) C4'-P energy: -144.312 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -146.509 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -94.008 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: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1130.698816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.698816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.698816 (E_RNA) where: Base-Base interactions energy: -578.206 where: short stacking energy: -309.611 Base-Backbone interact. energy: -0.495 local terms energy: -551.997736 where: bonds (distance) C4'-P energy: -143.512 bonds (distance) P-C4' energy: -165.089 flat angles C4'-P-C4' energy: -136.582 flat angles P-C4'-P energy: -91.211 tors. eta vs tors. theta energy: -15.604 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: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -813.822508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.822508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.822508 (E_RNA) where: Base-Base interactions energy: -334.775 where: short stacking energy: -223.258 Base-Backbone interact. energy: 3.075 local terms energy: -482.122855 where: bonds (distance) C4'-P energy: -130.133 bonds (distance) P-C4' energy: -153.213 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: 23.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3094.147934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.147934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.147934 (E_RNA) where: Base-Base interactions energy: -2077.790 where: short stacking energy: -933.465 Base-Backbone interact. energy: -1.615 local terms energy: -1014.743519 where: bonds (distance) C4'-P energy: -190.056 bonds (distance) P-C4' energy: -179.488 flat angles C4'-P-C4' energy: -220.456 flat angles P-C4'-P energy: -146.717 tors. eta vs tors. theta energy: -278.027 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: 2, replica: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2984.567008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.567008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.567008 (E_RNA) where: Base-Base interactions energy: -2019.701 where: short stacking energy: -916.904 Base-Backbone interact. energy: -4.709 local terms energy: -960.156826 where: bonds (distance) C4'-P energy: -180.527 bonds (distance) P-C4' energy: -183.091 flat angles C4'-P-C4' energy: -202.767 flat angles P-C4'-P energy: -131.467 tors. eta vs tors. theta energy: -262.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2793.710835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.710835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.710835 (E_RNA) where: Base-Base interactions energy: -1885.556 where: short stacking energy: -870.308 Base-Backbone interact. energy: -1.408 local terms energy: -906.746755 where: bonds (distance) C4'-P energy: -159.392 bonds (distance) P-C4' energy: -188.899 flat angles C4'-P-C4' energy: -189.286 flat angles P-C4'-P energy: -117.841 tors. eta vs tors. theta energy: -251.329 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: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2734.706795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.706795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.706795 (E_RNA) where: Base-Base interactions energy: -1871.653 where: short stacking energy: -831.193 Base-Backbone interact. energy: -3.026 local terms energy: -860.027380 where: bonds (distance) C4'-P energy: -159.624 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -179.590 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -227.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2490.195380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.195380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.195380 (E_RNA) where: Base-Base interactions energy: -1703.200 where: short stacking energy: -761.183 Base-Backbone interact. energy: -1.931 local terms energy: -785.063867 where: bonds (distance) C4'-P energy: -134.291 bonds (distance) P-C4' energy: -182.635 flat angles C4'-P-C4' energy: -162.012 flat angles P-C4'-P energy: -107.503 tors. eta vs tors. theta energy: -198.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2292.243625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.243625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.243625 (E_RNA) where: Base-Base interactions energy: -1504.753 where: short stacking energy: -661.974 Base-Backbone interact. energy: -0.244 local terms energy: -787.246835 where: bonds (distance) C4'-P energy: -157.554 bonds (distance) P-C4' energy: -171.386 flat angles C4'-P-C4' energy: -175.752 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -171.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1976.594461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.594461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.594461 (E_RNA) where: Base-Base interactions energy: -1283.044 where: short stacking energy: -577.681 Base-Backbone interact. energy: 0.518 local terms energy: -694.068597 where: bonds (distance) C4'-P energy: -151.017 bonds (distance) P-C4' energy: -156.537 flat angles C4'-P-C4' energy: -155.194 flat angles P-C4'-P energy: -100.553 tors. eta vs tors. theta energy: -130.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1736.630996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.630996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.630996 (E_RNA) where: Base-Base interactions energy: -1115.451 where: short stacking energy: -519.853 Base-Backbone interact. energy: 2.391 local terms energy: -623.570975 where: bonds (distance) C4'-P energy: -137.891 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -147.403 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: -94.153 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: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1148.952743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.952743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.952743 (E_RNA) where: Base-Base interactions energy: -657.042 where: short stacking energy: -329.146 Base-Backbone interact. energy: -5.252 local terms energy: -486.658407 where: bonds (distance) C4'-P energy: -129.404 bonds (distance) P-C4' energy: -154.720 flat angles C4'-P-C4' energy: -115.038 flat angles P-C4'-P energy: -67.026 tors. eta vs tors. theta energy: -20.471 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: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -767.237755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.237755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.237755 (E_RNA) where: Base-Base interactions energy: -353.171 where: short stacking energy: -252.147 Base-Backbone interact. energy: -1.604 local terms energy: -412.462951 where: bonds (distance) C4'-P energy: -127.582 bonds (distance) P-C4' energy: -115.283 flat angles C4'-P-C4' energy: -124.735 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: 17.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3067.194264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.194264 (E_RNA) where: Base-Base interactions energy: -2109.934 where: short stacking energy: -938.493 Base-Backbone interact. energy: -2.270 local terms energy: -954.989539 where: bonds (distance) C4'-P energy: -171.309 bonds (distance) P-C4' energy: -183.696 flat angles C4'-P-C4' energy: -199.249 flat angles P-C4'-P energy: -126.278 tors. eta vs tors. theta energy: -274.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2989.307636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.307636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.307636 (E_RNA) where: Base-Base interactions energy: -2061.332 where: short stacking energy: -915.159 Base-Backbone interact. energy: -2.820 local terms energy: -925.155401 where: bonds (distance) C4'-P energy: -158.948 bonds (distance) P-C4' energy: -177.917 flat angles C4'-P-C4' energy: -198.861 flat angles P-C4'-P energy: -132.016 tors. eta vs tors. theta energy: -257.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2807.692933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.692933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.692933 (E_RNA) where: Base-Base interactions energy: -1884.043 where: short stacking energy: -883.523 Base-Backbone interact. energy: -0.685 local terms energy: -922.965605 where: bonds (distance) C4'-P energy: -174.918 bonds (distance) P-C4' energy: -162.224 flat angles C4'-P-C4' energy: -196.222 flat angles P-C4'-P energy: -127.815 tors. eta vs tors. theta energy: -261.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2797.313608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.313608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.313608 (E_RNA) where: Base-Base interactions energy: -1916.243 where: short stacking energy: -861.915 Base-Backbone interact. energy: -3.496 local terms energy: -877.574292 where: bonds (distance) C4'-P energy: -173.234 bonds (distance) P-C4' energy: -153.213 flat angles C4'-P-C4' energy: -193.983 flat angles P-C4'-P energy: -117.550 tors. eta vs tors. theta energy: -239.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2509.340749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.340749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.340749 (E_RNA) where: Base-Base interactions energy: -1714.902 where: short stacking energy: -767.695 Base-Backbone interact. energy: -2.100 local terms energy: -792.338446 where: bonds (distance) C4'-P energy: -155.872 bonds (distance) P-C4' energy: -158.792 flat angles C4'-P-C4' energy: -170.117 flat angles P-C4'-P energy: -102.255 tors. eta vs tors. theta energy: -205.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2304.571316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.571316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.571316 (E_RNA) where: Base-Base interactions energy: -1534.144 where: short stacking energy: -663.357 Base-Backbone interact. energy: -1.938 local terms energy: -768.489750 where: bonds (distance) C4'-P energy: -162.441 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -164.457 flat angles P-C4'-P energy: -110.760 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: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1990.821610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.821610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.821610 (E_RNA) where: Base-Base interactions energy: -1291.772 where: short stacking energy: -614.001 Base-Backbone interact. energy: -0.369 local terms energy: -698.680801 where: bonds (distance) C4'-P energy: -155.176 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -169.721 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -140.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1685.231390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.231390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.231390 (E_RNA) where: Base-Base interactions energy: -1089.061 where: short stacking energy: -500.312 Base-Backbone interact. energy: 1.694 local terms energy: -597.864502 where: bonds (distance) C4'-P energy: -125.287 bonds (distance) P-C4' energy: -137.156 flat angles C4'-P-C4' energy: -154.583 flat angles P-C4'-P energy: -90.220 tors. eta vs tors. theta energy: -90.619 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: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1134.193213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.193213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.193213 (E_RNA) where: Base-Base interactions energy: -582.481 where: short stacking energy: -297.467 Base-Backbone interact. energy: 2.527 local terms energy: -554.238771 where: bonds (distance) C4'-P energy: -146.820 bonds (distance) P-C4' energy: -160.911 flat angles C4'-P-C4' energy: -125.287 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -727.116980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.116980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.116980 (E_RNA) where: Base-Base interactions energy: -313.175 where: short stacking energy: -219.760 Base-Backbone interact. energy: -0.967 local terms energy: -412.975082 where: bonds (distance) C4'-P energy: -112.374 bonds (distance) P-C4' energy: -140.595 flat angles C4'-P-C4' energy: -127.057 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: 40.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3056.970620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.970620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.970620 (E_RNA) where: Base-Base interactions energy: -2096.132 where: short stacking energy: -918.227 Base-Backbone interact. energy: 3.874 local terms energy: -964.712588 where: bonds (distance) C4'-P energy: -182.469 bonds (distance) P-C4' energy: -176.327 flat angles C4'-P-C4' energy: -205.303 flat angles P-C4'-P energy: -135.925 tors. eta vs tors. theta energy: -264.689 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: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2991.375997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.375997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.375997 (E_RNA) where: Base-Base interactions energy: -2047.125 where: short stacking energy: -914.497 Base-Backbone interact. energy: -4.146 local terms energy: -940.105149 where: bonds (distance) C4'-P energy: -165.095 bonds (distance) P-C4' energy: -174.934 flat angles C4'-P-C4' energy: -194.799 flat angles P-C4'-P energy: -134.911 tors. eta vs tors. theta energy: -270.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2818.622617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.622617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.622617 (E_RNA) where: Base-Base interactions energy: -1921.645 where: short stacking energy: -870.470 Base-Backbone interact. energy: -4.592 local terms energy: -892.385302 where: bonds (distance) C4'-P energy: -164.375 bonds (distance) P-C4' energy: -164.593 flat angles C4'-P-C4' energy: -192.050 flat angles P-C4'-P energy: -127.780 tors. eta vs tors. theta energy: -243.588 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: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2731.370917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.370917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.370917 (E_RNA) where: Base-Base interactions energy: -1842.436 where: short stacking energy: -826.927 Base-Backbone interact. energy: -3.706 local terms energy: -885.229319 where: bonds (distance) C4'-P energy: -168.072 bonds (distance) P-C4' energy: -174.623 flat angles C4'-P-C4' energy: -188.836 flat angles P-C4'-P energy: -115.912 tors. eta vs tors. theta energy: -237.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2555.126858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.126858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.126858 (E_RNA) where: Base-Base interactions energy: -1726.535 where: short stacking energy: -758.112 Base-Backbone interact. energy: 3.097 local terms energy: -831.688932 where: bonds (distance) C4'-P energy: -135.133 bonds (distance) P-C4' energy: -161.524 flat angles C4'-P-C4' energy: -195.120 flat angles P-C4'-P energy: -119.509 tors. eta vs tors. theta energy: -220.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2303.281213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.281213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.281213 (E_RNA) where: Base-Base interactions energy: -1547.184 where: short stacking energy: -695.998 Base-Backbone interact. energy: 6.669 local terms energy: -762.766121 where: bonds (distance) C4'-P energy: -149.186 bonds (distance) P-C4' energy: -155.430 flat angles C4'-P-C4' energy: -167.670 flat angles P-C4'-P energy: -114.621 tors. eta vs tors. theta energy: -175.858 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2030.982108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.982108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.982108 (E_RNA) where: Base-Base interactions energy: -1332.291 where: short stacking energy: -625.412 Base-Backbone interact. energy: -2.286 local terms energy: -696.405209 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -143.720 flat angles C4'-P-C4' energy: -178.189 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -144.998 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: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1706.646192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.646192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.646192 (E_RNA) where: Base-Base interactions energy: -1073.312 where: short stacking energy: -464.662 Base-Backbone interact. energy: 3.220 local terms energy: -636.553927 where: bonds (distance) C4'-P energy: -146.646 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -153.262 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -98.134 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: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1059.202329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.202329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.202329 (E_RNA) where: Base-Base interactions energy: -558.291 where: short stacking energy: -325.434 Base-Backbone interact. energy: 5.921 local terms energy: -506.832130 where: bonds (distance) C4'-P energy: -144.377 bonds (distance) P-C4' energy: -127.371 flat angles C4'-P-C4' energy: -150.524 flat angles P-C4'-P energy: -77.220 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -824.209856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.209856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.209856 (E_RNA) where: Base-Base interactions energy: -342.766 where: short stacking energy: -243.489 Base-Backbone interact. energy: -1.096 local terms energy: -480.348274 where: bonds (distance) C4'-P energy: -163.524 bonds (distance) P-C4' energy: -131.037 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -64.254 tors. eta vs tors. theta energy: 21.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3072.043575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.043575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.043575 (E_RNA) where: Base-Base interactions energy: -2087.049 where: short stacking energy: -953.816 Base-Backbone interact. energy: -3.809 local terms energy: -981.185860 where: bonds (distance) C4'-P energy: -185.675 bonds (distance) P-C4' energy: -174.403 flat angles C4'-P-C4' energy: -203.290 flat angles P-C4'-P energy: -134.113 tors. eta vs tors. theta energy: -283.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2938.691072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.691072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.691072 (E_RNA) where: Base-Base interactions energy: -2008.665 where: short stacking energy: -900.353 Base-Backbone interact. energy: 1.110 local terms energy: -931.135995 where: bonds (distance) C4'-P energy: -166.298 bonds (distance) P-C4' energy: -182.080 flat angles C4'-P-C4' energy: -193.406 flat angles P-C4'-P energy: -134.534 tors. eta vs tors. theta energy: -254.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2825.466553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.466553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.466553 (E_RNA) where: Base-Base interactions energy: -1920.524 where: short stacking energy: -885.944 Base-Backbone interact. energy: -2.616 local terms energy: -902.327498 where: bonds (distance) C4'-P energy: -154.606 bonds (distance) P-C4' energy: -157.631 flat angles C4'-P-C4' energy: -202.050 flat angles P-C4'-P energy: -139.656 tors. eta vs tors. theta energy: -248.384 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: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2681.690259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.690259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.690259 (E_RNA) where: Base-Base interactions energy: -1809.839 where: short stacking energy: -825.430 Base-Backbone interact. energy: -1.148 local terms energy: -870.703226 where: bonds (distance) C4'-P energy: -156.117 bonds (distance) P-C4' energy: -177.159 flat angles C4'-P-C4' energy: -168.884 flat angles P-C4'-P energy: -133.682 tors. eta vs tors. theta energy: -234.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2539.154381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.154381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.154381 (E_RNA) where: Base-Base interactions energy: -1696.760 where: short stacking energy: -764.258 Base-Backbone interact. energy: -3.883 local terms energy: -838.511092 where: bonds (distance) C4'-P energy: -171.440 bonds (distance) P-C4' energy: -172.445 flat angles C4'-P-C4' energy: -189.162 flat angles P-C4'-P energy: -107.373 tors. eta vs tors. theta energy: -198.091 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: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2285.130556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.130556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.130556 (E_RNA) where: Base-Base interactions energy: -1536.357 where: short stacking energy: -709.200 Base-Backbone interact. energy: 3.135 local terms energy: -751.907951 where: bonds (distance) C4'-P energy: -143.699 bonds (distance) P-C4' energy: -141.131 flat angles C4'-P-C4' energy: -181.351 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -181.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2021.498933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.498933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.498933 (E_RNA) where: Base-Base interactions energy: -1305.554 where: short stacking energy: -600.162 Base-Backbone interact. energy: -1.569 local terms energy: -714.376132 where: bonds (distance) C4'-P energy: -156.017 bonds (distance) P-C4' energy: -151.605 flat angles C4'-P-C4' energy: -173.320 flat angles P-C4'-P energy: -109.335 tors. eta vs tors. theta energy: -124.099 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: 356 Temperature: 1.250000 Total energy: -1692.690279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.690279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.690279 (E_RNA) where: Base-Base interactions energy: -1113.263 where: short stacking energy: -521.156 Base-Backbone interact. energy: -0.503 local terms energy: -578.924462 where: bonds (distance) C4'-P energy: -136.159 bonds (distance) P-C4' energy: -140.102 flat angles C4'-P-C4' energy: -142.383 flat angles P-C4'-P energy: -64.847 tors. eta vs tors. theta energy: -95.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1222.244069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.244069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.244069 (E_RNA) where: Base-Base interactions energy: -678.970 where: short stacking energy: -360.301 Base-Backbone interact. energy: 2.892 local terms energy: -546.166514 where: bonds (distance) C4'-P energy: -133.621 bonds (distance) P-C4' energy: -153.846 flat angles C4'-P-C4' energy: -134.100 flat angles P-C4'-P energy: -90.699 tors. eta vs tors. theta energy: -33.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -724.992461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.992461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.992461 (E_RNA) where: Base-Base interactions energy: -315.765 where: short stacking energy: -188.191 Base-Backbone interact. energy: -2.929 local terms energy: -406.298329 where: bonds (distance) C4'-P energy: -155.181 bonds (distance) P-C4' energy: -115.388 flat angles C4'-P-C4' energy: -119.844 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: 38.723 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: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3120.851658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.851658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.851658 (E_RNA) where: Base-Base interactions energy: -2146.019 where: short stacking energy: -965.022 Base-Backbone interact. energy: 0.712 local terms energy: -975.544686 where: bonds (distance) C4'-P energy: -176.882 bonds (distance) P-C4' energy: -177.189 flat angles C4'-P-C4' energy: -205.990 flat angles P-C4'-P energy: -139.049 tors. eta vs tors. theta energy: -276.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2979.027423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.027423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.027423 (E_RNA) where: Base-Base interactions energy: -2036.567 where: short stacking energy: -933.547 Base-Backbone interact. energy: -2.615 local terms energy: -939.845520 where: bonds (distance) C4'-P energy: -169.653 bonds (distance) P-C4' energy: -173.139 flat angles C4'-P-C4' energy: -184.706 flat angles P-C4'-P energy: -144.819 tors. eta vs tors. theta energy: -267.529 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: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2808.090440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.090440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.090440 (E_RNA) where: Base-Base interactions energy: -1903.408 where: short stacking energy: -866.252 Base-Backbone interact. energy: -2.002 local terms energy: -902.680015 where: bonds (distance) C4'-P energy: -166.721 bonds (distance) P-C4' energy: -177.273 flat angles C4'-P-C4' energy: -192.670 flat angles P-C4'-P energy: -122.485 tors. eta vs tors. theta energy: -243.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2610.369473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.369473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.369473 (E_RNA) where: Base-Base interactions energy: -1739.007 where: short stacking energy: -815.348 Base-Backbone interact. energy: 0.576 local terms energy: -871.938620 where: bonds (distance) C4'-P energy: -180.364 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -192.865 flat angles P-C4'-P energy: -130.543 tors. eta vs tors. theta energy: -214.773 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: 357 Temperature: 1.100000 Total energy: -2603.460529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.460529 (E_RNA) where: Base-Base interactions energy: -1790.546 where: short stacking energy: -812.032 Base-Backbone interact. energy: 1.835 local terms energy: -814.749406 where: bonds (distance) C4'-P energy: -150.603 bonds (distance) P-C4' energy: -140.244 flat angles C4'-P-C4' energy: -185.516 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -229.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2275.477014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.477014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.477014 (E_RNA) where: Base-Base interactions energy: -1538.095 where: short stacking energy: -664.927 Base-Backbone interact. energy: -1.312 local terms energy: -736.070737 where: bonds (distance) C4'-P energy: -142.305 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -152.714 flat angles P-C4'-P energy: -125.095 tors. eta vs tors. theta energy: -178.853 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: 357 Temperature: 1.200000 Total energy: -2053.489551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.489551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.489551 (E_RNA) where: Base-Base interactions energy: -1325.440 where: short stacking energy: -606.015 Base-Backbone interact. energy: 0.843 local terms energy: -728.892431 where: bonds (distance) C4'-P energy: -165.430 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -167.752 flat angles P-C4'-P energy: -100.032 tors. eta vs tors. theta energy: -149.155 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: 357 Temperature: 1.250000 Total energy: -1720.583959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.583959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.583959 (E_RNA) where: Base-Base interactions energy: -1013.049 where: short stacking energy: -493.511 Base-Backbone interact. energy: -4.315 local terms energy: -703.219619 where: bonds (distance) C4'-P energy: -144.192 bonds (distance) P-C4' energy: -173.840 flat angles C4'-P-C4' energy: -159.211 flat angles P-C4'-P energy: -120.396 tors. eta vs tors. theta energy: -105.580 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: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1190.551903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.551903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.551903 (E_RNA) where: Base-Base interactions energy: -660.716 where: short stacking energy: -328.623 Base-Backbone interact. energy: 0.819 local terms energy: -530.654590 where: bonds (distance) C4'-P energy: -150.947 bonds (distance) P-C4' energy: -141.070 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -24.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -743.929865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.929865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.929865 (E_RNA) where: Base-Base interactions energy: -292.022 where: short stacking energy: -225.474 Base-Backbone interact. energy: 0.818 local terms energy: -452.725913 where: bonds (distance) C4'-P energy: -148.633 bonds (distance) P-C4' energy: -142.089 flat angles C4'-P-C4' energy: -103.623 flat angles P-C4'-P energy: -64.729 tors. eta vs tors. theta energy: 6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3097.921292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.921292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.921292 (E_RNA) where: Base-Base interactions energy: -2123.851 where: short stacking energy: -946.520 Base-Backbone interact. energy: -1.170 local terms energy: -972.900000 where: bonds (distance) C4'-P energy: -167.283 bonds (distance) P-C4' energy: -176.570 flat angles C4'-P-C4' energy: -213.873 flat angles P-C4'-P energy: -143.884 tors. eta vs tors. theta energy: -271.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2951.872867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.872867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.872867 (E_RNA) where: Base-Base interactions energy: -2025.357 where: short stacking energy: -881.615 Base-Backbone interact. energy: -1.662 local terms energy: -924.853654 where: bonds (distance) C4'-P energy: -178.881 bonds (distance) P-C4' energy: -160.015 flat angles C4'-P-C4' energy: -195.044 flat angles P-C4'-P energy: -137.608 tors. eta vs tors. theta energy: -253.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2846.440070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.440070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.440070 (E_RNA) where: Base-Base interactions energy: -1929.916 where: short stacking energy: -869.986 Base-Backbone interact. energy: 0.983 local terms energy: -917.507463 where: bonds (distance) C4'-P energy: -172.216 bonds (distance) P-C4' energy: -171.456 flat angles C4'-P-C4' energy: -196.882 flat angles P-C4'-P energy: -120.283 tors. eta vs tors. theta energy: -256.670 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: 358 Temperature: 1.050000 Total energy: -2646.351602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.351602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.351602 (E_RNA) where: Base-Base interactions energy: -1805.311 where: short stacking energy: -830.839 Base-Backbone interact. energy: -1.110 local terms energy: -839.931126 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -167.789 flat angles C4'-P-C4' energy: -187.908 flat angles P-C4'-P energy: -117.975 tors. eta vs tors. theta energy: -219.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2571.766370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.766370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.766370 (E_RNA) where: Base-Base interactions energy: -1717.938 where: short stacking energy: -770.426 Base-Backbone interact. energy: 0.169 local terms energy: -853.996477 where: bonds (distance) C4'-P energy: -164.665 bonds (distance) P-C4' energy: -155.661 flat angles C4'-P-C4' energy: -179.763 flat angles P-C4'-P energy: -142.075 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: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2304.524407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.524407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.524407 (E_RNA) where: Base-Base interactions energy: -1536.902 where: short stacking energy: -695.338 Base-Backbone interact. energy: 2.718 local terms energy: -770.340686 where: bonds (distance) C4'-P energy: -158.576 bonds (distance) P-C4' energy: -155.675 flat angles C4'-P-C4' energy: -171.491 flat angles P-C4'-P energy: -112.276 tors. eta vs tors. theta energy: -172.323 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: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2049.990248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.990248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.990248 (E_RNA) where: Base-Base interactions energy: -1346.510 where: short stacking energy: -617.610 Base-Backbone interact. energy: 1.945 local terms energy: -705.425129 where: bonds (distance) C4'-P energy: -158.219 bonds (distance) P-C4' energy: -176.154 flat angles C4'-P-C4' energy: -150.320 flat angles P-C4'-P energy: -82.873 tors. eta vs tors. theta energy: -137.860 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: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1725.555261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.555261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.555261 (E_RNA) where: Base-Base interactions energy: -1114.828 where: short stacking energy: -500.857 Base-Backbone interact. energy: 2.255 local terms energy: -612.981912 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -155.038 flat angles C4'-P-C4' energy: -145.135 flat angles P-C4'-P energy: -85.952 tors. eta vs tors. theta energy: -93.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1174.156482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.156482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.156482 (E_RNA) where: Base-Base interactions energy: -643.735 where: short stacking energy: -324.881 Base-Backbone interact. energy: 3.085 local terms energy: -533.506780 where: bonds (distance) C4'-P energy: -135.417 bonds (distance) P-C4' energy: -137.573 flat angles C4'-P-C4' energy: -164.448 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -731.455023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.455023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.455023 (E_RNA) where: Base-Base interactions energy: -308.820 where: short stacking energy: -218.720 Base-Backbone interact. energy: 5.539 local terms energy: -428.174538 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -143.332 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -68.691 tors. eta vs tors. theta energy: 36.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3112.855263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.855263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.855263 (E_RNA) where: Base-Base interactions energy: -2122.078 where: short stacking energy: -941.548 Base-Backbone interact. energy: -3.576 local terms energy: -987.201234 where: bonds (distance) C4'-P energy: -171.908 bonds (distance) P-C4' energy: -195.461 flat angles C4'-P-C4' energy: -208.200 flat angles P-C4'-P energy: -136.314 tors. eta vs tors. theta energy: -275.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2927.789081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.789081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.789081 (E_RNA) where: Base-Base interactions energy: -2032.499 where: short stacking energy: -885.851 Base-Backbone interact. energy: 0.102 local terms energy: -895.392200 where: bonds (distance) C4'-P energy: -152.448 bonds (distance) P-C4' energy: -175.471 flat angles C4'-P-C4' energy: -204.074 flat angles P-C4'-P energy: -126.096 tors. eta vs tors. theta energy: -237.304 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: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2823.031828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.031828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.031828 (E_RNA) where: Base-Base interactions energy: -1919.373 where: short stacking energy: -866.178 Base-Backbone interact. energy: -0.122 local terms energy: -903.536703 where: bonds (distance) C4'-P energy: -169.743 bonds (distance) P-C4' energy: -168.774 flat angles C4'-P-C4' energy: -185.599 flat angles P-C4'-P energy: -123.637 tors. eta vs tors. theta energy: -255.784 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: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2644.998774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.998774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.998774 (E_RNA) where: Base-Base interactions energy: -1807.386 where: short stacking energy: -800.105 Base-Backbone interact. energy: 2.075 local terms energy: -839.687836 where: bonds (distance) C4'-P energy: -143.903 bonds (distance) P-C4' energy: -170.519 flat angles C4'-P-C4' energy: -186.706 flat angles P-C4'-P energy: -141.143 tors. eta vs tors. theta energy: -197.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2523.625443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.625443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.625443 (E_RNA) where: Base-Base interactions energy: -1717.776 where: short stacking energy: -756.651 Base-Backbone interact. energy: 1.284 local terms energy: -807.133902 where: bonds (distance) C4'-P energy: -167.197 bonds (distance) P-C4' energy: -152.107 flat angles C4'-P-C4' energy: -165.076 flat angles P-C4'-P energy: -111.550 tors. eta vs tors. theta energy: -211.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2216.349211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.349211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.349211 (E_RNA) where: Base-Base interactions energy: -1494.116 where: short stacking energy: -649.293 Base-Backbone interact. energy: 7.273 local terms energy: -729.505788 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -155.468 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -153.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2059.326245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.326245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.326245 (E_RNA) where: Base-Base interactions energy: -1356.160 where: short stacking energy: -605.038 Base-Backbone interact. energy: 7.005 local terms energy: -710.171303 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -142.534 flat angles C4'-P-C4' energy: -155.356 flat angles P-C4'-P energy: -114.622 tors. eta vs tors. theta energy: -161.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1724.661217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.661217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.661217 (E_RNA) where: Base-Base interactions energy: -1095.794 where: short stacking energy: -493.407 Base-Backbone interact. energy: 0.769 local terms energy: -629.636438 where: bonds (distance) C4'-P energy: -123.381 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -162.709 flat angles P-C4'-P energy: -103.956 tors. eta vs tors. theta energy: -90.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1333.349440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.349440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.349440 (E_RNA) where: Base-Base interactions energy: -783.283 where: short stacking energy: -387.845 Base-Backbone interact. energy: 2.805 local terms energy: -552.871834 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -121.660 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -59.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -737.495690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.495690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.495690 (E_RNA) where: Base-Base interactions energy: -294.291 where: short stacking energy: -221.791 Base-Backbone interact. energy: 2.142 local terms energy: -445.346915 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -166.536 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: 38.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3088.481930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.481930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.481930 (E_RNA) where: Base-Base interactions energy: -2139.329 where: short stacking energy: -950.339 Base-Backbone interact. energy: -3.526 local terms energy: -945.626979 where: bonds (distance) C4'-P energy: -167.658 bonds (distance) P-C4' energy: -166.500 flat angles C4'-P-C4' energy: -204.199 flat angles P-C4'-P energy: -139.600 tors. eta vs tors. theta energy: -267.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2963.412120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.412120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.412120 (E_RNA) where: Base-Base interactions energy: -2025.607 where: short stacking energy: -874.877 Base-Backbone interact. energy: -0.913 local terms energy: -936.892020 where: bonds (distance) C4'-P energy: -169.553 bonds (distance) P-C4' energy: -187.040 flat angles C4'-P-C4' energy: -199.957 flat angles P-C4'-P energy: -141.569 tors. eta vs tors. theta energy: -238.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2839.218878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.218878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.218878 (E_RNA) where: Base-Base interactions energy: -1960.504 where: short stacking energy: -889.138 Base-Backbone interact. energy: -2.322 local terms energy: -876.393240 where: bonds (distance) C4'-P energy: -154.843 bonds (distance) P-C4' energy: -162.472 flat angles C4'-P-C4' energy: -197.369 flat angles P-C4'-P energy: -112.123 tors. eta vs tors. theta energy: -249.586 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: 360 Temperature: 1.050000 Total energy: -2652.412161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.412161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.412161 (E_RNA) where: Base-Base interactions energy: -1821.102 where: short stacking energy: -801.814 Base-Backbone interact. energy: -3.351 local terms energy: -827.958986 where: bonds (distance) C4'-P energy: -158.573 bonds (distance) P-C4' energy: -173.842 flat angles C4'-P-C4' energy: -190.509 flat angles P-C4'-P energy: -110.548 tors. eta vs tors. theta energy: -194.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2581.459346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.459346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.459346 (E_RNA) where: Base-Base interactions energy: -1741.479 where: short stacking energy: -768.958 Base-Backbone interact. energy: -4.912 local terms energy: -835.068462 where: bonds (distance) C4'-P energy: -148.755 bonds (distance) P-C4' energy: -165.789 flat angles C4'-P-C4' energy: -173.071 flat angles P-C4'-P energy: -135.663 tors. eta vs tors. theta energy: -211.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2282.238027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.238027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.238027 (E_RNA) where: Base-Base interactions energy: -1515.315 where: short stacking energy: -669.152 Base-Backbone interact. energy: -3.344 local terms energy: -763.578479 where: bonds (distance) C4'-P energy: -163.111 bonds (distance) P-C4' energy: -155.358 flat angles C4'-P-C4' energy: -165.655 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -178.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2112.132090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.132090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.132090 (E_RNA) where: Base-Base interactions energy: -1373.185 where: short stacking energy: -633.942 Base-Backbone interact. energy: -2.676 local terms energy: -736.270731 where: bonds (distance) C4'-P energy: -165.756 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -157.407 flat angles P-C4'-P energy: -109.508 tors. eta vs tors. theta energy: -155.746 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: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1756.127063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.127063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.127063 (E_RNA) where: Base-Base interactions energy: -1138.728 where: short stacking energy: -510.455 Base-Backbone interact. energy: -0.245 local terms energy: -617.154284 where: bonds (distance) C4'-P energy: -140.674 bonds (distance) P-C4' energy: -145.543 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -92.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1254.483288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.483288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.483288 (E_RNA) where: Base-Base interactions energy: -726.566 where: short stacking energy: -351.348 Base-Backbone interact. energy: 0.469 local terms energy: -528.385997 where: bonds (distance) C4'-P energy: -140.487 bonds (distance) P-C4' energy: -152.456 flat angles C4'-P-C4' energy: -139.044 flat angles P-C4'-P energy: -88.613 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -784.432346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.432346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.432346 (E_RNA) where: Base-Base interactions energy: -349.353 where: short stacking energy: -210.764 Base-Backbone interact. energy: 1.046 local terms energy: -436.125485 where: bonds (distance) C4'-P energy: -130.228 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -62.759 tors. eta vs tors. theta energy: 16.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3089.769131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.769131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.769131 (E_RNA) where: Base-Base interactions energy: -2117.103 where: short stacking energy: -945.855 Base-Backbone interact. energy: -3.620 local terms energy: -969.046634 where: bonds (distance) C4'-P energy: -173.187 bonds (distance) P-C4' energy: -179.418 flat angles C4'-P-C4' energy: -203.203 flat angles P-C4'-P energy: -144.595 tors. eta vs tors. theta energy: -268.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2962.971218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.971218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.971218 (E_RNA) where: Base-Base interactions energy: -2064.599 where: short stacking energy: -910.487 Base-Backbone interact. energy: 0.404 local terms energy: -898.776481 where: bonds (distance) C4'-P energy: -172.152 bonds (distance) P-C4' energy: -150.811 flat angles C4'-P-C4' energy: -200.494 flat angles P-C4'-P energy: -120.644 tors. eta vs tors. theta energy: -254.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2868.639372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.639372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.639372 (E_RNA) where: Base-Base interactions energy: -1914.079 where: short stacking energy: -867.275 Base-Backbone interact. energy: -3.659 local terms energy: -950.901478 where: bonds (distance) C4'-P energy: -181.402 bonds (distance) P-C4' energy: -168.652 flat angles C4'-P-C4' energy: -212.482 flat angles P-C4'-P energy: -135.531 tors. eta vs tors. theta energy: -252.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2636.535881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.535881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.535881 (E_RNA) where: Base-Base interactions energy: -1800.591 where: short stacking energy: -824.647 Base-Backbone interact. energy: -0.571 local terms energy: -835.374525 where: bonds (distance) C4'-P energy: -161.763 bonds (distance) P-C4' energy: -165.934 flat angles C4'-P-C4' energy: -185.491 flat angles P-C4'-P energy: -106.978 tors. eta vs tors. theta energy: -215.209 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: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2590.149724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.149724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.149724 (E_RNA) where: Base-Base interactions energy: -1752.408 where: short stacking energy: -773.038 Base-Backbone interact. energy: 1.256 local terms energy: -838.998197 where: bonds (distance) C4'-P energy: -164.311 bonds (distance) P-C4' energy: -173.510 flat angles C4'-P-C4' energy: -178.333 flat angles P-C4'-P energy: -125.939 tors. eta vs tors. theta energy: -196.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2268.738620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.738620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.738620 (E_RNA) where: Base-Base interactions energy: -1514.645 where: short stacking energy: -688.577 Base-Backbone interact. energy: 1.379 local terms energy: -755.472766 where: bonds (distance) C4'-P energy: -135.567 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -174.719 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -182.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2087.204604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.204604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.204604 (E_RNA) where: Base-Base interactions energy: -1343.811 where: short stacking energy: -623.858 Base-Backbone interact. energy: -2.031 local terms energy: -741.362973 where: bonds (distance) C4'-P energy: -159.560 bonds (distance) P-C4' energy: -150.306 flat angles C4'-P-C4' energy: -177.511 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -155.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1748.266040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.266040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.266040 (E_RNA) where: Base-Base interactions energy: -1127.575 where: short stacking energy: -501.140 Base-Backbone interact. energy: 3.280 local terms energy: -623.970821 where: bonds (distance) C4'-P energy: -121.461 bonds (distance) P-C4' energy: -162.746 flat angles C4'-P-C4' energy: -140.077 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -106.701 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: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1318.614297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.614297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.614297 (E_RNA) where: Base-Base interactions energy: -741.134 where: short stacking energy: -394.495 Base-Backbone interact. energy: 1.651 local terms energy: -579.131229 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -135.633 flat angles P-C4'-P energy: -90.954 tors. eta vs tors. theta energy: -50.365 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: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -797.506608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.506608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.506608 (E_RNA) where: Base-Base interactions energy: -334.624 where: short stacking energy: -219.972 Base-Backbone interact. energy: 1.711 local terms energy: -464.593173 where: bonds (distance) C4'-P energy: -141.063 bonds (distance) P-C4' energy: -165.675 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -64.395 tors. eta vs tors. theta energy: 10.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3086.267189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.267189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.267189 (E_RNA) where: Base-Base interactions energy: -2120.973 where: short stacking energy: -942.367 Base-Backbone interact. energy: -3.569 local terms energy: -961.725575 where: bonds (distance) C4'-P energy: -185.756 bonds (distance) P-C4' energy: -185.920 flat angles C4'-P-C4' energy: -205.169 flat angles P-C4'-P energy: -119.831 tors. eta vs tors. theta energy: -265.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2960.316819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.316819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.316819 (E_RNA) where: Base-Base interactions energy: -2020.793 where: short stacking energy: -887.689 Base-Backbone interact. energy: 1.874 local terms energy: -941.397768 where: bonds (distance) C4'-P energy: -177.568 bonds (distance) P-C4' energy: -177.933 flat angles C4'-P-C4' energy: -197.628 flat angles P-C4'-P energy: -142.518 tors. eta vs tors. theta energy: -245.750 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: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2830.479725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.479725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.479725 (E_RNA) where: Base-Base interactions energy: -1965.577 where: short stacking energy: -869.180 Base-Backbone interact. energy: -1.956 local terms energy: -862.946385 where: bonds (distance) C4'-P energy: -144.319 bonds (distance) P-C4' energy: -150.817 flat angles C4'-P-C4' energy: -193.858 flat angles P-C4'-P energy: -135.588 tors. eta vs tors. theta energy: -238.364 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: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2630.445742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.445742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.445742 (E_RNA) where: Base-Base interactions energy: -1768.456 where: short stacking energy: -790.081 Base-Backbone interact. energy: 2.139 local terms energy: -864.128734 where: bonds (distance) C4'-P energy: -168.147 bonds (distance) P-C4' energy: -171.220 flat angles C4'-P-C4' energy: -194.469 flat angles P-C4'-P energy: -119.966 tors. eta vs tors. theta energy: -210.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2527.029914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.029914 (E_RNA) where: Base-Base interactions energy: -1725.439 where: short stacking energy: -786.733 Base-Backbone interact. energy: -0.551 local terms energy: -801.039307 where: bonds (distance) C4'-P energy: -152.920 bonds (distance) P-C4' energy: -160.636 flat angles C4'-P-C4' energy: -172.900 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -208.700 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: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2248.631859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.631859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.631859 (E_RNA) where: Base-Base interactions energy: -1542.469 where: short stacking energy: -633.705 Base-Backbone interact. energy: 3.384 local terms energy: -709.546987 where: bonds (distance) C4'-P energy: -162.976 bonds (distance) P-C4' energy: -144.100 flat angles C4'-P-C4' energy: -153.954 flat angles P-C4'-P energy: -90.567 tors. eta vs tors. theta energy: -157.949 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2083.870499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.870499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.870499 (E_RNA) where: Base-Base interactions energy: -1347.607 where: short stacking energy: -635.382 Base-Backbone interact. energy: 2.236 local terms energy: -738.499605 where: bonds (distance) C4'-P energy: -149.101 bonds (distance) P-C4' energy: -157.719 flat angles C4'-P-C4' energy: -157.949 flat angles P-C4'-P energy: -105.728 tors. eta vs tors. theta energy: -168.002 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1728.559236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.559236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.559236 (E_RNA) where: Base-Base interactions energy: -1122.774 where: short stacking energy: -514.561 Base-Backbone interact. energy: 6.856 local terms energy: -612.641207 where: bonds (distance) C4'-P energy: -146.901 bonds (distance) P-C4' energy: -136.649 flat angles C4'-P-C4' energy: -136.048 flat angles P-C4'-P energy: -77.537 tors. eta vs tors. theta energy: -115.506 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: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1289.736823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.736823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.736823 (E_RNA) where: Base-Base interactions energy: -764.056 where: short stacking energy: -391.262 Base-Backbone interact. energy: 2.236 local terms energy: -527.917214 where: bonds (distance) C4'-P energy: -140.733 bonds (distance) P-C4' energy: -140.538 flat angles C4'-P-C4' energy: -133.182 flat angles P-C4'-P energy: -84.030 tors. eta vs tors. theta energy: -29.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -768.578381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.578381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.578381 (E_RNA) where: Base-Base interactions energy: -325.493 where: short stacking energy: -229.988 Base-Backbone interact. energy: 12.272 local terms energy: -455.357580 where: bonds (distance) C4'-P energy: -135.681 bonds (distance) P-C4' energy: -131.804 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: 16.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3047.730587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.730587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.730587 (E_RNA) where: Base-Base interactions energy: -2071.264 where: short stacking energy: -930.156 Base-Backbone interact. energy: -1.489 local terms energy: -974.977754 where: bonds (distance) C4'-P energy: -188.117 bonds (distance) P-C4' energy: -167.878 flat angles C4'-P-C4' energy: -213.587 flat angles P-C4'-P energy: -133.722 tors. eta vs tors. theta energy: -271.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2982.991403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.991403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.991403 (E_RNA) where: Base-Base interactions energy: -2053.860 where: short stacking energy: -907.732 Base-Backbone interact. energy: -1.784 local terms energy: -927.348148 where: bonds (distance) C4'-P energy: -169.490 bonds (distance) P-C4' energy: -176.700 flat angles C4'-P-C4' energy: -186.532 flat angles P-C4'-P energy: -144.082 tors. eta vs tors. theta energy: -250.543 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2818.780555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.780555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.780555 (E_RNA) where: Base-Base interactions energy: -1916.496 where: short stacking energy: -867.162 Base-Backbone interact. energy: -2.258 local terms energy: -900.026900 where: bonds (distance) C4'-P energy: -158.036 bonds (distance) P-C4' energy: -172.320 flat angles C4'-P-C4' energy: -185.809 flat angles P-C4'-P energy: -134.868 tors. eta vs tors. theta energy: -248.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2693.218697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.218697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.218697 (E_RNA) where: Base-Base interactions energy: -1834.698 where: short stacking energy: -824.483 Base-Backbone interact. energy: -3.145 local terms energy: -855.376337 where: bonds (distance) C4'-P energy: -138.427 bonds (distance) P-C4' energy: -181.684 flat angles C4'-P-C4' energy: -197.297 flat angles P-C4'-P energy: -119.571 tors. eta vs tors. theta energy: -218.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2555.910853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.910853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.910853 (E_RNA) where: Base-Base interactions energy: -1692.801 where: short stacking energy: -757.565 Base-Backbone interact. energy: -2.621 local terms energy: -860.488781 where: bonds (distance) C4'-P energy: -149.741 bonds (distance) P-C4' energy: -184.414 flat angles C4'-P-C4' energy: -188.007 flat angles P-C4'-P energy: -127.630 tors. eta vs tors. theta energy: -210.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2243.946509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.946509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.946509 (E_RNA) where: Base-Base interactions energy: -1526.162 where: short stacking energy: -662.017 Base-Backbone interact. energy: -1.341 local terms energy: -716.443219 where: bonds (distance) C4'-P energy: -154.000 bonds (distance) P-C4' energy: -153.166 flat angles C4'-P-C4' energy: -160.630 flat angles P-C4'-P energy: -92.750 tors. eta vs tors. theta energy: -155.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2001.227974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.227974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.227974 (E_RNA) where: Base-Base interactions energy: -1293.211 where: short stacking energy: -594.395 Base-Backbone interact. energy: -1.846 local terms energy: -706.171005 where: bonds (distance) C4'-P energy: -138.225 bonds (distance) P-C4' energy: -152.964 flat angles C4'-P-C4' energy: -167.675 flat angles P-C4'-P energy: -108.117 tors. eta vs tors. theta energy: -139.190 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: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1697.115706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.115706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.115706 (E_RNA) where: Base-Base interactions energy: -1075.524 where: short stacking energy: -483.679 Base-Backbone interact. energy: 3.488 local terms energy: -625.080283 where: bonds (distance) C4'-P energy: -156.130 bonds (distance) P-C4' energy: -139.357 flat angles C4'-P-C4' energy: -145.689 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -92.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1281.489742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.489742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.489742 (E_RNA) where: Base-Base interactions energy: -747.609 where: short stacking energy: -360.868 Base-Backbone interact. energy: 11.934 local terms energy: -545.814801 where: bonds (distance) C4'-P energy: -140.806 bonds (distance) P-C4' energy: -163.448 flat angles C4'-P-C4' energy: -139.443 flat angles P-C4'-P energy: -70.107 tors. eta vs tors. theta energy: -32.011 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: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -816.368152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.368152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.368152 (E_RNA) where: Base-Base interactions energy: -335.308 where: short stacking energy: -208.402 Base-Backbone interact. energy: 4.790 local terms energy: -485.849808 where: bonds (distance) C4'-P energy: -140.952 bonds (distance) P-C4' energy: -154.044 flat angles C4'-P-C4' energy: -117.288 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: 16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3035.663597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.663597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.663597 (E_RNA) where: Base-Base interactions energy: -2087.967 where: short stacking energy: -920.391 Base-Backbone interact. energy: -3.097 local terms energy: -944.599727 where: bonds (distance) C4'-P energy: -158.132 bonds (distance) P-C4' energy: -174.573 flat angles C4'-P-C4' energy: -213.398 flat angles P-C4'-P energy: -133.776 tors. eta vs tors. theta energy: -264.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2976.487279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.487279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.487279 (E_RNA) where: Base-Base interactions energy: -2019.450 where: short stacking energy: -889.598 Base-Backbone interact. energy: -0.247 local terms energy: -956.790697 where: bonds (distance) C4'-P energy: -173.397 bonds (distance) P-C4' energy: -186.150 flat angles C4'-P-C4' energy: -196.944 flat angles P-C4'-P energy: -128.930 tors. eta vs tors. theta energy: -271.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2863.892326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.892326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.892326 (E_RNA) where: Base-Base interactions energy: -1931.900 where: short stacking energy: -875.737 Base-Backbone interact. energy: -0.761 local terms energy: -931.231481 where: bonds (distance) C4'-P energy: -162.795 bonds (distance) P-C4' energy: -192.665 flat angles C4'-P-C4' energy: -196.082 flat angles P-C4'-P energy: -123.049 tors. eta vs tors. theta energy: -256.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2723.292543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.292543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.292543 (E_RNA) where: Base-Base interactions energy: -1851.361 where: short stacking energy: -815.310 Base-Backbone interact. energy: -1.707 local terms energy: -870.224406 where: bonds (distance) C4'-P energy: -168.049 bonds (distance) P-C4' energy: -165.423 flat angles C4'-P-C4' energy: -182.571 flat angles P-C4'-P energy: -126.872 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: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2573.349499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.349499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.349499 (E_RNA) where: Base-Base interactions energy: -1764.645 where: short stacking energy: -787.679 Base-Backbone interact. energy: -1.170 local terms energy: -807.534587 where: bonds (distance) C4'-P energy: -144.454 bonds (distance) P-C4' energy: -162.159 flat angles C4'-P-C4' energy: -173.723 flat angles P-C4'-P energy: -131.625 tors. eta vs tors. theta energy: -195.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2232.614043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.614043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.614043 (E_RNA) where: Base-Base interactions energy: -1503.488 where: short stacking energy: -678.610 Base-Backbone interact. energy: -3.588 local terms energy: -725.537921 where: bonds (distance) C4'-P energy: -139.569 bonds (distance) P-C4' energy: -142.033 flat angles C4'-P-C4' energy: -159.639 flat angles P-C4'-P energy: -108.458 tors. eta vs tors. theta energy: -175.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2086.284719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.284719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.284719 (E_RNA) where: Base-Base interactions energy: -1379.956 where: short stacking energy: -598.429 Base-Backbone interact. energy: 0.478 local terms energy: -706.806098 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -155.652 flat angles C4'-P-C4' energy: -167.282 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -151.019 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: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1721.593632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.593632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.593632 (E_RNA) where: Base-Base interactions energy: -1078.947 where: short stacking energy: -506.280 Base-Backbone interact. energy: -2.613 local terms energy: -640.033716 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -169.425 flat angles C4'-P-C4' energy: -159.579 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -105.247 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: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1233.706189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.706189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.706189 (E_RNA) where: Base-Base interactions energy: -697.287 where: short stacking energy: -328.676 Base-Backbone interact. energy: -1.037 local terms energy: -535.382017 where: bonds (distance) C4'-P energy: -154.895 bonds (distance) P-C4' energy: -151.867 flat angles C4'-P-C4' energy: -119.839 flat angles P-C4'-P energy: -88.660 tors. eta vs tors. theta energy: -20.121 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: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -810.088916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.088916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.088916 (E_RNA) where: Base-Base interactions energy: -369.172 where: short stacking energy: -272.458 Base-Backbone interact. energy: -3.254 local terms energy: -437.662441 where: bonds (distance) C4'-P energy: -118.737 bonds (distance) P-C4' energy: -146.348 flat angles C4'-P-C4' energy: -118.868 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: 16.862 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3074.651905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.651905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.651905 (E_RNA) where: Base-Base interactions energy: -2109.469 where: short stacking energy: -944.888 Base-Backbone interact. energy: -3.801 local terms energy: -961.381655 where: bonds (distance) C4'-P energy: -179.573 bonds (distance) P-C4' energy: -187.829 flat angles C4'-P-C4' energy: -191.379 flat angles P-C4'-P energy: -135.960 tors. eta vs tors. theta energy: -266.640 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: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2978.413528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.413528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.413528 (E_RNA) where: Base-Base interactions energy: -2012.935 where: short stacking energy: -917.772 Base-Backbone interact. energy: -1.508 local terms energy: -963.970351 where: bonds (distance) C4'-P energy: -162.213 bonds (distance) P-C4' energy: -181.512 flat angles C4'-P-C4' energy: -211.841 flat angles P-C4'-P energy: -138.971 tors. eta vs tors. theta energy: -269.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2907.513207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.513207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.513207 (E_RNA) where: Base-Base interactions energy: -1999.695 where: short stacking energy: -902.289 Base-Backbone interact. energy: -5.267 local terms energy: -902.551094 where: bonds (distance) C4'-P energy: -162.821 bonds (distance) P-C4' energy: -171.271 flat angles C4'-P-C4' energy: -186.648 flat angles P-C4'-P energy: -139.949 tors. eta vs tors. theta energy: -241.861 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: 365 Temperature: 1.050000 Total energy: -2636.700482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.700482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.700482 (E_RNA) where: Base-Base interactions energy: -1819.326 where: short stacking energy: -812.816 Base-Backbone interact. energy: -0.862 local terms energy: -816.512228 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -167.085 flat angles C4'-P-C4' energy: -185.896 flat angles P-C4'-P energy: -109.669 tors. eta vs tors. theta energy: -217.044 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: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2541.908861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.908861 (E_RNA) where: Base-Base interactions energy: -1669.608 where: short stacking energy: -734.522 Base-Backbone interact. energy: -1.045 local terms energy: -871.256025 where: bonds (distance) C4'-P energy: -173.471 bonds (distance) P-C4' energy: -161.472 flat angles C4'-P-C4' energy: -190.028 flat angles P-C4'-P energy: -135.193 tors. eta vs tors. theta energy: -211.092 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: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2314.329032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.329032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.329032 (E_RNA) where: Base-Base interactions energy: -1537.508 where: short stacking energy: -690.928 Base-Backbone interact. energy: -0.825 local terms energy: -775.995861 where: bonds (distance) C4'-P energy: -149.306 bonds (distance) P-C4' energy: -173.295 flat angles C4'-P-C4' energy: -177.390 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -182.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2092.364033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.364033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.364033 (E_RNA) where: Base-Base interactions energy: -1370.275 where: short stacking energy: -625.083 Base-Backbone interact. energy: -2.380 local terms energy: -719.709870 where: bonds (distance) C4'-P energy: -122.981 bonds (distance) P-C4' energy: -172.106 flat angles C4'-P-C4' energy: -150.241 flat angles P-C4'-P energy: -111.064 tors. eta vs tors. theta energy: -163.318 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: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1678.807341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.807341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.807341 (E_RNA) where: Base-Base interactions energy: -1057.832 where: short stacking energy: -450.599 Base-Backbone interact. energy: 2.435 local terms energy: -623.410483 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -136.908 flat angles P-C4'-P energy: -92.351 tors. eta vs tors. theta energy: -91.174 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: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1262.473021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.473021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.473021 (E_RNA) where: Base-Base interactions energy: -698.958 where: short stacking energy: -369.378 Base-Backbone interact. energy: -1.897 local terms energy: -561.618382 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -148.788 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -42.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -869.037892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.037892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.037892 (E_RNA) where: Base-Base interactions energy: -420.986 where: short stacking energy: -256.622 Base-Backbone interact. energy: 0.766 local terms energy: -448.818196 where: bonds (distance) C4'-P energy: -111.803 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -118.338 flat angles P-C4'-P energy: -75.893 tors. eta vs tors. theta energy: 5.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3061.489061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.489061 (E_RNA) where: Base-Base interactions energy: -2091.498 where: short stacking energy: -951.173 Base-Backbone interact. energy: 0.097 local terms energy: -970.088019 where: bonds (distance) C4'-P energy: -163.187 bonds (distance) P-C4' energy: -176.321 flat angles C4'-P-C4' energy: -211.414 flat angles P-C4'-P energy: -138.644 tors. eta vs tors. theta energy: -280.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2958.267044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.267044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.267044 (E_RNA) where: Base-Base interactions energy: -2022.018 where: short stacking energy: -901.465 Base-Backbone interact. energy: -3.237 local terms energy: -933.011558 where: bonds (distance) C4'-P energy: -177.077 bonds (distance) P-C4' energy: -164.858 flat angles C4'-P-C4' energy: -201.239 flat angles P-C4'-P energy: -140.212 tors. eta vs tors. theta energy: -249.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2890.069330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.069330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.069330 (E_RNA) where: Base-Base interactions energy: -1979.966 where: short stacking energy: -862.930 Base-Backbone interact. energy: -1.489 local terms energy: -908.614185 where: bonds (distance) C4'-P energy: -169.846 bonds (distance) P-C4' energy: -179.940 flat angles C4'-P-C4' energy: -200.433 flat angles P-C4'-P energy: -113.242 tors. eta vs tors. theta energy: -245.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2692.432973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.432973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.432973 (E_RNA) where: Base-Base interactions energy: -1849.854 where: short stacking energy: -843.907 Base-Backbone interact. energy: -1.635 local terms energy: -840.944304 where: bonds (distance) C4'-P energy: -140.412 bonds (distance) P-C4' energy: -169.242 flat angles C4'-P-C4' energy: -181.237 flat angles P-C4'-P energy: -128.765 tors. eta vs tors. theta energy: -221.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2522.932665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.932665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.932665 (E_RNA) where: Base-Base interactions energy: -1664.645 where: short stacking energy: -763.388 Base-Backbone interact. energy: -2.627 local terms energy: -855.660869 where: bonds (distance) C4'-P energy: -150.884 bonds (distance) P-C4' energy: -170.613 flat angles C4'-P-C4' energy: -191.605 flat angles P-C4'-P energy: -131.605 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: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2274.792887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.792887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.792887 (E_RNA) where: Base-Base interactions energy: -1506.938 where: short stacking energy: -654.389 Base-Backbone interact. energy: -2.240 local terms energy: -765.615074 where: bonds (distance) C4'-P energy: -147.749 bonds (distance) P-C4' energy: -153.095 flat angles C4'-P-C4' energy: -174.565 flat angles P-C4'-P energy: -120.147 tors. eta vs tors. theta energy: -170.059 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2036.667096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.667096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.667096 (E_RNA) where: Base-Base interactions energy: -1320.512 where: short stacking energy: -639.690 Base-Backbone interact. energy: -0.805 local terms energy: -715.349517 where: bonds (distance) C4'-P energy: -136.659 bonds (distance) P-C4' energy: -169.795 flat angles C4'-P-C4' energy: -166.317 flat angles P-C4'-P energy: -96.569 tors. eta vs tors. theta energy: -146.010 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: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1762.425697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.425697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.425697 (E_RNA) where: Base-Base interactions energy: -1146.520 where: short stacking energy: -497.211 Base-Backbone interact. energy: -0.937 local terms energy: -614.968845 where: bonds (distance) C4'-P energy: -148.404 bonds (distance) P-C4' energy: -128.962 flat angles C4'-P-C4' energy: -152.412 flat angles P-C4'-P energy: -80.352 tors. eta vs tors. theta energy: -104.839 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: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1262.554943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.554943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.554943 (E_RNA) where: Base-Base interactions energy: -723.115 where: short stacking energy: -385.502 Base-Backbone interact. energy: 5.578 local terms energy: -545.017832 where: bonds (distance) C4'-P energy: -142.091 bonds (distance) P-C4' energy: -154.959 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -39.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -775.691348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.691348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.691348 (E_RNA) where: Base-Base interactions energy: -303.122 where: short stacking energy: -205.225 Base-Backbone interact. energy: -1.783 local terms energy: -470.786182 where: bonds (distance) C4'-P energy: -128.590 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -126.497 flat angles P-C4'-P energy: -86.329 tors. eta vs tors. theta energy: 34.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3051.314832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.314832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.314832 (E_RNA) where: Base-Base interactions energy: -2103.442 where: short stacking energy: -954.165 Base-Backbone interact. energy: 1.224 local terms energy: -949.096868 where: bonds (distance) C4'-P energy: -189.265 bonds (distance) P-C4' energy: -165.053 flat angles C4'-P-C4' energy: -202.015 flat angles P-C4'-P energy: -119.074 tors. eta vs tors. theta energy: -273.689 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: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2921.372049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.372049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.372049 (E_RNA) where: Base-Base interactions energy: -1989.109 where: short stacking energy: -871.343 Base-Backbone interact. energy: 1.315 local terms energy: -933.578182 where: bonds (distance) C4'-P energy: -178.269 bonds (distance) P-C4' energy: -183.600 flat angles C4'-P-C4' energy: -198.324 flat angles P-C4'-P energy: -122.175 tors. eta vs tors. theta energy: -251.211 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: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2890.019158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.019158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.019158 (E_RNA) where: Base-Base interactions energy: -1986.325 where: short stacking energy: -870.213 Base-Backbone interact. energy: -4.221 local terms energy: -899.473024 where: bonds (distance) C4'-P energy: -149.445 bonds (distance) P-C4' energy: -181.968 flat angles C4'-P-C4' energy: -206.217 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -246.800 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: 367 Temperature: 1.050000 Total energy: -2675.672767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.672767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.672767 (E_RNA) where: Base-Base interactions energy: -1824.266 where: short stacking energy: -812.949 Base-Backbone interact. energy: -0.266 local terms energy: -851.140405 where: bonds (distance) C4'-P energy: -152.904 bonds (distance) P-C4' energy: -162.541 flat angles C4'-P-C4' energy: -187.193 flat angles P-C4'-P energy: -123.792 tors. eta vs tors. theta energy: -224.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2475.408224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.408224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.408224 (E_RNA) where: Base-Base interactions energy: -1664.196 where: short stacking energy: -746.842 Base-Backbone interact. energy: -1.208 local terms energy: -810.003990 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -185.674 flat angles P-C4'-P energy: -115.770 tors. eta vs tors. theta energy: -193.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2351.920003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.920003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.920003 (E_RNA) where: Base-Base interactions energy: -1564.778 where: short stacking energy: -689.967 Base-Backbone interact. energy: 1.121 local terms energy: -788.262972 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -168.608 flat angles C4'-P-C4' energy: -173.186 flat angles P-C4'-P energy: -123.233 tors. eta vs tors. theta energy: -175.867 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: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2023.652582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.652582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.652582 (E_RNA) where: Base-Base interactions energy: -1301.569 where: short stacking energy: -614.337 Base-Backbone interact. energy: -1.208 local terms energy: -720.875899 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -140.463 flat angles C4'-P-C4' energy: -168.197 flat angles P-C4'-P energy: -110.486 tors. eta vs tors. theta energy: -155.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1762.377490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.377490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.377490 (E_RNA) where: Base-Base interactions energy: -1124.736 where: short stacking energy: -496.985 Base-Backbone interact. energy: -3.818 local terms energy: -633.823466 where: bonds (distance) C4'-P energy: -136.970 bonds (distance) P-C4' energy: -154.813 flat angles C4'-P-C4' energy: -160.662 flat angles P-C4'-P energy: -77.179 tors. eta vs tors. theta energy: -104.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1261.490966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.490966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.490966 (E_RNA) where: Base-Base interactions energy: -741.966 where: short stacking energy: -370.986 Base-Backbone interact. energy: -2.592 local terms energy: -516.933042 where: bonds (distance) C4'-P energy: -145.856 bonds (distance) P-C4' energy: -141.770 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -77.184 tors. eta vs tors. theta energy: -37.066 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: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -819.764524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.764524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.764524 (E_RNA) where: Base-Base interactions energy: -373.127 where: short stacking energy: -250.327 Base-Backbone interact. energy: -1.957 local terms energy: -444.681380 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -145.172 flat angles C4'-P-C4' energy: -122.245 flat angles P-C4'-P energy: -53.653 tors. eta vs tors. theta energy: 19.579 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: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3012.830781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.830781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.830781 (E_RNA) where: Base-Base interactions energy: -2048.751 where: short stacking energy: -926.118 Base-Backbone interact. energy: -1.238 local terms energy: -962.841816 where: bonds (distance) C4'-P energy: -172.419 bonds (distance) P-C4' energy: -168.598 flat angles C4'-P-C4' energy: -213.063 flat angles P-C4'-P energy: -135.564 tors. eta vs tors. theta energy: -273.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2930.895548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.895548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.895548 (E_RNA) where: Base-Base interactions energy: -1971.869 where: short stacking energy: -913.879 Base-Backbone interact. energy: 1.417 local terms energy: -960.443548 where: bonds (distance) C4'-P energy: -162.333 bonds (distance) P-C4' energy: -186.422 flat angles C4'-P-C4' energy: -212.633 flat angles P-C4'-P energy: -143.976 tors. eta vs tors. theta energy: -255.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2890.778000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.778000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.778000 (E_RNA) where: Base-Base interactions energy: -1955.459 where: short stacking energy: -843.401 Base-Backbone interact. energy: -3.903 local terms energy: -931.415919 where: bonds (distance) C4'-P energy: -177.706 bonds (distance) P-C4' energy: -188.296 flat angles C4'-P-C4' energy: -190.088 flat angles P-C4'-P energy: -128.744 tors. eta vs tors. theta energy: -246.582 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: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2735.252662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.252662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.252662 (E_RNA) where: Base-Base interactions energy: -1879.366 where: short stacking energy: -832.308 Base-Backbone interact. energy: -1.848 local terms energy: -854.038459 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -175.664 flat angles C4'-P-C4' energy: -196.245 flat angles P-C4'-P energy: -123.914 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: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2563.908324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.908324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.908324 (E_RNA) where: Base-Base interactions energy: -1730.945 where: short stacking energy: -753.757 Base-Backbone interact. energy: -2.563 local terms energy: -830.400288 where: bonds (distance) C4'-P energy: -168.722 bonds (distance) P-C4' energy: -176.205 flat angles C4'-P-C4' energy: -174.157 flat angles P-C4'-P energy: -117.532 tors. eta vs tors. theta energy: -193.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2311.822429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.822429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.822429 (E_RNA) where: Base-Base interactions energy: -1575.475 where: short stacking energy: -713.109 Base-Backbone interact. energy: -3.816 local terms energy: -732.531508 where: bonds (distance) C4'-P energy: -130.456 bonds (distance) P-C4' energy: -159.086 flat angles C4'-P-C4' energy: -161.897 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -179.591 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: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2048.061279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.061279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.061279 (E_RNA) where: Base-Base interactions energy: -1322.048 where: short stacking energy: -598.869 Base-Backbone interact. energy: -1.572 local terms energy: -724.441072 where: bonds (distance) C4'-P energy: -152.179 bonds (distance) P-C4' energy: -146.008 flat angles C4'-P-C4' energy: -176.278 flat angles P-C4'-P energy: -114.546 tors. eta vs tors. theta energy: -135.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1789.204567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.204567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.204567 (E_RNA) where: Base-Base interactions energy: -1138.950 where: short stacking energy: -536.709 Base-Backbone interact. energy: 4.185 local terms energy: -654.439554 where: bonds (distance) C4'-P energy: -153.804 bonds (distance) P-C4' energy: -152.346 flat angles C4'-P-C4' energy: -148.876 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -107.506 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: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1260.029577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.029577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.029577 (E_RNA) where: Base-Base interactions energy: -756.101 where: short stacking energy: -357.482 Base-Backbone interact. energy: 0.299 local terms energy: -504.227292 where: bonds (distance) C4'-P energy: -136.532 bonds (distance) P-C4' energy: -142.761 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -74.937 tors. eta vs tors. theta energy: -31.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -936.954848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.954848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.954848 (E_RNA) where: Base-Base interactions energy: -450.073 where: short stacking energy: -278.612 Base-Backbone interact. energy: -1.843 local terms energy: -485.039227 where: bonds (distance) C4'-P energy: -145.265 bonds (distance) P-C4' energy: -141.084 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: 20.543 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: 369 Temperature: 0.900000 Total energy: -3005.893814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.893814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.893814 (E_RNA) where: Base-Base interactions energy: -2057.492 where: short stacking energy: -916.855 Base-Backbone interact. energy: -0.946 local terms energy: -947.455269 where: bonds (distance) C4'-P energy: -178.526 bonds (distance) P-C4' energy: -180.623 flat angles C4'-P-C4' energy: -206.623 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -254.965 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: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2964.583979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.583979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.583979 (E_RNA) where: Base-Base interactions energy: -2022.539 where: short stacking energy: -905.688 Base-Backbone interact. energy: -4.397 local terms energy: -937.648440 where: bonds (distance) C4'-P energy: -164.433 bonds (distance) P-C4' energy: -191.583 flat angles C4'-P-C4' energy: -195.060 flat angles P-C4'-P energy: -125.638 tors. eta vs tors. theta energy: -260.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2905.605782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.605782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.605782 (E_RNA) where: Base-Base interactions energy: -1966.816 where: short stacking energy: -883.870 Base-Backbone interact. energy: -3.698 local terms energy: -935.091800 where: bonds (distance) C4'-P energy: -187.322 bonds (distance) P-C4' energy: -160.070 flat angles C4'-P-C4' energy: -200.184 flat angles P-C4'-P energy: -127.120 tors. eta vs tors. theta energy: -260.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2685.484760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.484760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.484760 (E_RNA) where: Base-Base interactions energy: -1831.248 where: short stacking energy: -825.856 Base-Backbone interact. energy: -3.583 local terms energy: -850.653687 where: bonds (distance) C4'-P energy: -140.420 bonds (distance) P-C4' energy: -167.994 flat angles C4'-P-C4' energy: -191.392 flat angles P-C4'-P energy: -130.920 tors. eta vs tors. theta energy: -219.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2534.769343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.769343 (E_RNA) where: Base-Base interactions energy: -1716.102 where: short stacking energy: -746.793 Base-Backbone interact. energy: -0.771 local terms energy: -817.896104 where: bonds (distance) C4'-P energy: -142.629 bonds (distance) P-C4' energy: -151.701 flat angles C4'-P-C4' energy: -198.639 flat angles P-C4'-P energy: -131.106 tors. eta vs tors. theta energy: -193.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2231.665199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.665199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.665199 (E_RNA) where: Base-Base interactions energy: -1466.012 where: short stacking energy: -653.653 Base-Backbone interact. energy: 6.793 local terms energy: -772.445775 where: bonds (distance) C4'-P energy: -160.366 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -182.698 flat angles P-C4'-P energy: -123.251 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: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2041.143019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.143019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.143019 (E_RNA) where: Base-Base interactions energy: -1351.074 where: short stacking energy: -597.402 Base-Backbone interact. energy: 1.573 local terms energy: -691.641950 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -140.723 flat angles C4'-P-C4' energy: -170.042 flat angles P-C4'-P energy: -118.962 tors. eta vs tors. theta energy: -135.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1696.058624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.058624 (E_RNA) where: Base-Base interactions energy: -1059.858 where: short stacking energy: -480.267 Base-Backbone interact. energy: -2.807 local terms energy: -633.393359 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -160.933 flat angles C4'-P-C4' energy: -156.509 flat angles P-C4'-P energy: -78.769 tors. eta vs tors. theta energy: -100.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1250.759144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.759144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.759144 (E_RNA) where: Base-Base interactions energy: -729.110 where: short stacking energy: -361.340 Base-Backbone interact. energy: 6.549 local terms energy: -528.198801 where: bonds (distance) C4'-P energy: -147.990 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -146.625 flat angles P-C4'-P energy: -79.914 tors. eta vs tors. theta energy: -21.121 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: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -894.716896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.716896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.716896 (E_RNA) where: Base-Base interactions energy: -425.080 where: short stacking energy: -254.043 Base-Backbone interact. energy: 5.835 local terms energy: -475.471835 where: bonds (distance) C4'-P energy: -141.401 bonds (distance) P-C4' energy: -170.439 flat angles C4'-P-C4' energy: -119.487 flat angles P-C4'-P energy: -54.314 tors. eta vs tors. theta energy: 10.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3034.149933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.149933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.149933 (E_RNA) where: Base-Base interactions energy: -2064.791 where: short stacking energy: -950.887 Base-Backbone interact. energy: -4.297 local terms energy: -965.062900 where: bonds (distance) C4'-P energy: -179.646 bonds (distance) P-C4' energy: -170.713 flat angles C4'-P-C4' energy: -211.345 flat angles P-C4'-P energy: -137.342 tors. eta vs tors. theta energy: -266.017 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: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2947.303035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.303035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.303035 (E_RNA) where: Base-Base interactions energy: -2042.485 where: short stacking energy: -885.993 Base-Backbone interact. energy: -3.371 local terms energy: -901.447455 where: bonds (distance) C4'-P energy: -168.267 bonds (distance) P-C4' energy: -154.700 flat angles C4'-P-C4' energy: -200.783 flat angles P-C4'-P energy: -129.922 tors. eta vs tors. theta energy: -247.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2879.264927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.264927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.264927 (E_RNA) where: Base-Base interactions energy: -1962.377 where: short stacking energy: -855.471 Base-Backbone interact. energy: -1.501 local terms energy: -915.386981 where: bonds (distance) C4'-P energy: -157.632 bonds (distance) P-C4' energy: -170.611 flat angles C4'-P-C4' energy: -208.134 flat angles P-C4'-P energy: -127.516 tors. eta vs tors. theta energy: -251.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2735.087818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.087818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.087818 (E_RNA) where: Base-Base interactions energy: -1858.358 where: short stacking energy: -813.601 Base-Backbone interact. energy: -0.967 local terms energy: -875.762528 where: bonds (distance) C4'-P energy: -170.597 bonds (distance) P-C4' energy: -169.693 flat angles C4'-P-C4' energy: -183.581 flat angles P-C4'-P energy: -134.327 tors. eta vs tors. theta energy: -217.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2575.385108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.385108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.385108 (E_RNA) where: Base-Base interactions energy: -1759.176 where: short stacking energy: -793.189 Base-Backbone interact. energy: 2.862 local terms energy: -819.070651 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -158.471 flat angles C4'-P-C4' energy: -185.633 flat angles P-C4'-P energy: -113.411 tors. eta vs tors. theta energy: -225.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2235.085884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.085884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.085884 (E_RNA) where: Base-Base interactions energy: -1492.460 where: short stacking energy: -670.282 Base-Backbone interact. energy: 6.880 local terms energy: -749.506153 where: bonds (distance) C4'-P energy: -141.106 bonds (distance) P-C4' energy: -167.818 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -109.578 tors. eta vs tors. theta energy: -173.520 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2075.699238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.699238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.699238 (E_RNA) where: Base-Base interactions energy: -1379.292 where: short stacking energy: -605.466 Base-Backbone interact. energy: -3.906 local terms energy: -692.500711 where: bonds (distance) C4'-P energy: -157.577 bonds (distance) P-C4' energy: -145.597 flat angles C4'-P-C4' energy: -172.379 flat angles P-C4'-P energy: -91.696 tors. eta vs tors. theta energy: -125.253 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: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1683.229211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.229211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.229211 (E_RNA) where: Base-Base interactions energy: -1078.004 where: short stacking energy: -496.164 Base-Backbone interact. energy: 0.645 local terms energy: -605.869690 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -153.326 flat angles C4'-P-C4' energy: -137.663 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -107.172 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: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1208.504814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.504814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.504814 (E_RNA) where: Base-Base interactions energy: -690.023 where: short stacking energy: -378.767 Base-Backbone interact. energy: 10.231 local terms energy: -528.713650 where: bonds (distance) C4'-P energy: -154.829 bonds (distance) P-C4' energy: -136.640 flat angles C4'-P-C4' energy: -129.759 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -32.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -880.157195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.157195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.157195 (E_RNA) where: Base-Base interactions energy: -412.934 where: short stacking energy: -255.412 Base-Backbone interact. energy: 4.065 local terms energy: -471.287619 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -157.587 flat angles C4'-P-C4' energy: -127.273 flat angles P-C4'-P energy: -72.842 tors. eta vs tors. theta energy: 13.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3003.867272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.867272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.867272 (E_RNA) where: Base-Base interactions energy: -2075.643 where: short stacking energy: -935.583 Base-Backbone interact. energy: -1.325 local terms energy: -926.898840 where: bonds (distance) C4'-P energy: -157.882 bonds (distance) P-C4' energy: -176.635 flat angles C4'-P-C4' energy: -200.625 flat angles P-C4'-P energy: -128.410 tors. eta vs tors. theta energy: -263.347 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: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3014.344499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.344499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.344499 (E_RNA) where: Base-Base interactions energy: -2070.822 where: short stacking energy: -912.443 Base-Backbone interact. energy: -2.120 local terms energy: -941.402497 where: bonds (distance) C4'-P energy: -167.727 bonds (distance) P-C4' energy: -175.787 flat angles C4'-P-C4' energy: -200.641 flat angles P-C4'-P energy: -135.466 tors. eta vs tors. theta energy: -261.782 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: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2837.655711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.655711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.655711 (E_RNA) where: Base-Base interactions energy: -1911.793 where: short stacking energy: -845.813 Base-Backbone interact. energy: -0.551 local terms energy: -925.311925 where: bonds (distance) C4'-P energy: -176.371 bonds (distance) P-C4' energy: -176.960 flat angles C4'-P-C4' energy: -186.399 flat angles P-C4'-P energy: -142.290 tors. eta vs tors. theta energy: -243.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2688.635108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.635108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.635108 (E_RNA) where: Base-Base interactions energy: -1856.170 where: short stacking energy: -820.295 Base-Backbone interact. energy: -1.316 local terms energy: -831.148721 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -165.022 flat angles C4'-P-C4' energy: -188.437 flat angles P-C4'-P energy: -106.612 tors. eta vs tors. theta energy: -216.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2558.196333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.196333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.196333 (E_RNA) where: Base-Base interactions energy: -1763.986 where: short stacking energy: -784.307 Base-Backbone interact. energy: -0.272 local terms energy: -793.938177 where: bonds (distance) C4'-P energy: -147.365 bonds (distance) P-C4' energy: -155.764 flat angles C4'-P-C4' energy: -173.626 flat angles P-C4'-P energy: -115.092 tors. eta vs tors. theta energy: -202.091 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: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2300.667468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.667468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.667468 (E_RNA) where: Base-Base interactions energy: -1557.328 where: short stacking energy: -678.708 Base-Backbone interact. energy: 0.387 local terms energy: -743.726743 where: bonds (distance) C4'-P energy: -152.617 bonds (distance) P-C4' energy: -148.451 flat angles C4'-P-C4' energy: -188.843 flat angles P-C4'-P energy: -88.664 tors. eta vs tors. theta energy: -165.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2109.250601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.250601 (E_RNA) where: Base-Base interactions energy: -1406.662 where: short stacking energy: -619.735 Base-Backbone interact. energy: -0.890 local terms energy: -701.699309 where: bonds (distance) C4'-P energy: -152.143 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -151.715 flat angles P-C4'-P energy: -114.250 tors. eta vs tors. theta energy: -137.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1648.934990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.934990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.934990 (E_RNA) where: Base-Base interactions energy: -1033.319 where: short stacking energy: -480.080 Base-Backbone interact. energy: -2.401 local terms energy: -613.214331 where: bonds (distance) C4'-P energy: -152.887 bonds (distance) P-C4' energy: -163.717 flat angles C4'-P-C4' energy: -152.349 flat angles P-C4'-P energy: -54.873 tors. eta vs tors. theta energy: -89.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1235.409534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.409534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.409534 (E_RNA) where: Base-Base interactions energy: -697.744 where: short stacking energy: -349.161 Base-Backbone interact. energy: 10.219 local terms energy: -547.885162 where: bonds (distance) C4'-P energy: -139.461 bonds (distance) P-C4' energy: -153.949 flat angles C4'-P-C4' energy: -137.212 flat angles P-C4'-P energy: -91.992 tors. eta vs tors. theta energy: -25.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -807.742975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.742975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.742975 (E_RNA) where: Base-Base interactions energy: -372.371 where: short stacking energy: -215.945 Base-Backbone interact. energy: 4.987 local terms energy: -440.359235 where: bonds (distance) C4'-P energy: -143.481 bonds (distance) P-C4' energy: -145.538 flat angles C4'-P-C4' energy: -97.895 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: 18.271 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: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3018.198480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.198480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.198480 (E_RNA) where: Base-Base interactions energy: -2066.760 where: short stacking energy: -925.959 Base-Backbone interact. energy: -1.261 local terms energy: -950.177163 where: bonds (distance) C4'-P energy: -180.166 bonds (distance) P-C4' energy: -199.058 flat angles C4'-P-C4' energy: -188.877 flat angles P-C4'-P energy: -120.672 tors. eta vs tors. theta energy: -261.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3013.334541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.334541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.334541 (E_RNA) where: Base-Base interactions energy: -2066.957 where: short stacking energy: -914.668 Base-Backbone interact. energy: -0.877 local terms energy: -945.500735 where: bonds (distance) C4'-P energy: -170.062 bonds (distance) P-C4' energy: -181.027 flat angles C4'-P-C4' energy: -202.519 flat angles P-C4'-P energy: -136.846 tors. eta vs tors. theta energy: -255.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2824.921228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.921228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.921228 (E_RNA) where: Base-Base interactions energy: -1933.415 where: short stacking energy: -825.193 Base-Backbone interact. energy: 0.261 local terms energy: -891.767124 where: bonds (distance) C4'-P energy: -172.598 bonds (distance) P-C4' energy: -175.741 flat angles C4'-P-C4' energy: -193.291 flat angles P-C4'-P energy: -127.469 tors. eta vs tors. theta energy: -222.668 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: 372 Temperature: 1.050000 Total energy: -2679.079485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.079485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.079485 (E_RNA) where: Base-Base interactions energy: -1811.633 where: short stacking energy: -793.447 Base-Backbone interact. energy: -3.550 local terms energy: -863.896308 where: bonds (distance) C4'-P energy: -169.836 bonds (distance) P-C4' energy: -170.775 flat angles C4'-P-C4' energy: -190.332 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -212.897 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: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2503.038146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.038146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.038146 (E_RNA) where: Base-Base interactions energy: -1676.832 where: short stacking energy: -753.604 Base-Backbone interact. energy: -4.970 local terms energy: -821.236590 where: bonds (distance) C4'-P energy: -169.155 bonds (distance) P-C4' energy: -163.353 flat angles C4'-P-C4' energy: -181.163 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -198.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2293.704470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.704470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.704470 (E_RNA) where: Base-Base interactions energy: -1537.575 where: short stacking energy: -712.622 Base-Backbone interact. energy: 3.551 local terms energy: -759.679626 where: bonds (distance) C4'-P energy: -140.936 bonds (distance) P-C4' energy: -164.038 flat angles C4'-P-C4' energy: -171.814 flat angles P-C4'-P energy: -109.710 tors. eta vs tors. theta energy: -173.182 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: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2124.723569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.723569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.723569 (E_RNA) where: Base-Base interactions energy: -1389.302 where: short stacking energy: -626.137 Base-Backbone interact. energy: -4.100 local terms energy: -731.321865 where: bonds (distance) C4'-P energy: -153.577 bonds (distance) P-C4' energy: -154.248 flat angles C4'-P-C4' energy: -156.479 flat angles P-C4'-P energy: -111.171 tors. eta vs tors. theta energy: -155.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1642.107587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.107587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.107587 (E_RNA) where: Base-Base interactions energy: -1006.553 where: short stacking energy: -476.631 Base-Backbone interact. energy: -0.422 local terms energy: -635.133279 where: bonds (distance) C4'-P energy: -147.334 bonds (distance) P-C4' energy: -145.096 flat angles C4'-P-C4' energy: -162.090 flat angles P-C4'-P energy: -85.853 tors. eta vs tors. theta energy: -94.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1205.036336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.036336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.036336 (E_RNA) where: Base-Base interactions energy: -643.176 where: short stacking energy: -356.004 Base-Backbone interact. energy: 0.238 local terms energy: -562.097504 where: bonds (distance) C4'-P energy: -138.321 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -142.899 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -39.138 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: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -813.994915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.994915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.994915 (E_RNA) where: Base-Base interactions energy: -378.014 where: short stacking energy: -231.428 Base-Backbone interact. energy: -4.271 local terms energy: -431.709895 where: bonds (distance) C4'-P energy: -107.568 bonds (distance) P-C4' energy: -137.822 flat angles C4'-P-C4' energy: -128.679 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: 12.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3042.067702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.067702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.067702 (E_RNA) where: Base-Base interactions energy: -2077.293 where: short stacking energy: -923.810 Base-Backbone interact. energy: -5.175 local terms energy: -959.600350 where: bonds (distance) C4'-P energy: -165.615 bonds (distance) P-C4' energy: -182.716 flat angles C4'-P-C4' energy: -224.820 flat angles P-C4'-P energy: -133.727 tors. eta vs tors. theta energy: -252.723 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: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3005.747627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.747627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.747627 (E_RNA) where: Base-Base interactions energy: -2070.426 where: short stacking energy: -905.393 Base-Backbone interact. energy: -5.980 local terms energy: -929.341444 where: bonds (distance) C4'-P energy: -168.601 bonds (distance) P-C4' energy: -168.035 flat angles C4'-P-C4' energy: -197.137 flat angles P-C4'-P energy: -139.989 tors. eta vs tors. theta energy: -255.580 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: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2827.448332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.448332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.448332 (E_RNA) where: Base-Base interactions energy: -1914.239 where: short stacking energy: -847.800 Base-Backbone interact. energy: 4.125 local terms energy: -917.334196 where: bonds (distance) C4'-P energy: -168.690 bonds (distance) P-C4' energy: -177.131 flat angles C4'-P-C4' energy: -176.432 flat angles P-C4'-P energy: -140.620 tors. eta vs tors. theta energy: -254.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2682.937769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.937769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.937769 (E_RNA) where: Base-Base interactions energy: -1812.703 where: short stacking energy: -794.696 Base-Backbone interact. energy: -2.388 local terms energy: -867.847053 where: bonds (distance) C4'-P energy: -181.903 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -183.332 flat angles P-C4'-P energy: -135.201 tors. eta vs tors. theta energy: -218.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2552.513802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.513802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.513802 (E_RNA) where: Base-Base interactions energy: -1717.046 where: short stacking energy: -783.843 Base-Backbone interact. energy: -1.964 local terms energy: -833.503891 where: bonds (distance) C4'-P energy: -149.368 bonds (distance) P-C4' energy: -170.201 flat angles C4'-P-C4' energy: -173.250 flat angles P-C4'-P energy: -120.143 tors. eta vs tors. theta energy: -220.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2197.124610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.124610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.124610 (E_RNA) where: Base-Base interactions energy: -1438.718 where: short stacking energy: -674.736 Base-Backbone interact. energy: 2.463 local terms energy: -760.869982 where: bonds (distance) C4'-P energy: -140.313 bonds (distance) P-C4' energy: -174.603 flat angles C4'-P-C4' energy: -166.524 flat angles P-C4'-P energy: -113.646 tors. eta vs tors. theta energy: -165.784 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2241.660182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.660182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.660182 (E_RNA) where: Base-Base interactions energy: -1505.108 where: short stacking energy: -676.701 Base-Backbone interact. energy: -5.386 local terms energy: -731.166066 where: bonds (distance) C4'-P energy: -140.426 bonds (distance) P-C4' energy: -152.756 flat angles C4'-P-C4' energy: -175.861 flat angles P-C4'-P energy: -102.981 tors. eta vs tors. theta energy: -159.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1605.158454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.158454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.158454 (E_RNA) where: Base-Base interactions energy: -994.007 where: short stacking energy: -480.321 Base-Backbone interact. energy: 2.907 local terms energy: -614.058532 where: bonds (distance) C4'-P energy: -138.052 bonds (distance) P-C4' energy: -151.322 flat angles C4'-P-C4' energy: -156.013 flat angles P-C4'-P energy: -83.816 tors. eta vs tors. theta energy: -84.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1165.220719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.220719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.220719 (E_RNA) where: Base-Base interactions energy: -648.676 where: short stacking energy: -295.899 Base-Backbone interact. energy: -3.751 local terms energy: -512.793456 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -139.320 flat angles C4'-P-C4' energy: -136.565 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -843.803677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.803677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.803677 (E_RNA) where: Base-Base interactions energy: -359.667 where: short stacking energy: -249.489 Base-Backbone interact. energy: 4.172 local terms energy: -488.308529 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -152.140 flat angles C4'-P-C4' energy: -131.573 flat angles P-C4'-P energy: -69.482 tors. eta vs tors. theta energy: 3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3057.115112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.115112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.115112 (E_RNA) where: Base-Base interactions energy: -2087.259 where: short stacking energy: -942.215 Base-Backbone interact. energy: -1.100 local terms energy: -968.756153 where: bonds (distance) C4'-P energy: -184.687 bonds (distance) P-C4' energy: -183.251 flat angles C4'-P-C4' energy: -198.897 flat angles P-C4'-P energy: -135.170 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: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2973.407976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.407976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.407976 (E_RNA) where: Base-Base interactions energy: -1988.049 where: short stacking energy: -894.683 Base-Backbone interact. energy: 1.044 local terms energy: -986.402795 where: bonds (distance) C4'-P energy: -191.077 bonds (distance) P-C4' energy: -174.150 flat angles C4'-P-C4' energy: -214.068 flat angles P-C4'-P energy: -140.667 tors. eta vs tors. theta energy: -266.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2910.580997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.580997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.580997 (E_RNA) where: Base-Base interactions energy: -1984.667 where: short stacking energy: -901.414 Base-Backbone interact. energy: 3.324 local terms energy: -929.237335 where: bonds (distance) C4'-P energy: -165.564 bonds (distance) P-C4' energy: -175.440 flat angles C4'-P-C4' energy: -199.720 flat angles P-C4'-P energy: -128.895 tors. eta vs tors. theta energy: -259.618 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: 374 Temperature: 1.050000 Total energy: -2697.341659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.341659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.341659 (E_RNA) where: Base-Base interactions energy: -1833.684 where: short stacking energy: -812.376 Base-Backbone interact. energy: -0.124 local terms energy: -863.533379 where: bonds (distance) C4'-P energy: -175.017 bonds (distance) P-C4' energy: -169.797 flat angles C4'-P-C4' energy: -182.070 flat angles P-C4'-P energy: -110.213 tors. eta vs tors. theta energy: -226.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2566.470621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.470621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.470621 (E_RNA) where: Base-Base interactions energy: -1729.644 where: short stacking energy: -786.209 Base-Backbone interact. energy: 0.198 local terms energy: -837.024087 where: bonds (distance) C4'-P energy: -161.233 bonds (distance) P-C4' energy: -136.941 flat angles C4'-P-C4' energy: -191.235 flat angles P-C4'-P energy: -114.986 tors. eta vs tors. theta energy: -232.630 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: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2230.238735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.238735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.238735 (E_RNA) where: Base-Base interactions energy: -1479.011 where: short stacking energy: -677.563 Base-Backbone interact. energy: -0.059 local terms energy: -751.169198 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -171.079 flat angles C4'-P-C4' energy: -172.522 flat angles P-C4'-P energy: -107.673 tors. eta vs tors. theta energy: -175.958 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: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2278.755487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.755487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.755487 (E_RNA) where: Base-Base interactions energy: -1533.875 where: short stacking energy: -707.549 Base-Backbone interact. energy: -1.381 local terms energy: -743.499838 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -156.036 flat angles C4'-P-C4' energy: -165.949 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -172.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1537.849427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.849427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.849427 (E_RNA) where: Base-Base interactions energy: -952.916 where: short stacking energy: -469.996 Base-Backbone interact. energy: 2.247 local terms energy: -587.179771 where: bonds (distance) C4'-P energy: -170.651 bonds (distance) P-C4' energy: -124.486 flat angles C4'-P-C4' energy: -143.549 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -60.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1148.997229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.997229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.997229 (E_RNA) where: Base-Base interactions energy: -632.236 where: short stacking energy: -312.834 Base-Backbone interact. energy: 0.398 local terms energy: -517.158743 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -168.024 flat angles C4'-P-C4' energy: -121.861 flat angles P-C4'-P energy: -72.618 tors. eta vs tors. theta energy: -26.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -817.221526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.221526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.221526 (E_RNA) where: Base-Base interactions energy: -382.335 where: short stacking energy: -232.465 Base-Backbone interact. energy: 7.802 local terms energy: -442.688877 where: bonds (distance) C4'-P energy: -134.455 bonds (distance) P-C4' energy: -136.349 flat angles C4'-P-C4' energy: -134.749 flat angles P-C4'-P energy: -63.915 tors. eta vs tors. theta energy: 26.778 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: 375 Temperature: 0.900000 Total energy: -3035.238000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.238000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.238000 (E_RNA) where: Base-Base interactions energy: -2060.053 where: short stacking energy: -952.656 Base-Backbone interact. energy: -1.678 local terms energy: -973.507043 where: bonds (distance) C4'-P energy: -177.139 bonds (distance) P-C4' energy: -183.132 flat angles C4'-P-C4' energy: -221.337 flat angles P-C4'-P energy: -128.468 tors. eta vs tors. theta energy: -263.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2968.217714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.217714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.217714 (E_RNA) where: Base-Base interactions energy: -2047.160 where: short stacking energy: -921.438 Base-Backbone interact. energy: -5.089 local terms energy: -915.968952 where: bonds (distance) C4'-P energy: -165.309 bonds (distance) P-C4' energy: -188.843 flat angles C4'-P-C4' energy: -188.680 flat angles P-C4'-P energy: -124.042 tors. eta vs tors. theta energy: -249.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2889.210927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.210927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.210927 (E_RNA) where: Base-Base interactions energy: -1962.111 where: short stacking energy: -891.417 Base-Backbone interact. energy: -2.420 local terms energy: -924.680242 where: bonds (distance) C4'-P energy: -158.428 bonds (distance) P-C4' energy: -181.740 flat angles C4'-P-C4' energy: -213.812 flat angles P-C4'-P energy: -121.683 tors. eta vs tors. theta energy: -249.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2635.452537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.452537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.452537 (E_RNA) where: Base-Base interactions energy: -1758.113 where: short stacking energy: -788.350 Base-Backbone interact. energy: -3.095 local terms energy: -874.244540 where: bonds (distance) C4'-P energy: -157.569 bonds (distance) P-C4' energy: -187.460 flat angles C4'-P-C4' energy: -190.923 flat angles P-C4'-P energy: -125.418 tors. eta vs tors. theta energy: -212.874 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: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2531.272737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.272737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.272737 (E_RNA) where: Base-Base interactions energy: -1718.965 where: short stacking energy: -751.466 Base-Backbone interact. energy: 4.545 local terms energy: -816.852307 where: bonds (distance) C4'-P energy: -149.869 bonds (distance) P-C4' energy: -187.977 flat angles C4'-P-C4' energy: -153.430 flat angles P-C4'-P energy: -110.571 tors. eta vs tors. theta energy: -215.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2193.477374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.477374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.477374 (E_RNA) where: Base-Base interactions energy: -1424.804 where: short stacking energy: -664.689 Base-Backbone interact. energy: -1.996 local terms energy: -766.677544 where: bonds (distance) C4'-P energy: -144.248 bonds (distance) P-C4' energy: -171.537 flat angles C4'-P-C4' energy: -167.320 flat angles P-C4'-P energy: -111.923 tors. eta vs tors. theta energy: -171.650 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: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2138.905266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.905266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.905266 (E_RNA) where: Base-Base interactions energy: -1408.790 where: short stacking energy: -617.899 Base-Backbone interact. energy: -0.932 local terms energy: -729.183095 where: bonds (distance) C4'-P energy: -160.918 bonds (distance) P-C4' energy: -157.752 flat angles C4'-P-C4' energy: -148.812 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -158.210 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: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1592.484025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.484025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.484025 (E_RNA) where: Base-Base interactions energy: -996.591 where: short stacking energy: -443.508 Base-Backbone interact. energy: -0.937 local terms energy: -594.955813 where: bonds (distance) C4'-P energy: -139.092 bonds (distance) P-C4' energy: -167.481 flat angles C4'-P-C4' energy: -136.082 flat angles P-C4'-P energy: -77.075 tors. eta vs tors. theta energy: -75.226 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: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1191.093248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.093248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.093248 (E_RNA) where: Base-Base interactions energy: -648.583 where: short stacking energy: -358.297 Base-Backbone interact. energy: 2.505 local terms energy: -545.014979 where: bonds (distance) C4'-P energy: -134.871 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -153.919 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -30.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -882.368467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.368467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.368467 (E_RNA) where: Base-Base interactions energy: -437.280 where: short stacking energy: -272.960 Base-Backbone interact. energy: -2.567 local terms energy: -442.521478 where: bonds (distance) C4'-P energy: -136.638 bonds (distance) P-C4' energy: -124.592 flat angles C4'-P-C4' energy: -124.999 flat angles P-C4'-P energy: -66.759 tors. eta vs tors. theta energy: 10.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3047.580902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.580902 (E_RNA) where: Base-Base interactions energy: -2090.535 where: short stacking energy: -940.379 Base-Backbone interact. energy: 0.051 local terms energy: -957.096765 where: bonds (distance) C4'-P energy: -182.577 bonds (distance) P-C4' energy: -188.237 flat angles C4'-P-C4' energy: -197.139 flat angles P-C4'-P energy: -112.926 tors. eta vs tors. theta energy: -276.218 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: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2924.311784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.311784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.311784 (E_RNA) where: Base-Base interactions energy: -1989.368 where: short stacking energy: -888.601 Base-Backbone interact. energy: -4.760 local terms energy: -930.184533 where: bonds (distance) C4'-P energy: -168.518 bonds (distance) P-C4' energy: -176.100 flat angles C4'-P-C4' energy: -205.462 flat angles P-C4'-P energy: -120.030 tors. eta vs tors. theta energy: -260.074 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: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2864.902704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.902704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.902704 (E_RNA) where: Base-Base interactions energy: -1965.258 where: short stacking energy: -878.875 Base-Backbone interact. energy: -1.111 local terms energy: -898.533457 where: bonds (distance) C4'-P energy: -158.298 bonds (distance) P-C4' energy: -163.525 flat angles C4'-P-C4' energy: -194.512 flat angles P-C4'-P energy: -131.287 tors. eta vs tors. theta energy: -250.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2694.904533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.904533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.904533 (E_RNA) where: Base-Base interactions energy: -1815.390 where: short stacking energy: -809.470 Base-Backbone interact. energy: 7.250 local terms energy: -886.765105 where: bonds (distance) C4'-P energy: -183.685 bonds (distance) P-C4' energy: -164.615 flat angles C4'-P-C4' energy: -193.686 flat angles P-C4'-P energy: -127.677 tors. eta vs tors. theta energy: -217.102 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: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2473.489612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.489612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.489612 (E_RNA) where: Base-Base interactions energy: -1669.952 where: short stacking energy: -759.852 Base-Backbone interact. energy: 3.451 local terms energy: -806.989064 where: bonds (distance) C4'-P energy: -154.176 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -103.356 tors. eta vs tors. theta energy: -211.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2270.383063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.383063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.383063 (E_RNA) where: Base-Base interactions energy: -1503.519 where: short stacking energy: -699.715 Base-Backbone interact. energy: 2.255 local terms energy: -769.119703 where: bonds (distance) C4'-P energy: -167.899 bonds (distance) P-C4' energy: -150.402 flat angles C4'-P-C4' energy: -184.425 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -174.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2101.493067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.493067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.493067 (E_RNA) where: Base-Base interactions energy: -1407.398 where: short stacking energy: -608.153 Base-Backbone interact. energy: 1.463 local terms energy: -695.557702 where: bonds (distance) C4'-P energy: -153.020 bonds (distance) P-C4' energy: -159.326 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -88.398 tors. eta vs tors. theta energy: -141.584 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: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1594.660898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.660898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.660898 (E_RNA) where: Base-Base interactions energy: -992.268 where: short stacking energy: -496.464 Base-Backbone interact. energy: -2.705 local terms energy: -599.688031 where: bonds (distance) C4'-P energy: -137.350 bonds (distance) P-C4' energy: -160.964 flat angles C4'-P-C4' energy: -138.826 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -85.036 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: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1154.897664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.897664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.897664 (E_RNA) where: Base-Base interactions energy: -623.065 where: short stacking energy: -318.286 Base-Backbone interact. energy: -2.730 local terms energy: -529.102522 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -163.034 flat angles C4'-P-C4' energy: -128.650 flat angles P-C4'-P energy: -91.842 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -932.340532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.340532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.340532 (E_RNA) where: Base-Base interactions energy: -441.527 where: short stacking energy: -260.326 Base-Backbone interact. energy: 1.838 local terms energy: -492.651315 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -152.371 flat angles C4'-P-C4' energy: -131.249 flat angles P-C4'-P energy: -75.423 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3078.191253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.191253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.191253 (E_RNA) where: Base-Base interactions energy: -2078.962 where: short stacking energy: -910.977 Base-Backbone interact. energy: -2.834 local terms energy: -996.394815 where: bonds (distance) C4'-P energy: -177.450 bonds (distance) P-C4' energy: -194.138 flat angles C4'-P-C4' energy: -217.557 flat angles P-C4'-P energy: -147.253 tors. eta vs tors. theta energy: -259.997 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: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2936.864776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.864776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.864776 (E_RNA) where: Base-Base interactions energy: -2016.623 where: short stacking energy: -905.754 Base-Backbone interact. energy: -2.901 local terms energy: -917.341003 where: bonds (distance) C4'-P energy: -168.279 bonds (distance) P-C4' energy: -160.263 flat angles C4'-P-C4' energy: -197.578 flat angles P-C4'-P energy: -133.882 tors. eta vs tors. theta energy: -257.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2798.218716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.218716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.218716 (E_RNA) where: Base-Base interactions energy: -1889.814 where: short stacking energy: -857.479 Base-Backbone interact. energy: 0.581 local terms energy: -908.985317 where: bonds (distance) C4'-P energy: -175.723 bonds (distance) P-C4' energy: -183.403 flat angles C4'-P-C4' energy: -183.128 flat angles P-C4'-P energy: -120.148 tors. eta vs tors. theta energy: -246.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2696.259598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.259598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.259598 (E_RNA) where: Base-Base interactions energy: -1824.775 where: short stacking energy: -802.564 Base-Backbone interact. energy: -2.441 local terms energy: -869.043591 where: bonds (distance) C4'-P energy: -165.412 bonds (distance) P-C4' energy: -172.536 flat angles C4'-P-C4' energy: -182.109 flat angles P-C4'-P energy: -127.690 tors. eta vs tors. theta energy: -221.296 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: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2549.953480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.953480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.953480 (E_RNA) where: Base-Base interactions energy: -1744.098 where: short stacking energy: -770.286 Base-Backbone interact. energy: 2.793 local terms energy: -808.648461 where: bonds (distance) C4'-P energy: -147.702 bonds (distance) P-C4' energy: -172.813 flat angles C4'-P-C4' energy: -156.719 flat angles P-C4'-P energy: -113.436 tors. eta vs tors. theta energy: -217.979 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2344.325173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.325173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.325173 (E_RNA) where: Base-Base interactions energy: -1517.453 where: short stacking energy: -689.920 Base-Backbone interact. energy: 4.557 local terms energy: -831.429744 where: bonds (distance) C4'-P energy: -161.152 bonds (distance) P-C4' energy: -163.271 flat angles C4'-P-C4' energy: -186.883 flat angles P-C4'-P energy: -121.734 tors. eta vs tors. theta energy: -198.390 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: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2087.337778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.337778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.337778 (E_RNA) where: Base-Base interactions energy: -1415.646 where: short stacking energy: -632.710 Base-Backbone interact. energy: -0.207 local terms energy: -671.485245 where: bonds (distance) C4'-P energy: -130.859 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -95.566 tors. eta vs tors. theta energy: -148.086 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: 377 Temperature: 1.250000 Total energy: -1623.775545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.775545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.775545 (E_RNA) where: Base-Base interactions energy: -1021.447 where: short stacking energy: -479.823 Base-Backbone interact. energy: -0.615 local terms energy: -601.713452 where: bonds (distance) C4'-P energy: -136.404 bonds (distance) P-C4' energy: -135.626 flat angles C4'-P-C4' energy: -158.692 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -88.810 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: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1212.867019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.867019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.867019 (E_RNA) where: Base-Base interactions energy: -689.817 where: short stacking energy: -347.450 Base-Backbone interact. energy: 1.363 local terms energy: -524.413741 where: bonds (distance) C4'-P energy: -126.468 bonds (distance) P-C4' energy: -151.676 flat angles C4'-P-C4' energy: -139.586 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -34.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -796.502343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.502343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.502343 (E_RNA) where: Base-Base interactions energy: -314.569 where: short stacking energy: -188.855 Base-Backbone interact. energy: 4.819 local terms energy: -486.751960 where: bonds (distance) C4'-P energy: -141.576 bonds (distance) P-C4' energy: -143.537 flat angles C4'-P-C4' energy: -131.524 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: 14.684 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: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3083.497130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.497130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.497130 (E_RNA) where: Base-Base interactions energy: -2102.922 where: short stacking energy: -943.267 Base-Backbone interact. energy: -1.826 local terms energy: -978.748524 where: bonds (distance) C4'-P energy: -184.699 bonds (distance) P-C4' energy: -185.686 flat angles C4'-P-C4' energy: -199.781 flat angles P-C4'-P energy: -137.158 tors. eta vs tors. theta energy: -271.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2954.144819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.144819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.144819 (E_RNA) where: Base-Base interactions energy: -2013.278 where: short stacking energy: -887.291 Base-Backbone interact. energy: -1.769 local terms energy: -939.098411 where: bonds (distance) C4'-P energy: -182.201 bonds (distance) P-C4' energy: -165.727 flat angles C4'-P-C4' energy: -195.327 flat angles P-C4'-P energy: -137.783 tors. eta vs tors. theta energy: -258.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2779.469257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.469257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.469257 (E_RNA) where: Base-Base interactions energy: -1890.175 where: short stacking energy: -833.571 Base-Backbone interact. energy: -2.836 local terms energy: -886.457658 where: bonds (distance) C4'-P energy: -160.962 bonds (distance) P-C4' energy: -161.185 flat angles C4'-P-C4' energy: -192.608 flat angles P-C4'-P energy: -125.223 tors. eta vs tors. theta energy: -246.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2695.261952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.261952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.261952 (E_RNA) where: Base-Base interactions energy: -1855.310 where: short stacking energy: -832.312 Base-Backbone interact. energy: -0.834 local terms energy: -839.117326 where: bonds (distance) C4'-P energy: -162.534 bonds (distance) P-C4' energy: -158.847 flat angles C4'-P-C4' energy: -192.089 flat angles P-C4'-P energy: -118.117 tors. eta vs tors. theta energy: -207.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2567.964831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.964831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.964831 (E_RNA) where: Base-Base interactions energy: -1768.345 where: short stacking energy: -792.328 Base-Backbone interact. energy: 3.011 local terms energy: -802.630799 where: bonds (distance) C4'-P energy: -162.984 bonds (distance) P-C4' energy: -148.104 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -207.621 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2323.734692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.734692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.734692 (E_RNA) where: Base-Base interactions energy: -1562.368 where: short stacking energy: -726.215 Base-Backbone interact. energy: -1.192 local terms energy: -760.174732 where: bonds (distance) C4'-P energy: -164.821 bonds (distance) P-C4' energy: -145.396 flat angles C4'-P-C4' energy: -164.048 flat angles P-C4'-P energy: -102.118 tors. eta vs tors. theta energy: -183.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2085.381962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.381962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.381962 (E_RNA) where: Base-Base interactions energy: -1365.111 where: short stacking energy: -595.204 Base-Backbone interact. energy: -2.544 local terms energy: -717.727311 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -165.324 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -154.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1655.876511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.876511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.876511 (E_RNA) where: Base-Base interactions energy: -1021.580 where: short stacking energy: -481.004 Base-Backbone interact. energy: 2.249 local terms energy: -636.545967 where: bonds (distance) C4'-P energy: -165.409 bonds (distance) P-C4' energy: -151.397 flat angles C4'-P-C4' energy: -155.360 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -69.557 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: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1291.830304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.830304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.830304 (E_RNA) where: Base-Base interactions energy: -718.310 where: short stacking energy: -379.651 Base-Backbone interact. energy: -0.021 local terms energy: -573.499438 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -134.623 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -59.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -870.486723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.486723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.486723 (E_RNA) where: Base-Base interactions energy: -392.202 where: short stacking energy: -274.172 Base-Backbone interact. energy: 5.891 local terms energy: -484.175409 where: bonds (distance) C4'-P energy: -143.677 bonds (distance) P-C4' energy: -153.214 flat angles C4'-P-C4' energy: -124.921 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3065.609094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.609094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.609094 (E_RNA) where: Base-Base interactions energy: -2093.911 where: short stacking energy: -944.265 Base-Backbone interact. energy: -5.544 local terms energy: -966.153515 where: bonds (distance) C4'-P energy: -192.451 bonds (distance) P-C4' energy: -168.372 flat angles C4'-P-C4' energy: -205.173 flat angles P-C4'-P energy: -129.822 tors. eta vs tors. theta energy: -270.336 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: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2959.429949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.429949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.429949 (E_RNA) where: Base-Base interactions energy: -2036.945 where: short stacking energy: -902.565 Base-Backbone interact. energy: 2.768 local terms energy: -925.252985 where: bonds (distance) C4'-P energy: -177.286 bonds (distance) P-C4' energy: -181.167 flat angles C4'-P-C4' energy: -182.686 flat angles P-C4'-P energy: -117.490 tors. eta vs tors. theta energy: -266.623 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: 379 Temperature: 1.000000 Total energy: -2831.315223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.315223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.315223 (E_RNA) where: Base-Base interactions energy: -1919.745 where: short stacking energy: -851.741 Base-Backbone interact. energy: 0.204 local terms energy: -911.773771 where: bonds (distance) C4'-P energy: -164.292 bonds (distance) P-C4' energy: -170.693 flat angles C4'-P-C4' energy: -195.229 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -255.944 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: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2720.881463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.881463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.881463 (E_RNA) where: Base-Base interactions energy: -1860.432 where: short stacking energy: -823.486 Base-Backbone interact. energy: -1.581 local terms energy: -858.867627 where: bonds (distance) C4'-P energy: -158.408 bonds (distance) P-C4' energy: -166.449 flat angles C4'-P-C4' energy: -169.260 flat angles P-C4'-P energy: -140.740 tors. eta vs tors. theta energy: -224.010 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: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2583.360066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.360066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.360066 (E_RNA) where: Base-Base interactions energy: -1749.619 where: short stacking energy: -803.594 Base-Backbone interact. energy: -2.514 local terms energy: -831.227842 where: bonds (distance) C4'-P energy: -154.525 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -186.846 flat angles P-C4'-P energy: -116.120 tors. eta vs tors. theta energy: -217.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2359.300967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.300967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.300967 (E_RNA) where: Base-Base interactions energy: -1592.364 where: short stacking energy: -733.881 Base-Backbone interact. energy: -0.566 local terms energy: -766.371132 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -142.548 flat angles C4'-P-C4' energy: -176.417 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -197.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2124.813374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.813374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.813374 (E_RNA) where: Base-Base interactions energy: -1430.318 where: short stacking energy: -608.651 Base-Backbone interact. energy: 5.045 local terms energy: -699.540231 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -132.596 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -109.103 tors. eta vs tors. theta energy: -140.229 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: 379 Temperature: 1.250000 Total energy: -1630.164540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.164540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.164540 (E_RNA) where: Base-Base interactions energy: -1009.245 where: short stacking energy: -461.497 Base-Backbone interact. energy: 5.075 local terms energy: -625.994651 where: bonds (distance) C4'-P energy: -138.461 bonds (distance) P-C4' energy: -157.349 flat angles C4'-P-C4' energy: -158.159 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -76.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1263.579258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.579258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.579258 (E_RNA) where: Base-Base interactions energy: -677.128 where: short stacking energy: -347.728 Base-Backbone interact. energy: -0.373 local terms energy: -586.078152 where: bonds (distance) C4'-P energy: -145.756 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -143.492 flat angles P-C4'-P energy: -103.122 tors. eta vs tors. theta energy: -38.533 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: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -830.818921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.818921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.818921 (E_RNA) where: Base-Base interactions energy: -368.545 where: short stacking energy: -217.755 Base-Backbone interact. energy: 3.191 local terms energy: -465.465280 where: bonds (distance) C4'-P energy: -122.225 bonds (distance) P-C4' energy: -147.228 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: 29.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3102.207750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.207750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.207750 (E_RNA) where: Base-Base interactions energy: -2099.676 where: short stacking energy: -945.852 Base-Backbone interact. energy: -2.737 local terms energy: -999.794440 where: bonds (distance) C4'-P energy: -189.501 bonds (distance) P-C4' energy: -181.514 flat angles C4'-P-C4' energy: -195.610 flat angles P-C4'-P energy: -152.651 tors. eta vs tors. theta energy: -280.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2986.293215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.293215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.293215 (E_RNA) where: Base-Base interactions energy: -2045.960 where: short stacking energy: -927.112 Base-Backbone interact. energy: -1.023 local terms energy: -939.309839 where: bonds (distance) C4'-P energy: -164.350 bonds (distance) P-C4' energy: -181.625 flat angles C4'-P-C4' energy: -193.937 flat angles P-C4'-P energy: -127.793 tors. eta vs tors. theta energy: -271.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2839.509365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.509365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.509365 (E_RNA) where: Base-Base interactions energy: -1954.499 where: short stacking energy: -883.796 Base-Backbone interact. energy: -6.213 local terms energy: -878.797002 where: bonds (distance) C4'-P energy: -169.823 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -177.127 flat angles P-C4'-P energy: -135.262 tors. eta vs tors. theta energy: -246.458 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: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2739.436652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.436652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.436652 (E_RNA) where: Base-Base interactions energy: -1877.712 where: short stacking energy: -822.934 Base-Backbone interact. energy: 3.084 local terms energy: -864.808519 where: bonds (distance) C4'-P energy: -165.379 bonds (distance) P-C4' energy: -166.149 flat angles C4'-P-C4' energy: -181.586 flat angles P-C4'-P energy: -134.623 tors. eta vs tors. theta energy: -217.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2558.235178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.235178 (E_RNA) where: Base-Base interactions energy: -1739.559 where: short stacking energy: -786.397 Base-Backbone interact. energy: 2.214 local terms energy: -820.889847 where: bonds (distance) C4'-P energy: -134.030 bonds (distance) P-C4' energy: -169.230 flat angles C4'-P-C4' energy: -190.899 flat angles P-C4'-P energy: -103.697 tors. eta vs tors. theta energy: -223.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2305.207350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.207350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.207350 (E_RNA) where: Base-Base interactions energy: -1537.184 where: short stacking energy: -717.000 Base-Backbone interact. energy: -0.160 local terms energy: -767.863628 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -165.148 flat angles C4'-P-C4' energy: -183.392 flat angles P-C4'-P energy: -108.344 tors. eta vs tors. theta energy: -177.449 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: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2158.230891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.230891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.230891 (E_RNA) where: Base-Base interactions energy: -1462.678 where: short stacking energy: -648.275 Base-Backbone interact. energy: -1.560 local terms energy: -693.992616 where: bonds (distance) C4'-P energy: -148.131 bonds (distance) P-C4' energy: -151.914 flat angles C4'-P-C4' energy: -149.853 flat angles P-C4'-P energy: -84.982 tors. eta vs tors. theta energy: -159.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1626.580001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.580001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.580001 (E_RNA) where: Base-Base interactions energy: -1013.164 where: short stacking energy: -469.112 Base-Backbone interact. energy: -4.472 local terms energy: -608.943608 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -156.048 flat angles C4'-P-C4' energy: -149.058 flat angles P-C4'-P energy: -88.453 tors. eta vs tors. theta energy: -83.456 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: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1271.773173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.773173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.773173 (E_RNA) where: Base-Base interactions energy: -770.138 where: short stacking energy: -343.818 Base-Backbone interact. energy: 8.902 local terms energy: -510.536911 where: bonds (distance) C4'-P energy: -156.614 bonds (distance) P-C4' energy: -145.125 flat angles C4'-P-C4' energy: -119.836 flat angles P-C4'-P energy: -61.803 tors. eta vs tors. theta energy: -27.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -848.484655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.484655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.484655 (E_RNA) where: Base-Base interactions energy: -409.944 where: short stacking energy: -267.873 Base-Backbone interact. energy: 2.033 local terms energy: -440.573686 where: bonds (distance) C4'-P energy: -110.907 bonds (distance) P-C4' energy: -161.829 flat angles C4'-P-C4' energy: -117.351 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: 14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3144.667352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.667352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.667352 (E_RNA) where: Base-Base interactions energy: -2181.639 where: short stacking energy: -947.308 Base-Backbone interact. energy: -4.990 local terms energy: -958.038839 where: bonds (distance) C4'-P energy: -156.794 bonds (distance) P-C4' energy: -197.642 flat angles C4'-P-C4' energy: -206.012 flat angles P-C4'-P energy: -127.134 tors. eta vs tors. theta energy: -270.456 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: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2937.000523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.000523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.000523 (E_RNA) where: Base-Base interactions energy: -1976.315 where: short stacking energy: -870.540 Base-Backbone interact. energy: -1.883 local terms energy: -958.802398 where: bonds (distance) C4'-P energy: -169.838 bonds (distance) P-C4' energy: -186.130 flat angles C4'-P-C4' energy: -202.219 flat angles P-C4'-P energy: -144.962 tors. eta vs tors. theta energy: -255.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2869.861997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.861997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.861997 (E_RNA) where: Base-Base interactions energy: -1959.398 where: short stacking energy: -865.151 Base-Backbone interact. energy: -2.222 local terms energy: -908.241229 where: bonds (distance) C4'-P energy: -168.251 bonds (distance) P-C4' energy: -165.559 flat angles C4'-P-C4' energy: -197.866 flat angles P-C4'-P energy: -129.412 tors. eta vs tors. theta energy: -247.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2699.620328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.620328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.620328 (E_RNA) where: Base-Base interactions energy: -1858.531 where: short stacking energy: -817.296 Base-Backbone interact. energy: 0.043 local terms energy: -841.132666 where: bonds (distance) C4'-P energy: -154.760 bonds (distance) P-C4' energy: -153.836 flat angles C4'-P-C4' energy: -194.718 flat angles P-C4'-P energy: -131.323 tors. eta vs tors. theta energy: -206.496 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: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2562.057513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.057513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.057513 (E_RNA) where: Base-Base interactions energy: -1696.638 where: short stacking energy: -771.495 Base-Backbone interact. energy: 1.191 local terms energy: -866.611379 where: bonds (distance) C4'-P energy: -167.559 bonds (distance) P-C4' energy: -169.222 flat angles C4'-P-C4' energy: -194.221 flat angles P-C4'-P energy: -126.295 tors. eta vs tors. theta energy: -209.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2288.304788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.304788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.304788 (E_RNA) where: Base-Base interactions energy: -1541.579 where: short stacking energy: -718.340 Base-Backbone interact. energy: -3.837 local terms energy: -742.888204 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -146.158 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -131.654 tors. eta vs tors. theta energy: -178.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2138.719783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.719783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.719783 (E_RNA) where: Base-Base interactions energy: -1438.271 where: short stacking energy: -626.991 Base-Backbone interact. energy: -0.633 local terms energy: -699.815235 where: bonds (distance) C4'-P energy: -143.770 bonds (distance) P-C4' energy: -135.104 flat angles C4'-P-C4' energy: -160.600 flat angles P-C4'-P energy: -99.215 tors. eta vs tors. theta energy: -161.127 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: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1577.212193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.212193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.212193 (E_RNA) where: Base-Base interactions energy: -962.270 where: short stacking energy: -428.810 Base-Backbone interact. energy: -0.475 local terms energy: -614.467166 where: bonds (distance) C4'-P energy: -146.613 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -146.325 flat angles P-C4'-P energy: -89.058 tors. eta vs tors. theta energy: -83.134 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: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1226.627412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.627412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.627412 (E_RNA) where: Base-Base interactions energy: -742.359 where: short stacking energy: -372.503 Base-Backbone interact. energy: -3.762 local terms energy: -480.506678 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -133.658 flat angles C4'-P-C4' energy: -145.176 flat angles P-C4'-P energy: -57.833 tors. eta vs tors. theta energy: -21.193 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: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -829.185012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.185012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.185012 (E_RNA) where: Base-Base interactions energy: -380.858 where: short stacking energy: -221.067 Base-Backbone interact. energy: -0.591 local terms energy: -447.735333 where: bonds (distance) C4'-P energy: -138.194 bonds (distance) P-C4' energy: -128.438 flat angles C4'-P-C4' energy: -143.524 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: 25.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3152.571085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.571085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.571085 (E_RNA) where: Base-Base interactions energy: -2159.431 where: short stacking energy: -956.805 Base-Backbone interact. energy: -2.683 local terms energy: -990.457128 where: bonds (distance) C4'-P energy: -155.443 bonds (distance) P-C4' energy: -186.481 flat angles C4'-P-C4' energy: -206.676 flat angles P-C4'-P energy: -156.413 tors. eta vs tors. theta energy: -285.445 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: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2926.206868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.206868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.206868 (E_RNA) where: Base-Base interactions energy: -2011.350 where: short stacking energy: -896.987 Base-Backbone interact. energy: -0.525 local terms energy: -914.331517 where: bonds (distance) C4'-P energy: -166.216 bonds (distance) P-C4' energy: -172.336 flat angles C4'-P-C4' energy: -199.226 flat angles P-C4'-P energy: -122.586 tors. eta vs tors. theta energy: -253.968 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: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2850.002668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.002668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.002668 (E_RNA) where: Base-Base interactions energy: -1950.748 where: short stacking energy: -863.866 Base-Backbone interact. energy: -2.817 local terms energy: -896.437286 where: bonds (distance) C4'-P energy: -154.766 bonds (distance) P-C4' energy: -184.013 flat angles C4'-P-C4' energy: -187.426 flat angles P-C4'-P energy: -119.128 tors. eta vs tors. theta energy: -251.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2673.617923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.617923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.617923 (E_RNA) where: Base-Base interactions energy: -1850.428 where: short stacking energy: -806.371 Base-Backbone interact. energy: -2.420 local terms energy: -820.770436 where: bonds (distance) C4'-P energy: -162.217 bonds (distance) P-C4' energy: -148.893 flat angles C4'-P-C4' energy: -190.186 flat angles P-C4'-P energy: -116.137 tors. eta vs tors. theta energy: -203.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2543.231589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.231589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.231589 (E_RNA) where: Base-Base interactions energy: -1713.892 where: short stacking energy: -780.406 Base-Backbone interact. energy: -2.555 local terms energy: -826.784095 where: bonds (distance) C4'-P energy: -162.564 bonds (distance) P-C4' energy: -156.649 flat angles C4'-P-C4' energy: -177.634 flat angles P-C4'-P energy: -117.214 tors. eta vs tors. theta energy: -212.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2249.383269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.383269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.383269 (E_RNA) where: Base-Base interactions energy: -1458.514 where: short stacking energy: -699.417 Base-Backbone interact. energy: -0.760 local terms energy: -790.109455 where: bonds (distance) C4'-P energy: -148.864 bonds (distance) P-C4' energy: -153.849 flat angles C4'-P-C4' energy: -180.736 flat angles P-C4'-P energy: -127.470 tors. eta vs tors. theta energy: -179.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2108.342719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.342719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.342719 (E_RNA) where: Base-Base interactions energy: -1432.530 where: short stacking energy: -626.436 Base-Backbone interact. energy: 0.532 local terms energy: -676.344902 where: bonds (distance) C4'-P energy: -144.350 bonds (distance) P-C4' energy: -144.257 flat angles C4'-P-C4' energy: -157.640 flat angles P-C4'-P energy: -91.020 tors. eta vs tors. theta energy: -139.077 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: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1539.737076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.737076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.737076 (E_RNA) where: Base-Base interactions energy: -947.701 where: short stacking energy: -459.302 Base-Backbone interact. energy: -3.818 local terms energy: -588.217294 where: bonds (distance) C4'-P energy: -147.380 bonds (distance) P-C4' energy: -156.043 flat angles C4'-P-C4' energy: -148.072 flat angles P-C4'-P energy: -64.968 tors. eta vs tors. theta energy: -71.755 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: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1218.240687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.240687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.240687 (E_RNA) where: Base-Base interactions energy: -699.769 where: short stacking energy: -348.026 Base-Backbone interact. energy: 3.246 local terms energy: -521.717417 where: bonds (distance) C4'-P energy: -117.162 bonds (distance) P-C4' energy: -154.185 flat angles C4'-P-C4' energy: -157.119 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: -23.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -839.136322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.136322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.136322 (E_RNA) where: Base-Base interactions energy: -412.727 where: short stacking energy: -255.360 Base-Backbone interact. energy: 0.812 local terms energy: -427.221129 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -151.306 flat angles C4'-P-C4' energy: -111.494 flat angles P-C4'-P energy: -69.799 tors. eta vs tors. theta energy: 22.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3125.015489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.015489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.015489 (E_RNA) where: Base-Base interactions energy: -2160.810 where: short stacking energy: -938.649 Base-Backbone interact. energy: -3.427 local terms energy: -960.778128 where: bonds (distance) C4'-P energy: -167.653 bonds (distance) P-C4' energy: -183.101 flat angles C4'-P-C4' energy: -209.180 flat angles P-C4'-P energy: -134.823 tors. eta vs tors. theta energy: -266.021 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: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2932.234437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.234437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.234437 (E_RNA) where: Base-Base interactions energy: -1981.552 where: short stacking energy: -882.744 Base-Backbone interact. energy: -2.782 local terms energy: -947.899961 where: bonds (distance) C4'-P energy: -172.881 bonds (distance) P-C4' energy: -185.483 flat angles C4'-P-C4' energy: -201.987 flat angles P-C4'-P energy: -134.569 tors. eta vs tors. theta energy: -252.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2905.783553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.783553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.783553 (E_RNA) where: Base-Base interactions energy: -1979.883 where: short stacking energy: -899.837 Base-Backbone interact. energy: -0.647 local terms energy: -925.253753 where: bonds (distance) C4'-P energy: -168.438 bonds (distance) P-C4' energy: -178.264 flat angles C4'-P-C4' energy: -189.696 flat angles P-C4'-P energy: -127.044 tors. eta vs tors. theta energy: -261.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2692.557428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.557428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.557428 (E_RNA) where: Base-Base interactions energy: -1869.017 where: short stacking energy: -831.979 Base-Backbone interact. energy: -0.337 local terms energy: -823.202574 where: bonds (distance) C4'-P energy: -166.589 bonds (distance) P-C4' energy: -152.671 flat angles C4'-P-C4' energy: -189.862 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -204.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2575.234188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.234188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.234188 (E_RNA) where: Base-Base interactions energy: -1712.654 where: short stacking energy: -775.076 Base-Backbone interact. energy: -1.463 local terms energy: -861.117017 where: bonds (distance) C4'-P energy: -165.697 bonds (distance) P-C4' energy: -166.691 flat angles C4'-P-C4' energy: -182.858 flat angles P-C4'-P energy: -126.465 tors. eta vs tors. theta energy: -219.406 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: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2342.811411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.811411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.811411 (E_RNA) where: Base-Base interactions energy: -1543.111 where: short stacking energy: -716.129 Base-Backbone interact. energy: -1.092 local terms energy: -798.608994 where: bonds (distance) C4'-P energy: -156.875 bonds (distance) P-C4' energy: -148.464 flat angles C4'-P-C4' energy: -185.043 flat angles P-C4'-P energy: -112.521 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: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2134.676064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.676064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.676064 (E_RNA) where: Base-Base interactions energy: -1444.558 where: short stacking energy: -604.379 Base-Backbone interact. energy: 1.211 local terms energy: -691.329205 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -141.994 flat angles C4'-P-C4' energy: -174.834 flat angles P-C4'-P energy: -123.811 tors. eta vs tors. theta energy: -117.804 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1531.481394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.481394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.481394 (E_RNA) where: Base-Base interactions energy: -948.987 where: short stacking energy: -445.327 Base-Backbone interact. energy: -3.329 local terms energy: -579.165441 where: bonds (distance) C4'-P energy: -136.301 bonds (distance) P-C4' energy: -138.674 flat angles C4'-P-C4' energy: -138.488 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -81.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1207.875730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.875730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.875730 (E_RNA) where: Base-Base interactions energy: -684.807 where: short stacking energy: -331.022 Base-Backbone interact. energy: 1.237 local terms energy: -524.305663 where: bonds (distance) C4'-P energy: -138.479 bonds (distance) P-C4' energy: -150.085 flat angles C4'-P-C4' energy: -127.336 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -43.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -994.374618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.374618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.374618 (E_RNA) where: Base-Base interactions energy: -485.729 where: short stacking energy: -289.512 Base-Backbone interact. energy: 9.546 local terms energy: -518.191683 where: bonds (distance) C4'-P energy: -142.673 bonds (distance) P-C4' energy: -170.555 flat angles C4'-P-C4' energy: -129.995 flat angles P-C4'-P energy: -75.835 tors. eta vs tors. theta energy: 0.866 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: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3132.453492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.453492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.453492 (E_RNA) where: Base-Base interactions energy: -2149.923 where: short stacking energy: -930.372 Base-Backbone interact. energy: -3.654 local terms energy: -978.876606 where: bonds (distance) C4'-P energy: -190.629 bonds (distance) P-C4' energy: -185.352 flat angles C4'-P-C4' energy: -196.161 flat angles P-C4'-P energy: -141.453 tors. eta vs tors. theta energy: -265.281 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: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2953.143966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.143966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.143966 (E_RNA) where: Base-Base interactions energy: -2048.329 where: short stacking energy: -884.866 Base-Backbone interact. energy: -5.288 local terms energy: -899.526441 where: bonds (distance) C4'-P energy: -143.695 bonds (distance) P-C4' energy: -183.231 flat angles C4'-P-C4' energy: -187.347 flat angles P-C4'-P energy: -128.823 tors. eta vs tors. theta energy: -256.430 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: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2864.772478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.772478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.772478 (E_RNA) where: Base-Base interactions energy: -1946.999 where: short stacking energy: -882.993 Base-Backbone interact. energy: -3.235 local terms energy: -914.538128 where: bonds (distance) C4'-P energy: -164.006 bonds (distance) P-C4' energy: -169.901 flat angles C4'-P-C4' energy: -188.562 flat angles P-C4'-P energy: -130.794 tors. eta vs tors. theta energy: -261.276 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: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2722.235801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.235801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.235801 (E_RNA) where: Base-Base interactions energy: -1878.681 where: short stacking energy: -823.485 Base-Backbone interact. energy: -0.717 local terms energy: -842.837356 where: bonds (distance) C4'-P energy: -161.990 bonds (distance) P-C4' energy: -174.053 flat angles C4'-P-C4' energy: -181.239 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -220.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2564.135778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.135778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.135778 (E_RNA) where: Base-Base interactions energy: -1737.737 where: short stacking energy: -765.548 Base-Backbone interact. energy: -2.513 local terms energy: -823.885994 where: bonds (distance) C4'-P energy: -147.931 bonds (distance) P-C4' energy: -170.096 flat angles C4'-P-C4' energy: -173.740 flat angles P-C4'-P energy: -109.398 tors. eta vs tors. theta energy: -222.721 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: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2303.211871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.211871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.211871 (E_RNA) where: Base-Base interactions energy: -1516.196 where: short stacking energy: -669.733 Base-Backbone interact. energy: -2.328 local terms energy: -784.687251 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -170.616 flat angles C4'-P-C4' energy: -180.673 flat angles P-C4'-P energy: -123.460 tors. eta vs tors. theta energy: -173.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2201.367675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.367675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.367675 (E_RNA) where: Base-Base interactions energy: -1480.741 where: short stacking energy: -617.596 Base-Backbone interact. energy: -2.087 local terms energy: -718.540465 where: bonds (distance) C4'-P energy: -150.507 bonds (distance) P-C4' energy: -149.560 flat angles C4'-P-C4' energy: -158.061 flat angles P-C4'-P energy: -107.798 tors. eta vs tors. theta energy: -152.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1560.884810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.884810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.884810 (E_RNA) where: Base-Base interactions energy: -959.393 where: short stacking energy: -434.573 Base-Backbone interact. energy: 0.015 local terms energy: -601.506544 where: bonds (distance) C4'-P energy: -147.991 bonds (distance) P-C4' energy: -159.310 flat angles C4'-P-C4' energy: -124.759 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -69.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1197.086258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.086258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.086258 (E_RNA) where: Base-Base interactions energy: -628.833 where: short stacking energy: -376.869 Base-Backbone interact. energy: 1.226 local terms energy: -569.478957 where: bonds (distance) C4'-P energy: -141.574 bonds (distance) P-C4' energy: -146.833 flat angles C4'-P-C4' energy: -142.829 flat angles P-C4'-P energy: -86.220 tors. eta vs tors. theta energy: -52.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -890.656681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.656681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.656681 (E_RNA) where: Base-Base interactions energy: -398.876 where: short stacking energy: -245.592 Base-Backbone interact. energy: 3.377 local terms energy: -495.156987 where: bonds (distance) C4'-P energy: -154.940 bonds (distance) P-C4' energy: -148.675 flat angles C4'-P-C4' energy: -126.802 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: 13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3117.153474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.153474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.153474 (E_RNA) where: Base-Base interactions energy: -2149.632 where: short stacking energy: -946.425 Base-Backbone interact. energy: -4.405 local terms energy: -963.115811 where: bonds (distance) C4'-P energy: -179.554 bonds (distance) P-C4' energy: -187.008 flat angles C4'-P-C4' energy: -200.036 flat angles P-C4'-P energy: -136.570 tors. eta vs tors. theta energy: -259.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2955.499968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.499968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.499968 (E_RNA) where: Base-Base interactions energy: -2029.874 where: short stacking energy: -919.915 Base-Backbone interact. energy: -2.783 local terms energy: -922.843323 where: bonds (distance) C4'-P energy: -159.474 bonds (distance) P-C4' energy: -166.729 flat angles C4'-P-C4' energy: -201.374 flat angles P-C4'-P energy: -130.843 tors. eta vs tors. theta energy: -264.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2858.779909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.779909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.779909 (E_RNA) where: Base-Base interactions energy: -1983.346 where: short stacking energy: -850.432 Base-Backbone interact. energy: -1.841 local terms energy: -873.592123 where: bonds (distance) C4'-P energy: -141.572 bonds (distance) P-C4' energy: -171.459 flat angles C4'-P-C4' energy: -183.524 flat angles P-C4'-P energy: -128.417 tors. eta vs tors. theta energy: -248.620 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: 385 Temperature: 1.050000 Total energy: -2711.982788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.982788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.982788 (E_RNA) where: Base-Base interactions energy: -1880.693 where: short stacking energy: -822.918 Base-Backbone interact. energy: -0.680 local terms energy: -830.609381 where: bonds (distance) C4'-P energy: -146.890 bonds (distance) P-C4' energy: -161.147 flat angles C4'-P-C4' energy: -185.516 flat angles P-C4'-P energy: -129.581 tors. eta vs tors. theta energy: -207.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2549.440789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.440789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.440789 (E_RNA) where: Base-Base interactions energy: -1716.649 where: short stacking energy: -746.722 Base-Backbone interact. energy: -0.736 local terms energy: -832.054958 where: bonds (distance) C4'-P energy: -157.347 bonds (distance) P-C4' energy: -146.810 flat angles C4'-P-C4' energy: -184.318 flat angles P-C4'-P energy: -131.621 tors. eta vs tors. theta energy: -211.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2312.067393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.067393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.067393 (E_RNA) where: Base-Base interactions energy: -1523.319 where: short stacking energy: -717.304 Base-Backbone interact. energy: -3.319 local terms energy: -785.430045 where: bonds (distance) C4'-P energy: -139.591 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -188.208 flat angles P-C4'-P energy: -111.615 tors. eta vs tors. theta energy: -194.440 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: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2201.943108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.943108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.943108 (E_RNA) where: Base-Base interactions energy: -1450.163 where: short stacking energy: -608.372 Base-Backbone interact. energy: -0.907 local terms energy: -750.873063 where: bonds (distance) C4'-P energy: -154.967 bonds (distance) P-C4' energy: -173.414 flat angles C4'-P-C4' energy: -167.922 flat angles P-C4'-P energy: -106.788 tors. eta vs tors. theta energy: -147.782 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: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1443.657069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.657069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.657069 (E_RNA) where: Base-Base interactions energy: -868.581 where: short stacking energy: -428.666 Base-Backbone interact. energy: -2.090 local terms energy: -572.986052 where: bonds (distance) C4'-P energy: -131.632 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -132.970 flat angles P-C4'-P energy: -84.802 tors. eta vs tors. theta energy: -72.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1210.586474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.586474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.586474 (E_RNA) where: Base-Base interactions energy: -646.704 where: short stacking energy: -339.447 Base-Backbone interact. energy: -0.468 local terms energy: -563.414000 where: bonds (distance) C4'-P energy: -125.959 bonds (distance) P-C4' energy: -161.586 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -93.437 tors. eta vs tors. theta energy: -22.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -938.919854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.919854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.919854 (E_RNA) where: Base-Base interactions energy: -457.896 where: short stacking energy: -267.283 Base-Backbone interact. energy: 0.242 local terms energy: -481.265416 where: bonds (distance) C4'-P energy: -118.672 bonds (distance) P-C4' energy: -143.089 flat angles C4'-P-C4' energy: -124.883 flat angles P-C4'-P energy: -76.323 tors. eta vs tors. theta energy: -18.298 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: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3133.375303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.375303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.375303 (E_RNA) where: Base-Base interactions energy: -2187.556 where: short stacking energy: -940.328 Base-Backbone interact. energy: -6.260 local terms energy: -939.558648 where: bonds (distance) C4'-P energy: -158.936 bonds (distance) P-C4' energy: -182.244 flat angles C4'-P-C4' energy: -195.776 flat angles P-C4'-P energy: -131.711 tors. eta vs tors. theta energy: -270.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2941.814283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.814283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.814283 (E_RNA) where: Base-Base interactions energy: -2003.229 where: short stacking energy: -907.624 Base-Backbone interact. energy: -3.057 local terms energy: -935.528432 where: bonds (distance) C4'-P energy: -161.570 bonds (distance) P-C4' energy: -174.554 flat angles C4'-P-C4' energy: -197.622 flat angles P-C4'-P energy: -136.294 tors. eta vs tors. theta energy: -265.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2873.585640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.585640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.585640 (E_RNA) where: Base-Base interactions energy: -1962.533 where: short stacking energy: -844.976 Base-Backbone interact. energy: -4.195 local terms energy: -906.857200 where: bonds (distance) C4'-P energy: -166.267 bonds (distance) P-C4' energy: -177.678 flat angles C4'-P-C4' energy: -196.503 flat angles P-C4'-P energy: -129.426 tors. eta vs tors. theta energy: -236.984 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: 386 Temperature: 1.050000 Total energy: -2732.827583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.827583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.827583 (E_RNA) where: Base-Base interactions energy: -1892.844 where: short stacking energy: -824.140 Base-Backbone interact. energy: -0.274 local terms energy: -839.709622 where: bonds (distance) C4'-P energy: -166.640 bonds (distance) P-C4' energy: -167.891 flat angles C4'-P-C4' energy: -179.778 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -208.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2511.038460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.038460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.038460 (E_RNA) where: Base-Base interactions energy: -1667.469 where: short stacking energy: -760.130 Base-Backbone interact. energy: -1.739 local terms energy: -841.830438 where: bonds (distance) C4'-P energy: -162.401 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -193.821 flat angles P-C4'-P energy: -119.481 tors. eta vs tors. theta energy: -201.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2271.668748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.668748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.668748 (E_RNA) where: Base-Base interactions energy: -1473.955 where: short stacking energy: -665.716 Base-Backbone interact. energy: -0.041 local terms energy: -797.672841 where: bonds (distance) C4'-P energy: -166.461 bonds (distance) P-C4' energy: -156.173 flat angles C4'-P-C4' energy: -181.903 flat angles P-C4'-P energy: -108.919 tors. eta vs tors. theta energy: -184.217 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: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2221.012957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.012957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.012957 (E_RNA) where: Base-Base interactions energy: -1475.289 where: short stacking energy: -613.509 Base-Backbone interact. energy: 0.974 local terms energy: -746.697785 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -167.042 flat angles C4'-P-C4' energy: -175.668 flat angles P-C4'-P energy: -98.283 tors. eta vs tors. theta energy: -160.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1483.149610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.149610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.149610 (E_RNA) where: Base-Base interactions energy: -851.832 where: short stacking energy: -408.430 Base-Backbone interact. energy: 4.613 local terms energy: -635.930984 where: bonds (distance) C4'-P energy: -159.620 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -159.579 flat angles P-C4'-P energy: -89.030 tors. eta vs tors. theta energy: -77.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1227.995832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.995832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.995832 (E_RNA) where: Base-Base interactions energy: -677.861 where: short stacking energy: -376.923 Base-Backbone interact. energy: 9.017 local terms energy: -559.152116 where: bonds (distance) C4'-P energy: -126.503 bonds (distance) P-C4' energy: -167.141 flat angles C4'-P-C4' energy: -135.814 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -43.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -885.126590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.126590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.126590 (E_RNA) where: Base-Base interactions energy: -429.175 where: short stacking energy: -244.552 Base-Backbone interact. energy: 6.295 local terms energy: -462.246832 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: 13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3160.724207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.724207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.724207 (E_RNA) where: Base-Base interactions energy: -2188.902 where: short stacking energy: -947.308 Base-Backbone interact. energy: 2.620 local terms energy: -974.441942 where: bonds (distance) C4'-P energy: -181.073 bonds (distance) P-C4' energy: -173.866 flat angles C4'-P-C4' energy: -206.108 flat angles P-C4'-P energy: -145.460 tors. eta vs tors. theta energy: -267.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2934.940766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.940766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.940766 (E_RNA) where: Base-Base interactions energy: -2007.251 where: short stacking energy: -918.582 Base-Backbone interact. energy: -1.316 local terms energy: -926.373531 where: bonds (distance) C4'-P energy: -189.230 bonds (distance) P-C4' energy: -151.429 flat angles C4'-P-C4' energy: -180.705 flat angles P-C4'-P energy: -137.958 tors. eta vs tors. theta energy: -267.050 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: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2849.431187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.431187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.431187 (E_RNA) where: Base-Base interactions energy: -1933.256 where: short stacking energy: -875.838 Base-Backbone interact. energy: -0.274 local terms energy: -915.901509 where: bonds (distance) C4'-P energy: -166.423 bonds (distance) P-C4' energy: -183.502 flat angles C4'-P-C4' energy: -202.319 flat angles P-C4'-P energy: -128.683 tors. eta vs tors. theta energy: -234.973 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: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2767.518356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.518356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.518356 (E_RNA) where: Base-Base interactions energy: -1882.193 where: short stacking energy: -802.610 Base-Backbone interact. energy: 1.259 local terms energy: -886.584253 where: bonds (distance) C4'-P energy: -191.068 bonds (distance) P-C4' energy: -168.751 flat angles C4'-P-C4' energy: -183.374 flat angles P-C4'-P energy: -128.415 tors. eta vs tors. theta energy: -214.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2491.493332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.493332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.493332 (E_RNA) where: Base-Base interactions energy: -1654.507 where: short stacking energy: -761.560 Base-Backbone interact. energy: -4.519 local terms energy: -832.468183 where: bonds (distance) C4'-P energy: -154.209 bonds (distance) P-C4' energy: -170.932 flat angles C4'-P-C4' energy: -181.943 flat angles P-C4'-P energy: -130.153 tors. eta vs tors. theta energy: -195.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2267.636754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.636754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.636754 (E_RNA) where: Base-Base interactions energy: -1516.094 where: short stacking energy: -689.823 Base-Backbone interact. energy: 3.903 local terms energy: -755.445840 where: bonds (distance) C4'-P energy: -155.163 bonds (distance) P-C4' energy: -139.481 flat angles C4'-P-C4' energy: -171.907 flat angles P-C4'-P energy: -118.384 tors. eta vs tors. theta energy: -170.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2197.698101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.698101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.698101 (E_RNA) where: Base-Base interactions energy: -1472.384 where: short stacking energy: -636.071 Base-Backbone interact. energy: -3.560 local terms energy: -721.753422 where: bonds (distance) C4'-P energy: -155.035 bonds (distance) P-C4' energy: -147.013 flat angles C4'-P-C4' energy: -157.590 flat angles P-C4'-P energy: -113.834 tors. eta vs tors. theta energy: -148.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1505.377582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.377582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.377582 (E_RNA) where: Base-Base interactions energy: -900.422 where: short stacking energy: -423.402 Base-Backbone interact. energy: 1.823 local terms energy: -606.779254 where: bonds (distance) C4'-P energy: -140.730 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -93.142 tors. eta vs tors. theta energy: -72.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1206.992728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.992728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.992728 (E_RNA) where: Base-Base interactions energy: -660.159 where: short stacking energy: -347.403 Base-Backbone interact. energy: 3.510 local terms energy: -550.343876 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -151.227 flat angles P-C4'-P energy: -109.354 tors. eta vs tors. theta energy: -29.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -907.405121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.405121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.405121 (E_RNA) where: Base-Base interactions energy: -425.765 where: short stacking energy: -276.583 Base-Backbone interact. energy: 0.497 local terms energy: -482.137770 where: bonds (distance) C4'-P energy: -135.187 bonds (distance) P-C4' energy: -135.645 flat angles C4'-P-C4' energy: -130.078 flat angles P-C4'-P energy: -82.813 tors. eta vs tors. theta energy: 1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3205.626467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.626467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.626467 (E_RNA) where: Base-Base interactions energy: -2232.695 where: short stacking energy: -971.956 Base-Backbone interact. energy: -0.837 local terms energy: -972.094336 where: bonds (distance) C4'-P energy: -185.081 bonds (distance) P-C4' energy: -189.046 flat angles C4'-P-C4' energy: -191.393 flat angles P-C4'-P energy: -139.110 tors. eta vs tors. theta energy: -267.465 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: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2928.292809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.292809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.292809 (E_RNA) where: Base-Base interactions energy: -1965.093 where: short stacking energy: -851.579 Base-Backbone interact. energy: -0.769 local terms energy: -962.430189 where: bonds (distance) C4'-P energy: -178.802 bonds (distance) P-C4' energy: -176.886 flat angles C4'-P-C4' energy: -198.496 flat angles P-C4'-P energy: -141.029 tors. eta vs tors. theta energy: -267.216 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: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2829.038363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.038363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.038363 (E_RNA) where: Base-Base interactions energy: -1932.706 where: short stacking energy: -846.863 Base-Backbone interact. energy: -3.881 local terms energy: -892.450724 where: bonds (distance) C4'-P energy: -154.136 bonds (distance) P-C4' energy: -181.393 flat angles C4'-P-C4' energy: -197.667 flat angles P-C4'-P energy: -138.303 tors. eta vs tors. theta energy: -220.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2777.479165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.479165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.479165 (E_RNA) where: Base-Base interactions energy: -1928.812 where: short stacking energy: -863.580 Base-Backbone interact. energy: 5.062 local terms energy: -853.728839 where: bonds (distance) C4'-P energy: -174.236 bonds (distance) P-C4' energy: -164.600 flat angles C4'-P-C4' energy: -179.044 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -229.184 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: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2540.816924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.816924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.816924 (E_RNA) where: Base-Base interactions energy: -1714.249 where: short stacking energy: -786.046 Base-Backbone interact. energy: -1.583 local terms energy: -824.984687 where: bonds (distance) C4'-P energy: -161.884 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -191.185 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -215.146 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: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2255.194090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.194090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.194090 (E_RNA) where: Base-Base interactions energy: -1490.539 where: short stacking energy: -652.851 Base-Backbone interact. energy: 0.404 local terms energy: -765.059342 where: bonds (distance) C4'-P energy: -160.046 bonds (distance) P-C4' energy: -154.237 flat angles C4'-P-C4' energy: -184.198 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -160.562 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: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2247.531995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.531995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.531995 (E_RNA) where: Base-Base interactions energy: -1502.603 where: short stacking energy: -627.991 Base-Backbone interact. energy: 0.468 local terms energy: -745.397475 where: bonds (distance) C4'-P energy: -135.141 bonds (distance) P-C4' energy: -162.460 flat angles C4'-P-C4' energy: -176.195 flat angles P-C4'-P energy: -98.581 tors. eta vs tors. theta energy: -173.020 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: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1424.921367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.921367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.921367 (E_RNA) where: Base-Base interactions energy: -831.259 where: short stacking energy: -395.650 Base-Backbone interact. energy: 5.616 local terms energy: -599.277848 where: bonds (distance) C4'-P energy: -133.950 bonds (distance) P-C4' energy: -160.430 flat angles C4'-P-C4' energy: -141.877 flat angles P-C4'-P energy: -117.331 tors. eta vs tors. theta energy: -45.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1215.627512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.627512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.627512 (E_RNA) where: Base-Base interactions energy: -667.415 where: short stacking energy: -343.950 Base-Backbone interact. energy: 8.029 local terms energy: -556.241899 where: bonds (distance) C4'-P energy: -121.050 bonds (distance) P-C4' energy: -154.406 flat angles C4'-P-C4' energy: -140.029 flat angles P-C4'-P energy: -101.891 tors. eta vs tors. theta energy: -38.866 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: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -919.845346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.845346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.845346 (E_RNA) where: Base-Base interactions energy: -474.555 where: short stacking energy: -292.172 Base-Backbone interact. energy: 1.704 local terms energy: -446.994123 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -120.735 flat angles C4'-P-C4' energy: -143.026 flat angles P-C4'-P energy: -70.081 tors. eta vs tors. theta energy: 6.726 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: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3139.858845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.858845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.858845 (E_RNA) where: Base-Base interactions energy: -2167.085 where: short stacking energy: -937.280 Base-Backbone interact. energy: 7.366 local terms energy: -980.139009 where: bonds (distance) C4'-P energy: -188.876 bonds (distance) P-C4' energy: -178.849 flat angles C4'-P-C4' energy: -212.208 flat angles P-C4'-P energy: -135.749 tors. eta vs tors. theta energy: -264.456 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: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2935.296331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.296331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.296331 (E_RNA) where: Base-Base interactions energy: -1992.895 where: short stacking energy: -909.110 Base-Backbone interact. energy: 0.515 local terms energy: -942.916556 where: bonds (distance) C4'-P energy: -156.604 bonds (distance) P-C4' energy: -180.291 flat angles C4'-P-C4' energy: -198.438 flat angles P-C4'-P energy: -138.550 tors. eta vs tors. theta energy: -269.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2824.014375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.014375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.014375 (E_RNA) where: Base-Base interactions energy: -1957.857 where: short stacking energy: -896.607 Base-Backbone interact. energy: -3.611 local terms energy: -862.546041 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -150.535 flat angles C4'-P-C4' energy: -186.098 flat angles P-C4'-P energy: -128.384 tors. eta vs tors. theta energy: -232.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2765.163299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.163299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.163299 (E_RNA) where: Base-Base interactions energy: -1885.526 where: short stacking energy: -854.110 Base-Backbone interact. energy: -0.394 local terms energy: -879.242899 where: bonds (distance) C4'-P energy: -166.519 bonds (distance) P-C4' energy: -157.063 flat angles C4'-P-C4' energy: -195.278 flat angles P-C4'-P energy: -119.310 tors. eta vs tors. theta energy: -241.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2518.232813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.232813 (E_RNA) where: Base-Base interactions energy: -1702.506 where: short stacking energy: -737.784 Base-Backbone interact. energy: 1.330 local terms energy: -817.057119 where: bonds (distance) C4'-P energy: -159.939 bonds (distance) P-C4' energy: -155.072 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -119.708 tors. eta vs tors. theta energy: -207.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2345.407232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.407232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.407232 (E_RNA) where: Base-Base interactions energy: -1598.407 where: short stacking energy: -670.673 Base-Backbone interact. energy: -3.085 local terms energy: -743.915456 where: bonds (distance) C4'-P energy: -134.507 bonds (distance) P-C4' energy: -167.098 flat angles C4'-P-C4' energy: -164.243 flat angles P-C4'-P energy: -107.564 tors. eta vs tors. theta energy: -170.504 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: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2146.390438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.390438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.390438 (E_RNA) where: Base-Base interactions energy: -1434.633 where: short stacking energy: -619.879 Base-Backbone interact. energy: -2.785 local terms energy: -708.971944 where: bonds (distance) C4'-P energy: -165.265 bonds (distance) P-C4' energy: -140.471 flat angles C4'-P-C4' energy: -155.435 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -157.706 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: 389 Temperature: 1.250000 Total energy: -1379.554610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.554610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.554610 (E_RNA) where: Base-Base interactions energy: -804.723 where: short stacking energy: -413.742 Base-Backbone interact. energy: -3.461 local terms energy: -571.370817 where: bonds (distance) C4'-P energy: -140.371 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -77.747 tors. eta vs tors. theta energy: -54.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1156.019514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.019514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.019514 (E_RNA) where: Base-Base interactions energy: -636.427 where: short stacking energy: -320.030 Base-Backbone interact. energy: 1.439 local terms energy: -521.032040 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -152.276 flat angles C4'-P-C4' energy: -138.413 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -23.360 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: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -935.449645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.449645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.449645 (E_RNA) where: Base-Base interactions energy: -391.971 where: short stacking energy: -250.314 Base-Backbone interact. energy: 1.402 local terms energy: -544.880636 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -166.559 flat angles C4'-P-C4' energy: -137.560 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: 7.782 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: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3146.555672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.555672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.555672 (E_RNA) where: Base-Base interactions energy: -2165.569 where: short stacking energy: -955.363 Base-Backbone interact. energy: -2.731 local terms energy: -978.255832 where: bonds (distance) C4'-P energy: -173.981 bonds (distance) P-C4' energy: -185.190 flat angles C4'-P-C4' energy: -207.456 flat angles P-C4'-P energy: -139.872 tors. eta vs tors. theta energy: -271.756 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: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2947.112914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.112914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.112914 (E_RNA) where: Base-Base interactions energy: -2049.309 where: short stacking energy: -888.754 Base-Backbone interact. energy: -2.079 local terms energy: -895.724390 where: bonds (distance) C4'-P energy: -132.051 bonds (distance) P-C4' energy: -166.145 flat angles C4'-P-C4' energy: -203.486 flat angles P-C4'-P energy: -125.865 tors. eta vs tors. theta energy: -268.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2844.719892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.719892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.719892 (E_RNA) where: Base-Base interactions energy: -1923.183 where: short stacking energy: -868.656 Base-Backbone interact. energy: -3.072 local terms energy: -918.464006 where: bonds (distance) C4'-P energy: -162.538 bonds (distance) P-C4' energy: -171.391 flat angles C4'-P-C4' energy: -193.400 flat angles P-C4'-P energy: -131.056 tors. eta vs tors. theta energy: -260.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2717.152008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.152008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.152008 (E_RNA) where: Base-Base interactions energy: -1841.384 where: short stacking energy: -793.120 Base-Backbone interact. energy: -1.507 local terms energy: -874.260855 where: bonds (distance) C4'-P energy: -175.586 bonds (distance) P-C4' energy: -149.534 flat angles C4'-P-C4' energy: -185.710 flat angles P-C4'-P energy: -131.394 tors. eta vs tors. theta energy: -232.037 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: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2478.191654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.191654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.191654 (E_RNA) where: Base-Base interactions energy: -1699.462 where: short stacking energy: -752.198 Base-Backbone interact. energy: 3.096 local terms energy: -781.825161 where: bonds (distance) C4'-P energy: -148.725 bonds (distance) P-C4' energy: -144.198 flat angles C4'-P-C4' energy: -176.098 flat angles P-C4'-P energy: -118.242 tors. eta vs tors. theta energy: -194.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2325.131443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.131443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.131443 (E_RNA) where: Base-Base interactions energy: -1601.640 where: short stacking energy: -702.649 Base-Backbone interact. energy: -1.079 local terms energy: -722.413064 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -165.498 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -157.496 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: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2091.919459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.919459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.919459 (E_RNA) where: Base-Base interactions energy: -1391.657 where: short stacking energy: -603.951 Base-Backbone interact. energy: 5.382 local terms energy: -705.644494 where: bonds (distance) C4'-P energy: -147.877 bonds (distance) P-C4' energy: -150.554 flat angles C4'-P-C4' energy: -172.861 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -141.412 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: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1480.013477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.013477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.013477 (E_RNA) where: Base-Base interactions energy: -874.596 where: short stacking energy: -419.219 Base-Backbone interact. energy: 6.451 local terms energy: -611.868561 where: bonds (distance) C4'-P energy: -163.945 bonds (distance) P-C4' energy: -146.396 flat angles C4'-P-C4' energy: -148.413 flat angles P-C4'-P energy: -97.868 tors. eta vs tors. theta energy: -55.246 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: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1290.460393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.460393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.460393 (E_RNA) where: Base-Base interactions energy: -780.907 where: short stacking energy: -360.384 Base-Backbone interact. energy: -0.615 local terms energy: -508.938427 where: bonds (distance) C4'-P energy: -141.743 bonds (distance) P-C4' energy: -134.024 flat angles C4'-P-C4' energy: -133.019 flat angles P-C4'-P energy: -88.225 tors. eta vs tors. theta energy: -11.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -899.163811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.163811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.163811 (E_RNA) where: Base-Base interactions energy: -434.718 where: short stacking energy: -275.053 Base-Backbone interact. energy: 1.882 local terms energy: -466.327768 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -138.891 flat angles C4'-P-C4' energy: -108.791 flat angles P-C4'-P energy: -85.272 tors. eta vs tors. theta energy: 9.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3143.982184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.982184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.982184 (E_RNA) where: Base-Base interactions energy: -2171.493 where: short stacking energy: -927.836 Base-Backbone interact. energy: 0.378 local terms energy: -972.866793 where: bonds (distance) C4'-P energy: -180.163 bonds (distance) P-C4' energy: -174.917 flat angles C4'-P-C4' energy: -208.035 flat angles P-C4'-P energy: -138.311 tors. eta vs tors. theta energy: -271.442 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: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2964.219921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.219921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.219921 (E_RNA) where: Base-Base interactions energy: -2010.580 where: short stacking energy: -886.358 Base-Backbone interact. energy: -3.761 local terms energy: -949.879482 where: bonds (distance) C4'-P energy: -161.213 bonds (distance) P-C4' energy: -188.647 flat angles C4'-P-C4' energy: -200.054 flat angles P-C4'-P energy: -128.854 tors. eta vs tors. theta energy: -271.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2841.462070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.462070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.462070 (E_RNA) where: Base-Base interactions energy: -1921.430 where: short stacking energy: -856.589 Base-Backbone interact. energy: 4.748 local terms energy: -924.780370 where: bonds (distance) C4'-P energy: -183.554 bonds (distance) P-C4' energy: -177.988 flat angles C4'-P-C4' energy: -189.527 flat angles P-C4'-P energy: -126.803 tors. eta vs tors. theta energy: -246.908 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: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2751.744759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.744759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.744759 (E_RNA) where: Base-Base interactions energy: -1903.511 where: short stacking energy: -830.957 Base-Backbone interact. energy: -1.268 local terms energy: -846.965822 where: bonds (distance) C4'-P energy: -155.114 bonds (distance) P-C4' energy: -161.365 flat angles C4'-P-C4' energy: -189.392 flat angles P-C4'-P energy: -122.587 tors. eta vs tors. theta energy: -218.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2572.897966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.897966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.897966 (E_RNA) where: Base-Base interactions energy: -1792.590 where: short stacking energy: -787.891 Base-Backbone interact. energy: 2.018 local terms energy: -782.326168 where: bonds (distance) C4'-P energy: -155.327 bonds (distance) P-C4' energy: -154.684 flat angles C4'-P-C4' energy: -163.199 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -205.273 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: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2296.774394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.774394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.774394 (E_RNA) where: Base-Base interactions energy: -1523.458 where: short stacking energy: -662.828 Base-Backbone interact. energy: -4.102 local terms energy: -769.215269 where: bonds (distance) C4'-P energy: -156.805 bonds (distance) P-C4' energy: -163.317 flat angles C4'-P-C4' energy: -187.390 flat angles P-C4'-P energy: -107.426 tors. eta vs tors. theta energy: -154.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2067.610577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.610577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.610577 (E_RNA) where: Base-Base interactions energy: -1368.864 where: short stacking energy: -576.345 Base-Backbone interact. energy: -0.001 local terms energy: -698.745719 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -177.664 flat angles P-C4'-P energy: -110.688 tors. eta vs tors. theta energy: -130.682 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: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1530.872239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.872239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.872239 (E_RNA) where: Base-Base interactions energy: -909.348 where: short stacking energy: -446.805 Base-Backbone interact. energy: 1.039 local terms energy: -622.563387 where: bonds (distance) C4'-P energy: -140.839 bonds (distance) P-C4' energy: -162.047 flat angles C4'-P-C4' energy: -160.432 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -82.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1266.726433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.726433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.726433 (E_RNA) where: Base-Base interactions energy: -704.576 where: short stacking energy: -359.234 Base-Backbone interact. energy: 1.771 local terms energy: -563.922088 where: bonds (distance) C4'-P energy: -155.655 bonds (distance) P-C4' energy: -156.541 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -77.020 tors. eta vs tors. theta energy: -37.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -970.262967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.262967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.262967 (E_RNA) where: Base-Base interactions energy: -474.528 where: short stacking energy: -277.487 Base-Backbone interact. energy: -4.157 local terms energy: -491.578373 where: bonds (distance) C4'-P energy: -126.520 bonds (distance) P-C4' energy: -152.472 flat angles C4'-P-C4' energy: -126.201 flat angles P-C4'-P energy: -78.381 tors. eta vs tors. theta energy: -8.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3168.482361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.482361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.482361 (E_RNA) where: Base-Base interactions energy: -2186.343 where: short stacking energy: -947.315 Base-Backbone interact. energy: -1.962 local terms energy: -980.177726 where: bonds (distance) C4'-P energy: -183.317 bonds (distance) P-C4' energy: -189.536 flat angles C4'-P-C4' energy: -198.104 flat angles P-C4'-P energy: -131.913 tors. eta vs tors. theta energy: -277.308 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: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2983.719453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.719453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.719453 (E_RNA) where: Base-Base interactions energy: -2042.006 where: short stacking energy: -904.455 Base-Backbone interact. energy: -2.675 local terms energy: -939.038098 where: bonds (distance) C4'-P energy: -176.254 bonds (distance) P-C4' energy: -171.500 flat angles C4'-P-C4' energy: -201.677 flat angles P-C4'-P energy: -133.241 tors. eta vs tors. theta energy: -256.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2790.312079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.312079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.312079 (E_RNA) where: Base-Base interactions energy: -1895.357 where: short stacking energy: -849.197 Base-Backbone interact. energy: -1.704 local terms energy: -893.251180 where: bonds (distance) C4'-P energy: -174.558 bonds (distance) P-C4' energy: -163.886 flat angles C4'-P-C4' energy: -192.518 flat angles P-C4'-P energy: -121.787 tors. eta vs tors. theta energy: -240.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2756.989697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.989697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.989697 (E_RNA) where: Base-Base interactions energy: -1905.002 where: short stacking energy: -820.890 Base-Backbone interact. energy: -1.450 local terms energy: -850.537710 where: bonds (distance) C4'-P energy: -156.473 bonds (distance) P-C4' energy: -177.903 flat angles C4'-P-C4' energy: -195.876 flat angles P-C4'-P energy: -112.851 tors. eta vs tors. theta energy: -207.436 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: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2530.477615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.477615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.477615 (E_RNA) where: Base-Base interactions energy: -1699.463 where: short stacking energy: -770.555 Base-Backbone interact. energy: -4.012 local terms energy: -827.002952 where: bonds (distance) C4'-P energy: -177.379 bonds (distance) P-C4' energy: -164.269 flat angles C4'-P-C4' energy: -162.470 flat angles P-C4'-P energy: -106.079 tors. eta vs tors. theta energy: -216.807 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: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2243.232353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.232353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.232353 (E_RNA) where: Base-Base interactions energy: -1523.491 where: short stacking energy: -662.870 Base-Backbone interact. energy: -0.567 local terms energy: -719.174766 where: bonds (distance) C4'-P energy: -153.652 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -153.819 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -157.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2130.826274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.826274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.826274 (E_RNA) where: Base-Base interactions energy: -1435.998 where: short stacking energy: -630.562 Base-Backbone interact. energy: -0.683 local terms energy: -694.145589 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -156.011 flat angles C4'-P-C4' energy: -146.288 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -153.038 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: 392 Temperature: 1.250000 Total energy: -1480.205190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.205190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.205190 (E_RNA) where: Base-Base interactions energy: -878.753 where: short stacking energy: -433.908 Base-Backbone interact. energy: 1.392 local terms energy: -602.843454 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -145.865 flat angles P-C4'-P energy: -77.496 tors. eta vs tors. theta energy: -75.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1212.587967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.587967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.587967 (E_RNA) where: Base-Base interactions energy: -686.436 where: short stacking energy: -371.726 Base-Backbone interact. energy: -3.498 local terms energy: -522.654542 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -134.915 flat angles P-C4'-P energy: -82.737 tors. eta vs tors. theta energy: -25.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1053.169973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.169973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.169973 (E_RNA) where: Base-Base interactions energy: -526.811 where: short stacking energy: -271.635 Base-Backbone interact. energy: -0.110 local terms energy: -526.248794 where: bonds (distance) C4'-P energy: -143.486 bonds (distance) P-C4' energy: -156.303 flat angles C4'-P-C4' energy: -132.668 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -19.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3171.941643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.941643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.941643 (E_RNA) where: Base-Base interactions energy: -2204.077 where: short stacking energy: -970.800 Base-Backbone interact. energy: -4.902 local terms energy: -962.963128 where: bonds (distance) C4'-P energy: -172.544 bonds (distance) P-C4' energy: -173.594 flat angles C4'-P-C4' energy: -197.923 flat angles P-C4'-P energy: -133.527 tors. eta vs tors. theta energy: -285.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2965.570091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.570091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.570091 (E_RNA) where: Base-Base interactions energy: -2017.339 where: short stacking energy: -891.819 Base-Backbone interact. energy: -2.699 local terms energy: -945.531871 where: bonds (distance) C4'-P energy: -182.021 bonds (distance) P-C4' energy: -174.397 flat angles C4'-P-C4' energy: -206.892 flat angles P-C4'-P energy: -128.291 tors. eta vs tors. theta energy: -253.930 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: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2827.962653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.962653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.962653 (E_RNA) where: Base-Base interactions energy: -1920.263 where: short stacking energy: -858.714 Base-Backbone interact. energy: 1.224 local terms energy: -908.923628 where: bonds (distance) C4'-P energy: -166.414 bonds (distance) P-C4' energy: -173.825 flat angles C4'-P-C4' energy: -197.418 flat angles P-C4'-P energy: -124.408 tors. eta vs tors. theta energy: -246.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2781.611039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.611039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.611039 (E_RNA) where: Base-Base interactions energy: -1899.906 where: short stacking energy: -802.130 Base-Backbone interact. energy: -3.934 local terms energy: -877.770673 where: bonds (distance) C4'-P energy: -176.607 bonds (distance) P-C4' energy: -173.310 flat angles C4'-P-C4' energy: -178.634 flat angles P-C4'-P energy: -120.702 tors. eta vs tors. theta energy: -228.518 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: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2532.276886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.276886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.276886 (E_RNA) where: Base-Base interactions energy: -1727.322 where: short stacking energy: -805.615 Base-Backbone interact. energy: -1.602 local terms energy: -803.352674 where: bonds (distance) C4'-P energy: -151.519 bonds (distance) P-C4' energy: -157.097 flat angles C4'-P-C4' energy: -172.723 flat angles P-C4'-P energy: -106.886 tors. eta vs tors. theta energy: -215.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2296.871408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.871408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.871408 (E_RNA) where: Base-Base interactions energy: -1550.007 where: short stacking energy: -676.691 Base-Backbone interact. energy: -1.728 local terms energy: -745.136442 where: bonds (distance) C4'-P energy: -156.918 bonds (distance) P-C4' energy: -136.337 flat angles C4'-P-C4' energy: -179.817 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -171.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2122.732496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.732496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.732496 (E_RNA) where: Base-Base interactions energy: -1409.646 where: short stacking energy: -646.685 Base-Backbone interact. energy: -3.781 local terms energy: -709.305832 where: bonds (distance) C4'-P energy: -150.817 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -115.573 tors. eta vs tors. theta energy: -151.391 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: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1450.589991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.589991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.589991 (E_RNA) where: Base-Base interactions energy: -888.081 where: short stacking energy: -429.563 Base-Backbone interact. energy: 2.588 local terms energy: -565.096551 where: bonds (distance) C4'-P energy: -164.139 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -131.741 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -60.817 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: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1154.155104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.155104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.155104 (E_RNA) where: Base-Base interactions energy: -632.666 where: short stacking energy: -344.793 Base-Backbone interact. energy: -2.322 local terms energy: -519.167128 where: bonds (distance) C4'-P energy: -127.596 bonds (distance) P-C4' energy: -158.279 flat angles C4'-P-C4' energy: -122.861 flat angles P-C4'-P energy: -89.592 tors. eta vs tors. theta energy: -20.838 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: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -962.754288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.754288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.754288 (E_RNA) where: Base-Base interactions energy: -523.980 where: short stacking energy: -299.085 Base-Backbone interact. energy: -1.253 local terms energy: -437.521876 where: bonds (distance) C4'-P energy: -144.693 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -127.335 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: 27.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3179.518837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.518837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.518837 (E_RNA) where: Base-Base interactions energy: -2195.493 where: short stacking energy: -990.426 Base-Backbone interact. energy: -8.271 local terms energy: -975.755587 where: bonds (distance) C4'-P energy: -171.578 bonds (distance) P-C4' energy: -173.239 flat angles C4'-P-C4' energy: -198.957 flat angles P-C4'-P energy: -145.212 tors. eta vs tors. theta energy: -286.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2984.132833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.132833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.132833 (E_RNA) where: Base-Base interactions energy: -2041.398 where: short stacking energy: -921.622 Base-Backbone interact. energy: 0.840 local terms energy: -943.574445 where: bonds (distance) C4'-P energy: -175.366 bonds (distance) P-C4' energy: -169.020 flat angles C4'-P-C4' energy: -196.948 flat angles P-C4'-P energy: -140.834 tors. eta vs tors. theta energy: -261.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2871.908661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.908661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.908661 (E_RNA) where: Base-Base interactions energy: -1967.091 where: short stacking energy: -880.767 Base-Backbone interact. energy: -0.804 local terms energy: -904.013743 where: bonds (distance) C4'-P energy: -159.452 bonds (distance) P-C4' energy: -177.156 flat angles C4'-P-C4' energy: -206.293 flat angles P-C4'-P energy: -126.710 tors. eta vs tors. theta energy: -234.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2781.621669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.621669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.621669 (E_RNA) where: Base-Base interactions energy: -1938.492 where: short stacking energy: -828.565 Base-Backbone interact. energy: -2.581 local terms energy: -840.548763 where: bonds (distance) C4'-P energy: -167.377 bonds (distance) P-C4' energy: -161.619 flat angles C4'-P-C4' energy: -178.502 flat angles P-C4'-P energy: -118.170 tors. eta vs tors. theta energy: -214.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2504.530706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.530706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.530706 (E_RNA) where: Base-Base interactions energy: -1687.732 where: short stacking energy: -754.912 Base-Backbone interact. energy: 1.537 local terms energy: -818.335945 where: bonds (distance) C4'-P energy: -151.344 bonds (distance) P-C4' energy: -150.541 flat angles C4'-P-C4' energy: -194.180 flat angles P-C4'-P energy: -120.633 tors. eta vs tors. theta energy: -201.637 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: 394 Temperature: 1.150000 Total energy: -2397.182966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.182966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.182966 (E_RNA) where: Base-Base interactions energy: -1601.536 where: short stacking energy: -680.509 Base-Backbone interact. energy: -1.746 local terms energy: -793.900641 where: bonds (distance) C4'-P energy: -164.181 bonds (distance) P-C4' energy: -158.288 flat angles C4'-P-C4' energy: -189.545 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -175.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2149.300251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.300251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.300251 (E_RNA) where: Base-Base interactions energy: -1377.070 where: short stacking energy: -597.161 Base-Backbone interact. energy: -0.308 local terms energy: -771.922197 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -162.644 flat angles C4'-P-C4' energy: -164.949 flat angles P-C4'-P energy: -124.114 tors. eta vs tors. theta energy: -166.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1436.521671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.521671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.521671 (E_RNA) where: Base-Base interactions energy: -864.513 where: short stacking energy: -390.947 Base-Backbone interact. energy: -4.478 local terms energy: -567.530668 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -167.588 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -39.338 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: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1213.262150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.262150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.262150 (E_RNA) where: Base-Base interactions energy: -703.334 where: short stacking energy: -372.812 Base-Backbone interact. energy: 1.903 local terms energy: -511.831542 where: bonds (distance) C4'-P energy: -161.094 bonds (distance) P-C4' energy: -159.913 flat angles C4'-P-C4' energy: -108.832 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -30.954 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: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -984.925967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.925967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.925967 (E_RNA) where: Base-Base interactions energy: -482.686 where: short stacking energy: -241.086 Base-Backbone interact. energy: 1.566 local terms energy: -503.805600 where: bonds (distance) C4'-P energy: -126.621 bonds (distance) P-C4' energy: -178.115 flat angles C4'-P-C4' energy: -127.213 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: 4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3146.342912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.342912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.342912 (E_RNA) where: Base-Base interactions energy: -2158.550 where: short stacking energy: -974.809 Base-Backbone interact. energy: -5.628 local terms energy: -982.165020 where: bonds (distance) C4'-P energy: -186.869 bonds (distance) P-C4' energy: -174.007 flat angles C4'-P-C4' energy: -206.397 flat angles P-C4'-P energy: -143.773 tors. eta vs tors. theta energy: -271.120 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: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2953.149049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.149049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.149049 (E_RNA) where: Base-Base interactions energy: -2023.157 where: short stacking energy: -886.267 Base-Backbone interact. energy: -1.437 local terms energy: -928.555183 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -174.917 flat angles C4'-P-C4' energy: -183.536 flat angles P-C4'-P energy: -130.004 tors. eta vs tors. theta energy: -275.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2843.183064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.183064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.183064 (E_RNA) where: Base-Base interactions energy: -1949.409 where: short stacking energy: -869.643 Base-Backbone interact. energy: -2.805 local terms energy: -890.968489 where: bonds (distance) C4'-P energy: -165.984 bonds (distance) P-C4' energy: -177.768 flat angles C4'-P-C4' energy: -187.694 flat angles P-C4'-P energy: -102.004 tors. eta vs tors. theta energy: -257.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2797.451962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.451962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.451962 (E_RNA) where: Base-Base interactions energy: -1952.630 where: short stacking energy: -856.379 Base-Backbone interact. energy: -2.161 local terms energy: -842.660876 where: bonds (distance) C4'-P energy: -156.422 bonds (distance) P-C4' energy: -144.470 flat angles C4'-P-C4' energy: -200.459 flat angles P-C4'-P energy: -118.881 tors. eta vs tors. theta energy: -222.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2504.732003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.732003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.732003 (E_RNA) where: Base-Base interactions energy: -1684.395 where: short stacking energy: -768.479 Base-Backbone interact. energy: 0.941 local terms energy: -821.277722 where: bonds (distance) C4'-P energy: -145.197 bonds (distance) P-C4' energy: -154.368 flat angles C4'-P-C4' energy: -181.405 flat angles P-C4'-P energy: -130.912 tors. eta vs tors. theta energy: -209.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2357.476929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.476929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.476929 (E_RNA) where: Base-Base interactions energy: -1639.658 where: short stacking energy: -729.699 Base-Backbone interact. energy: 3.873 local terms energy: -721.691620 where: bonds (distance) C4'-P energy: -155.079 bonds (distance) P-C4' energy: -138.749 flat angles C4'-P-C4' energy: -174.358 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -180.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2151.526740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.526740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.526740 (E_RNA) where: Base-Base interactions energy: -1425.057 where: short stacking energy: -635.900 Base-Backbone interact. energy: 1.030 local terms energy: -727.499701 where: bonds (distance) C4'-P energy: -164.549 bonds (distance) P-C4' energy: -139.136 flat angles C4'-P-C4' energy: -158.500 flat angles P-C4'-P energy: -103.021 tors. eta vs tors. theta energy: -162.293 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: 395 Temperature: 1.250000 Total energy: -1369.372073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.372073 (E_RNA) where: Base-Base interactions energy: -803.105 where: short stacking energy: -369.705 Base-Backbone interact. energy: 0.596 local terms energy: -566.862610 where: bonds (distance) C4'-P energy: -153.409 bonds (distance) P-C4' energy: -136.510 flat angles C4'-P-C4' energy: -132.242 flat angles P-C4'-P energy: -85.349 tors. eta vs tors. theta energy: -59.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1199.837639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.837639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.837639 (E_RNA) where: Base-Base interactions energy: -690.815 where: short stacking energy: -340.403 Base-Backbone interact. energy: 1.232 local terms energy: -510.254902 where: bonds (distance) C4'-P energy: -120.571 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -134.689 flat angles P-C4'-P energy: -90.699 tors. eta vs tors. theta energy: -11.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -963.152173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.152173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.152173 (E_RNA) where: Base-Base interactions energy: -476.602 where: short stacking energy: -274.689 Base-Backbone interact. energy: 4.146 local terms energy: -490.696202 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -167.298 flat angles C4'-P-C4' energy: -117.800 flat angles P-C4'-P energy: -70.690 tors. eta vs tors. theta energy: 6.332 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: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3167.807105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.807105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.807105 (E_RNA) where: Base-Base interactions energy: -2218.506 where: short stacking energy: -972.832 Base-Backbone interact. energy: 0.689 local terms energy: -949.990630 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -181.563 flat angles C4'-P-C4' energy: -206.074 flat angles P-C4'-P energy: -125.429 tors. eta vs tors. theta energy: -286.722 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: 396 Temperature: 0.950000 Total energy: -2965.684160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.684160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.684160 (E_RNA) where: Base-Base interactions energy: -1988.884 where: short stacking energy: -872.996 Base-Backbone interact. energy: 2.865 local terms energy: -979.664794 where: bonds (distance) C4'-P energy: -176.867 bonds (distance) P-C4' energy: -186.099 flat angles C4'-P-C4' energy: -215.542 flat angles P-C4'-P energy: -133.909 tors. eta vs tors. theta energy: -267.249 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: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2867.995966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.995966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.995966 (E_RNA) where: Base-Base interactions energy: -1943.241 where: short stacking energy: -854.596 Base-Backbone interact. energy: -3.257 local terms energy: -921.498451 where: bonds (distance) C4'-P energy: -160.630 bonds (distance) P-C4' energy: -179.523 flat angles C4'-P-C4' energy: -194.939 flat angles P-C4'-P energy: -127.276 tors. eta vs tors. theta energy: -259.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2741.479140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.479140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.479140 (E_RNA) where: Base-Base interactions energy: -1865.371 where: short stacking energy: -832.719 Base-Backbone interact. energy: -2.082 local terms energy: -874.026162 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -165.636 flat angles C4'-P-C4' energy: -205.580 flat angles P-C4'-P energy: -128.511 tors. eta vs tors. theta energy: -228.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2532.090063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.090063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.090063 (E_RNA) where: Base-Base interactions energy: -1686.342 where: short stacking energy: -790.054 Base-Backbone interact. energy: -4.540 local terms energy: -841.208304 where: bonds (distance) C4'-P energy: -165.977 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -189.679 flat angles P-C4'-P energy: -126.386 tors. eta vs tors. theta energy: -208.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2331.368807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.368807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.368807 (E_RNA) where: Base-Base interactions energy: -1554.169 where: short stacking energy: -703.398 Base-Backbone interact. energy: 2.793 local terms energy: -779.992403 where: bonds (distance) C4'-P energy: -161.269 bonds (distance) P-C4' energy: -161.950 flat angles C4'-P-C4' energy: -169.545 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -185.390 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: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2153.569328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.569328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.569328 (E_RNA) where: Base-Base interactions energy: -1434.678 where: short stacking energy: -667.125 Base-Backbone interact. energy: -2.577 local terms energy: -716.314052 where: bonds (distance) C4'-P energy: -140.569 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -163.730 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -177.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1391.373299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.373299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.373299 (E_RNA) where: Base-Base interactions energy: -823.075 where: short stacking energy: -391.892 Base-Backbone interact. energy: -1.897 local terms energy: -566.401822 where: bonds (distance) C4'-P energy: -139.657 bonds (distance) P-C4' energy: -141.193 flat angles C4'-P-C4' energy: -156.997 flat angles P-C4'-P energy: -95.011 tors. eta vs tors. theta energy: -33.544 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: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1236.028759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.028759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.028759 (E_RNA) where: Base-Base interactions energy: -713.188 where: short stacking energy: -395.754 Base-Backbone interact. energy: 2.090 local terms energy: -524.930645 where: bonds (distance) C4'-P energy: -129.210 bonds (distance) P-C4' energy: -139.329 flat angles C4'-P-C4' energy: -126.870 flat angles P-C4'-P energy: -76.899 tors. eta vs tors. theta energy: -52.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -912.346605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.346605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.346605 (E_RNA) where: Base-Base interactions energy: -441.136 where: short stacking energy: -277.831 Base-Backbone interact. energy: -0.027 local terms energy: -471.183683 where: bonds (distance) C4'-P energy: -127.366 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -122.591 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: 1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3153.474856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.474856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.474856 (E_RNA) where: Base-Base interactions energy: -2161.472 where: short stacking energy: -945.777 Base-Backbone interact. energy: -2.013 local terms energy: -989.990355 where: bonds (distance) C4'-P energy: -179.459 bonds (distance) P-C4' energy: -184.669 flat angles C4'-P-C4' energy: -217.536 flat angles P-C4'-P energy: -134.787 tors. eta vs tors. theta energy: -273.540 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: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2987.921599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.921599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.921599 (E_RNA) where: Base-Base interactions energy: -2042.189 where: short stacking energy: -938.296 Base-Backbone interact. energy: 1.037 local terms energy: -946.770335 where: bonds (distance) C4'-P energy: -169.890 bonds (distance) P-C4' energy: -164.960 flat angles C4'-P-C4' energy: -199.778 flat angles P-C4'-P energy: -145.051 tors. eta vs tors. theta energy: -267.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2871.899419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.899419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.899419 (E_RNA) where: Base-Base interactions energy: -1919.265 where: short stacking energy: -895.861 Base-Backbone interact. energy: -0.730 local terms energy: -951.904158 where: bonds (distance) C4'-P energy: -166.570 bonds (distance) P-C4' energy: -191.054 flat angles C4'-P-C4' energy: -204.588 flat angles P-C4'-P energy: -125.964 tors. eta vs tors. theta energy: -263.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2779.303489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.303489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.303489 (E_RNA) where: Base-Base interactions energy: -1888.650 where: short stacking energy: -853.728 Base-Backbone interact. energy: 5.617 local terms energy: -896.270848 where: bonds (distance) C4'-P energy: -162.402 bonds (distance) P-C4' energy: -177.209 flat angles C4'-P-C4' energy: -191.453 flat angles P-C4'-P energy: -133.139 tors. eta vs tors. theta energy: -232.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2577.480960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.480960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.480960 (E_RNA) where: Base-Base interactions energy: -1735.657 where: short stacking energy: -800.084 Base-Backbone interact. energy: -0.857 local terms energy: -840.967077 where: bonds (distance) C4'-P energy: -165.095 bonds (distance) P-C4' energy: -167.507 flat angles C4'-P-C4' energy: -167.427 flat angles P-C4'-P energy: -124.202 tors. eta vs tors. theta energy: -216.736 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: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2277.232728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.232728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.232728 (E_RNA) where: Base-Base interactions energy: -1518.144 where: short stacking energy: -635.687 Base-Backbone interact. energy: -4.076 local terms energy: -755.012242 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -167.324 flat angles C4'-P-C4' energy: -164.946 flat angles P-C4'-P energy: -97.677 tors. eta vs tors. theta energy: -173.851 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: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2111.321402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.321402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.321402 (E_RNA) where: Base-Base interactions energy: -1400.706 where: short stacking energy: -589.948 Base-Backbone interact. energy: -3.084 local terms energy: -707.531206 where: bonds (distance) C4'-P energy: -149.957 bonds (distance) P-C4' energy: -162.980 flat angles C4'-P-C4' energy: -148.611 flat angles P-C4'-P energy: -101.609 tors. eta vs tors. theta energy: -144.374 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1338.514720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.514720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.514720 (E_RNA) where: Base-Base interactions energy: -795.257 where: short stacking energy: -397.343 Base-Backbone interact. energy: -2.124 local terms energy: -541.133657 where: bonds (distance) C4'-P energy: -140.339 bonds (distance) P-C4' energy: -131.208 flat angles C4'-P-C4' energy: -127.169 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -51.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1250.001249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.001249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.001249 (E_RNA) where: Base-Base interactions energy: -708.521 where: short stacking energy: -381.443 Base-Backbone interact. energy: -3.127 local terms energy: -538.352750 where: bonds (distance) C4'-P energy: -134.178 bonds (distance) P-C4' energy: -154.424 flat angles C4'-P-C4' energy: -138.764 flat angles P-C4'-P energy: -92.112 tors. eta vs tors. theta energy: -18.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -921.301808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.301808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.301808 (E_RNA) where: Base-Base interactions energy: -437.537 where: short stacking energy: -265.678 Base-Backbone interact. energy: 3.362 local terms energy: -487.126725 where: bonds (distance) C4'-P energy: -156.383 bonds (distance) P-C4' energy: -135.488 flat angles C4'-P-C4' energy: -109.978 flat angles P-C4'-P energy: -76.149 tors. eta vs tors. theta energy: -9.129 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3163.500874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.500874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.500874 (E_RNA) where: Base-Base interactions energy: -2194.267 where: short stacking energy: -962.692 Base-Backbone interact. energy: -4.216 local terms energy: -965.018593 where: bonds (distance) C4'-P energy: -170.750 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -217.464 flat angles P-C4'-P energy: -137.699 tors. eta vs tors. theta energy: -279.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2959.391354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.391354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.391354 (E_RNA) where: Base-Base interactions energy: -2026.140 where: short stacking energy: -904.803 Base-Backbone interact. energy: -2.302 local terms energy: -930.949557 where: bonds (distance) C4'-P energy: -163.422 bonds (distance) P-C4' energy: -177.425 flat angles C4'-P-C4' energy: -196.685 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -266.698 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: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2857.491746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.491746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.491746 (E_RNA) where: Base-Base interactions energy: -1894.757 where: short stacking energy: -863.096 Base-Backbone interact. energy: -1.656 local terms energy: -961.078150 where: bonds (distance) C4'-P energy: -180.961 bonds (distance) P-C4' energy: -185.338 flat angles C4'-P-C4' energy: -204.498 flat angles P-C4'-P energy: -134.659 tors. eta vs tors. theta energy: -255.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2750.834044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.834044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.834044 (E_RNA) where: Base-Base interactions energy: -1880.385 where: short stacking energy: -837.421 Base-Backbone interact. energy: -1.949 local terms energy: -868.499496 where: bonds (distance) C4'-P energy: -154.844 bonds (distance) P-C4' energy: -177.640 flat angles C4'-P-C4' energy: -190.286 flat angles P-C4'-P energy: -126.969 tors. eta vs tors. theta energy: -218.760 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2555.180044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.180044 (E_RNA) where: Base-Base interactions energy: -1715.009 where: short stacking energy: -798.290 Base-Backbone interact. energy: -2.563 local terms energy: -837.607601 where: bonds (distance) C4'-P energy: -145.856 bonds (distance) P-C4' energy: -168.015 flat angles C4'-P-C4' energy: -199.297 flat angles P-C4'-P energy: -107.896 tors. eta vs tors. theta energy: -216.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2333.728399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.728399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.728399 (E_RNA) where: Base-Base interactions energy: -1554.935 where: short stacking energy: -712.313 Base-Backbone interact. energy: 0.512 local terms energy: -779.305717 where: bonds (distance) C4'-P energy: -168.343 bonds (distance) P-C4' energy: -135.534 flat angles C4'-P-C4' energy: -189.134 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -179.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2176.560706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.560706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.560706 (E_RNA) where: Base-Base interactions energy: -1452.929 where: short stacking energy: -697.184 Base-Backbone interact. energy: 0.614 local terms energy: -724.246259 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -168.464 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -166.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1374.288062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.288062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.288062 (E_RNA) where: Base-Base interactions energy: -814.413 where: short stacking energy: -414.562 Base-Backbone interact. energy: -0.320 local terms energy: -559.554487 where: bonds (distance) C4'-P energy: -143.134 bonds (distance) P-C4' energy: -164.239 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -38.959 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: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1155.732603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.732603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.732603 (E_RNA) where: Base-Base interactions energy: -649.918 where: short stacking energy: -342.004 Base-Backbone interact. energy: -1.566 local terms energy: -504.248371 where: bonds (distance) C4'-P energy: -134.929 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -116.062 flat angles P-C4'-P energy: -77.388 tors. eta vs tors. theta energy: -39.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -884.223806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.223806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.223806 (E_RNA) where: Base-Base interactions energy: -426.708 where: short stacking energy: -265.621 Base-Backbone interact. energy: 0.173 local terms energy: -457.688273 where: bonds (distance) C4'-P energy: -146.738 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -109.282 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3161.977781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.977781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.977781 (E_RNA) where: Base-Base interactions energy: -2202.059 where: short stacking energy: -960.452 Base-Backbone interact. energy: -2.137 local terms energy: -957.781276 where: bonds (distance) C4'-P energy: -175.858 bonds (distance) P-C4' energy: -166.728 flat angles C4'-P-C4' energy: -204.338 flat angles P-C4'-P energy: -139.959 tors. eta vs tors. theta energy: -270.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2956.697195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.697195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.697195 (E_RNA) where: Base-Base interactions energy: -2019.356 where: short stacking energy: -900.165 Base-Backbone interact. energy: 0.491 local terms energy: -937.832291 where: bonds (distance) C4'-P energy: -164.599 bonds (distance) P-C4' energy: -178.632 flat angles C4'-P-C4' energy: -204.521 flat angles P-C4'-P energy: -130.947 tors. eta vs tors. theta energy: -259.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2843.240742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.240742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.240742 (E_RNA) where: Base-Base interactions energy: -1953.929 where: short stacking energy: -897.655 Base-Backbone interact. energy: -2.454 local terms energy: -886.857651 where: bonds (distance) C4'-P energy: -153.744 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -190.073 flat angles P-C4'-P energy: -130.062 tors. eta vs tors. theta energy: -261.476 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: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2728.070113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.070113 (E_RNA) where: Base-Base interactions energy: -1878.640 where: short stacking energy: -826.390 Base-Backbone interact. energy: -1.892 local terms energy: -847.537708 where: bonds (distance) C4'-P energy: -152.007 bonds (distance) P-C4' energy: -165.415 flat angles C4'-P-C4' energy: -187.205 flat angles P-C4'-P energy: -114.586 tors. eta vs tors. theta energy: -228.324 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2503.443052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.443052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.443052 (E_RNA) where: Base-Base interactions energy: -1667.450 where: short stacking energy: -770.178 Base-Backbone interact. energy: -2.672 local terms energy: -833.321136 where: bonds (distance) C4'-P energy: -162.973 bonds (distance) P-C4' energy: -163.384 flat angles C4'-P-C4' energy: -179.696 flat angles P-C4'-P energy: -127.711 tors. eta vs tors. theta energy: -199.556 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: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2333.118805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.118805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.118805 (E_RNA) where: Base-Base interactions energy: -1565.160 where: short stacking energy: -690.128 Base-Backbone interact. energy: 1.063 local terms energy: -769.022422 where: bonds (distance) C4'-P energy: -147.473 bonds (distance) P-C4' energy: -170.619 flat angles C4'-P-C4' energy: -170.429 flat angles P-C4'-P energy: -106.137 tors. eta vs tors. theta energy: -174.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2061.311822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.311822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.311822 (E_RNA) where: Base-Base interactions energy: -1343.473 where: short stacking energy: -586.875 Base-Backbone interact. energy: 0.551 local terms energy: -718.390535 where: bonds (distance) C4'-P energy: -130.058 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -168.002 flat angles P-C4'-P energy: -119.158 tors. eta vs tors. theta energy: -139.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1430.841597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.841597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.841597 (E_RNA) where: Base-Base interactions energy: -824.670 where: short stacking energy: -389.052 Base-Backbone interact. energy: -1.315 local terms energy: -604.856772 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -145.503 flat angles C4'-P-C4' energy: -174.422 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -46.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1093.893937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.893937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.893937 (E_RNA) where: Base-Base interactions energy: -580.183 where: short stacking energy: -317.725 Base-Backbone interact. energy: 0.413 local terms energy: -514.123648 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -134.432 flat angles P-C4'-P energy: -74.657 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -883.414119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.414119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.414119 (E_RNA) where: Base-Base interactions energy: -469.180 where: short stacking energy: -284.062 Base-Backbone interact. energy: 14.651 local terms energy: -428.884724 where: bonds (distance) C4'-P energy: -126.517 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -109.845 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: 10.332 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: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3179.688394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.688394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.688394 (E_RNA) where: Base-Base interactions energy: -2193.979 where: short stacking energy: -964.218 Base-Backbone interact. energy: -1.791 local terms energy: -983.919178 where: bonds (distance) C4'-P energy: -178.576 bonds (distance) P-C4' energy: -179.121 flat angles C4'-P-C4' energy: -206.445 flat angles P-C4'-P energy: -140.388 tors. eta vs tors. theta energy: -279.388 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: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2960.307687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.307687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.307687 (E_RNA) where: Base-Base interactions energy: -1994.386 where: short stacking energy: -886.914 Base-Backbone interact. energy: -3.185 local terms energy: -962.736801 where: bonds (distance) C4'-P energy: -185.644 bonds (distance) P-C4' energy: -162.327 flat angles C4'-P-C4' energy: -202.922 flat angles P-C4'-P energy: -145.781 tors. eta vs tors. theta energy: -266.064 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: 400 Temperature: 1.000000 Total energy: -2893.950624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.950624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.950624 (E_RNA) where: Base-Base interactions energy: -1956.273 where: short stacking energy: -876.838 Base-Backbone interact. energy: -3.070 local terms energy: -934.607857 where: bonds (distance) C4'-P energy: -164.036 bonds (distance) P-C4' energy: -183.515 flat angles C4'-P-C4' energy: -202.901 flat angles P-C4'-P energy: -127.520 tors. eta vs tors. theta energy: -256.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2746.173236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.173236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.173236 (E_RNA) where: Base-Base interactions energy: -1902.636 where: short stacking energy: -820.155 Base-Backbone interact. energy: 0.199 local terms energy: -843.736296 where: bonds (distance) C4'-P energy: -155.534 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -173.421 flat angles P-C4'-P energy: -122.567 tors. eta vs tors. theta energy: -238.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2480.974226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.974226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.974226 (E_RNA) where: Base-Base interactions energy: -1651.133 where: short stacking energy: -763.067 Base-Backbone interact. energy: -1.540 local terms energy: -828.302110 where: bonds (distance) C4'-P energy: -156.478 bonds (distance) P-C4' energy: -155.387 flat angles C4'-P-C4' energy: -178.245 flat angles P-C4'-P energy: -136.332 tors. eta vs tors. theta energy: -201.860 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: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2294.975780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.975780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.975780 (E_RNA) where: Base-Base interactions energy: -1536.011 where: short stacking energy: -641.484 Base-Backbone interact. energy: -2.791 local terms energy: -756.174128 where: bonds (distance) C4'-P energy: -156.257 bonds (distance) P-C4' energy: -141.418 flat angles C4'-P-C4' energy: -183.843 flat angles P-C4'-P energy: -108.268 tors. eta vs tors. theta energy: -166.388 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2070.267033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.267033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.267033 (E_RNA) where: Base-Base interactions energy: -1338.358 where: short stacking energy: -618.309 Base-Backbone interact. energy: -2.337 local terms energy: -729.572198 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -171.462 flat angles C4'-P-C4' energy: -163.757 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -153.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1429.490911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.490911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.490911 (E_RNA) where: Base-Base interactions energy: -864.494 where: short stacking energy: -422.534 Base-Backbone interact. energy: -3.252 local terms energy: -561.744734 where: bonds (distance) C4'-P energy: -146.054 bonds (distance) P-C4' energy: -151.517 flat angles C4'-P-C4' energy: -137.314 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -67.228 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: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1124.851929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.851929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.851929 (E_RNA) where: Base-Base interactions energy: -666.120 where: short stacking energy: -371.063 Base-Backbone interact. energy: 1.905 local terms energy: -460.637497 where: bonds (distance) C4'-P energy: -125.412 bonds (distance) P-C4' energy: -145.012 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -76.108 tors. eta vs tors. theta energy: -8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -976.191183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.191183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.191183 (E_RNA) where: Base-Base interactions energy: -476.139 where: short stacking energy: -291.225 Base-Backbone interact. energy: 0.750 local terms energy: -500.801399 where: bonds (distance) C4'-P energy: -147.403 bonds (distance) P-C4' energy: -148.427 flat angles C4'-P-C4' energy: -124.613 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3140.557087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.557087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.557087 (E_RNA) where: Base-Base interactions energy: -2161.276 where: short stacking energy: -920.359 Base-Backbone interact. energy: -5.511 local terms energy: -973.770339 where: bonds (distance) C4'-P energy: -182.073 bonds (distance) P-C4' energy: -174.727 flat angles C4'-P-C4' energy: -202.288 flat angles P-C4'-P energy: -151.687 tors. eta vs tors. theta energy: -262.996 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: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2995.807106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.807106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.807106 (E_RNA) where: Base-Base interactions energy: -2043.209 where: short stacking energy: -904.528 Base-Backbone interact. energy: 5.848 local terms energy: -958.445448 where: bonds (distance) C4'-P energy: -183.278 bonds (distance) P-C4' energy: -175.215 flat angles C4'-P-C4' energy: -197.072 flat angles P-C4'-P energy: -131.592 tors. eta vs tors. theta energy: -271.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2900.321606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.321606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.321606 (E_RNA) where: Base-Base interactions energy: -1987.762 where: short stacking energy: -896.037 Base-Backbone interact. energy: -1.997 local terms energy: -910.563387 where: bonds (distance) C4'-P energy: -145.196 bonds (distance) P-C4' energy: -174.812 flat angles C4'-P-C4' energy: -192.848 flat angles P-C4'-P energy: -138.794 tors. eta vs tors. theta energy: -258.914 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: 401 Temperature: 1.050000 Total energy: -2766.426447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.426447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.426447 (E_RNA) where: Base-Base interactions energy: -1897.610 where: short stacking energy: -837.520 Base-Backbone interact. energy: -4.335 local terms energy: -864.481328 where: bonds (distance) C4'-P energy: -168.841 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -180.827 flat angles P-C4'-P energy: -132.749 tors. eta vs tors. theta energy: -231.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2464.387045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.387045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.387045 (E_RNA) where: Base-Base interactions energy: -1648.482 where: short stacking energy: -752.820 Base-Backbone interact. energy: 0.263 local terms energy: -816.168132 where: bonds (distance) C4'-P energy: -172.156 bonds (distance) P-C4' energy: -153.395 flat angles C4'-P-C4' energy: -180.193 flat angles P-C4'-P energy: -113.939 tors. eta vs tors. theta energy: -196.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2318.709939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.709939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.709939 (E_RNA) where: Base-Base interactions energy: -1570.657 where: short stacking energy: -683.146 Base-Backbone interact. energy: -2.614 local terms energy: -745.438472 where: bonds (distance) C4'-P energy: -163.915 bonds (distance) P-C4' energy: -156.143 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -171.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2111.926208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.926208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.926208 (E_RNA) where: Base-Base interactions energy: -1389.782 where: short stacking energy: -658.160 Base-Backbone interact. energy: -2.767 local terms energy: -719.377210 where: bonds (distance) C4'-P energy: -141.383 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -163.618 flat angles P-C4'-P energy: -104.224 tors. eta vs tors. theta energy: -151.287 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: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1515.688689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.688689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.688689 (E_RNA) where: Base-Base interactions energy: -928.475 where: short stacking energy: -467.284 Base-Backbone interact. energy: -0.611 local terms energy: -586.602715 where: bonds (distance) C4'-P energy: -118.151 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -151.261 flat angles P-C4'-P energy: -83.094 tors. eta vs tors. theta energy: -82.964 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: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1149.376643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.376643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.376643 (E_RNA) where: Base-Base interactions energy: -627.252 where: short stacking energy: -316.019 Base-Backbone interact. energy: -0.632 local terms energy: -521.492589 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -150.092 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -84.204 tors. eta vs tors. theta energy: -9.932 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: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -892.666719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.666719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.666719 (E_RNA) where: Base-Base interactions energy: -419.548 where: short stacking energy: -259.617 Base-Backbone interact. energy: 3.575 local terms energy: -476.693925 where: bonds (distance) C4'-P energy: -150.911 bonds (distance) P-C4' energy: -158.032 flat angles C4'-P-C4' energy: -119.013 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: 12.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3131.094652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.094652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.094652 (E_RNA) where: Base-Base interactions energy: -2158.690 where: short stacking energy: -952.451 Base-Backbone interact. energy: 1.940 local terms energy: -974.344704 where: bonds (distance) C4'-P energy: -186.795 bonds (distance) P-C4' energy: -171.870 flat angles C4'-P-C4' energy: -210.107 flat angles P-C4'-P energy: -141.448 tors. eta vs tors. theta energy: -264.125 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: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2987.185783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.185783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.185783 (E_RNA) where: Base-Base interactions energy: -2001.622 where: short stacking energy: -899.646 Base-Backbone interact. energy: -1.435 local terms energy: -984.129231 where: bonds (distance) C4'-P energy: -178.532 bonds (distance) P-C4' energy: -191.077 flat angles C4'-P-C4' energy: -207.078 flat angles P-C4'-P energy: -130.823 tors. eta vs tors. theta energy: -276.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2839.962604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.962604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.962604 (E_RNA) where: Base-Base interactions energy: -1954.885 where: short stacking energy: -877.880 Base-Backbone interact. energy: -3.596 local terms energy: -881.481764 where: bonds (distance) C4'-P energy: -170.365 bonds (distance) P-C4' energy: -154.664 flat angles C4'-P-C4' energy: -180.871 flat angles P-C4'-P energy: -121.766 tors. eta vs tors. theta energy: -253.815 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: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2742.347398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.347398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.347398 (E_RNA) where: Base-Base interactions energy: -1902.001 where: short stacking energy: -828.077 Base-Backbone interact. energy: -0.956 local terms energy: -839.390367 where: bonds (distance) C4'-P energy: -159.562 bonds (distance) P-C4' energy: -161.214 flat angles C4'-P-C4' energy: -169.678 flat angles P-C4'-P energy: -128.783 tors. eta vs tors. theta energy: -220.153 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: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2458.563750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.563750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.563750 (E_RNA) where: Base-Base interactions energy: -1660.967 where: short stacking energy: -743.710 Base-Backbone interact. energy: -3.337 local terms energy: -794.260130 where: bonds (distance) C4'-P energy: -153.449 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -188.071 flat angles P-C4'-P energy: -101.561 tors. eta vs tors. theta energy: -185.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2318.386928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.386928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.386928 (E_RNA) where: Base-Base interactions energy: -1573.916 where: short stacking energy: -709.961 Base-Backbone interact. energy: -4.496 local terms energy: -739.974610 where: bonds (distance) C4'-P energy: -151.014 bonds (distance) P-C4' energy: -152.823 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -93.126 tors. eta vs tors. theta energy: -172.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2103.391567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.391567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.391567 (E_RNA) where: Base-Base interactions energy: -1380.482 where: short stacking energy: -644.712 Base-Backbone interact. energy: -1.183 local terms energy: -721.726601 where: bonds (distance) C4'-P energy: -147.383 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -155.994 flat angles P-C4'-P energy: -104.008 tors. eta vs tors. theta energy: -157.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1510.852546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.852546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.852546 (E_RNA) where: Base-Base interactions energy: -935.752 where: short stacking energy: -446.335 Base-Backbone interact. energy: -1.864 local terms energy: -573.235720 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -154.526 flat angles C4'-P-C4' energy: -129.601 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1173.375996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.375996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.375996 (E_RNA) where: Base-Base interactions energy: -658.470 where: short stacking energy: -322.756 Base-Backbone interact. energy: -1.456 local terms energy: -513.449423 where: bonds (distance) C4'-P energy: -152.974 bonds (distance) P-C4' energy: -133.252 flat angles C4'-P-C4' energy: -130.422 flat angles P-C4'-P energy: -78.896 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -827.578480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.578480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.578480 (E_RNA) where: Base-Base interactions energy: -377.042 where: short stacking energy: -261.680 Base-Backbone interact. energy: 1.981 local terms energy: -452.517681 where: bonds (distance) C4'-P energy: -123.362 bonds (distance) P-C4' energy: -148.676 flat angles C4'-P-C4' energy: -128.149 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: 12.146 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: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3133.248216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.248216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.248216 (E_RNA) where: Base-Base interactions energy: -2139.480 where: short stacking energy: -944.215 Base-Backbone interact. energy: 0.067 local terms energy: -993.835303 where: bonds (distance) C4'-P energy: -186.461 bonds (distance) P-C4' energy: -189.260 flat angles C4'-P-C4' energy: -209.292 flat angles P-C4'-P energy: -134.474 tors. eta vs tors. theta energy: -274.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2962.354117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.354117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.354117 (E_RNA) where: Base-Base interactions energy: -2012.555 where: short stacking energy: -911.382 Base-Backbone interact. energy: 3.119 local terms energy: -952.917944 where: bonds (distance) C4'-P energy: -174.366 bonds (distance) P-C4' energy: -179.526 flat angles C4'-P-C4' energy: -198.190 flat angles P-C4'-P energy: -137.723 tors. eta vs tors. theta energy: -263.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2845.869805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.869805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.869805 (E_RNA) where: Base-Base interactions energy: -1941.790 where: short stacking energy: -881.154 Base-Backbone interact. energy: -1.378 local terms energy: -902.702440 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -165.814 flat angles C4'-P-C4' energy: -198.263 flat angles P-C4'-P energy: -128.895 tors. eta vs tors. theta energy: -259.920 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: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2716.141939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.141939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.141939 (E_RNA) where: Base-Base interactions energy: -1855.630 where: short stacking energy: -815.889 Base-Backbone interact. energy: -2.210 local terms energy: -858.302072 where: bonds (distance) C4'-P energy: -180.349 bonds (distance) P-C4' energy: -152.488 flat angles C4'-P-C4' energy: -177.489 flat angles P-C4'-P energy: -130.368 tors. eta vs tors. theta energy: -217.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2512.605865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.605865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.605865 (E_RNA) where: Base-Base interactions energy: -1670.088 where: short stacking energy: -760.151 Base-Backbone interact. energy: 0.800 local terms energy: -843.318370 where: bonds (distance) C4'-P energy: -171.363 bonds (distance) P-C4' energy: -157.021 flat angles C4'-P-C4' energy: -176.683 flat angles P-C4'-P energy: -135.371 tors. eta vs tors. theta energy: -202.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2300.800836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.800836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.800836 (E_RNA) where: Base-Base interactions energy: -1544.347 where: short stacking energy: -661.937 Base-Backbone interact. energy: -1.110 local terms energy: -755.344263 where: bonds (distance) C4'-P energy: -156.138 bonds (distance) P-C4' energy: -180.522 flat angles C4'-P-C4' energy: -158.201 flat angles P-C4'-P energy: -107.472 tors. eta vs tors. theta energy: -153.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2118.268273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.268273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.268273 (E_RNA) where: Base-Base interactions energy: -1401.945 where: short stacking energy: -629.224 Base-Backbone interact. energy: -4.205 local terms energy: -712.117970 where: bonds (distance) C4'-P energy: -137.445 bonds (distance) P-C4' energy: -138.391 flat angles C4'-P-C4' energy: -172.085 flat angles P-C4'-P energy: -105.003 tors. eta vs tors. theta energy: -159.194 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: 403 Temperature: 1.250000 Total energy: -1448.978473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.978473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.978473 (E_RNA) where: Base-Base interactions energy: -874.453 where: short stacking energy: -415.892 Base-Backbone interact. energy: -4.674 local terms energy: -569.851197 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -146.021 flat angles C4'-P-C4' energy: -120.855 flat angles P-C4'-P energy: -79.225 tors. eta vs tors. theta energy: -68.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1147.464654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.464654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.464654 (E_RNA) where: Base-Base interactions energy: -635.570 where: short stacking energy: -322.540 Base-Backbone interact. energy: -2.735 local terms energy: -509.160115 where: bonds (distance) C4'-P energy: -129.131 bonds (distance) P-C4' energy: -143.300 flat angles C4'-P-C4' energy: -122.601 flat angles P-C4'-P energy: -83.747 tors. eta vs tors. theta energy: -30.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -834.531174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.531174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.531174 (E_RNA) where: Base-Base interactions energy: -384.728 where: short stacking energy: -222.716 Base-Backbone interact. energy: 0.768 local terms energy: -450.570394 where: bonds (distance) C4'-P energy: -158.381 bonds (distance) P-C4' energy: -147.849 flat angles C4'-P-C4' energy: -89.600 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: 16.804 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: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3112.741571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.741571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.741571 (E_RNA) where: Base-Base interactions energy: -2142.524 where: short stacking energy: -949.675 Base-Backbone interact. energy: -3.267 local terms energy: -966.950663 where: bonds (distance) C4'-P energy: -173.126 bonds (distance) P-C4' energy: -183.726 flat angles C4'-P-C4' energy: -209.219 flat angles P-C4'-P energy: -134.313 tors. eta vs tors. theta energy: -266.567 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: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2981.401295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.401295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.401295 (E_RNA) where: Base-Base interactions energy: -2031.927 where: short stacking energy: -904.290 Base-Backbone interact. energy: -0.357 local terms energy: -949.117427 where: bonds (distance) C4'-P energy: -167.437 bonds (distance) P-C4' energy: -184.407 flat angles C4'-P-C4' energy: -204.691 flat angles P-C4'-P energy: -134.014 tors. eta vs tors. theta energy: -258.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2852.638354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.638354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.638354 (E_RNA) where: Base-Base interactions energy: -1910.764 where: short stacking energy: -853.000 Base-Backbone interact. energy: -1.191 local terms energy: -940.683982 where: bonds (distance) C4'-P energy: -177.092 bonds (distance) P-C4' energy: -182.645 flat angles C4'-P-C4' energy: -188.305 flat angles P-C4'-P energy: -128.432 tors. eta vs tors. theta energy: -264.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2706.523866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.523866 (E_RNA) where: Base-Base interactions energy: -1855.776 where: short stacking energy: -826.123 Base-Backbone interact. energy: -1.252 local terms energy: -849.495382 where: bonds (distance) C4'-P energy: -163.015 bonds (distance) P-C4' energy: -160.086 flat angles C4'-P-C4' energy: -188.210 flat angles P-C4'-P energy: -119.356 tors. eta vs tors. theta energy: -218.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2485.927410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.927410 (E_RNA) where: Base-Base interactions energy: -1655.664 where: short stacking energy: -746.179 Base-Backbone interact. energy: -0.979 local terms energy: -829.284438 where: bonds (distance) C4'-P energy: -168.105 bonds (distance) P-C4' energy: -159.731 flat angles C4'-P-C4' energy: -185.108 flat angles P-C4'-P energy: -123.570 tors. eta vs tors. theta energy: -192.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2327.397460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.397460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.397460 (E_RNA) where: Base-Base interactions energy: -1582.384 where: short stacking energy: -706.438 Base-Backbone interact. energy: -3.545 local terms energy: -741.468390 where: bonds (distance) C4'-P energy: -137.287 bonds (distance) P-C4' energy: -149.374 flat angles C4'-P-C4' energy: -167.979 flat angles P-C4'-P energy: -116.966 tors. eta vs tors. theta energy: -169.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2132.587058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.587058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.587058 (E_RNA) where: Base-Base interactions energy: -1428.623 where: short stacking energy: -673.661 Base-Backbone interact. energy: 2.211 local terms energy: -706.175322 where: bonds (distance) C4'-P energy: -134.452 bonds (distance) P-C4' energy: -130.317 flat angles C4'-P-C4' energy: -185.972 flat angles P-C4'-P energy: -95.281 tors. eta vs tors. theta energy: -160.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1493.550664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.550664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.550664 (E_RNA) where: Base-Base interactions energy: -892.563 where: short stacking energy: -454.116 Base-Backbone interact. energy: -1.060 local terms energy: -599.927699 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -153.292 flat angles C4'-P-C4' energy: -157.405 flat angles P-C4'-P energy: -81.957 tors. eta vs tors. theta energy: -86.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1146.113463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.113463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.113463 (E_RNA) where: Base-Base interactions energy: -629.738 where: short stacking energy: -322.038 Base-Backbone interact. energy: 1.029 local terms energy: -517.404252 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -131.937 flat angles P-C4'-P energy: -71.620 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -864.989455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.989455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.989455 (E_RNA) where: Base-Base interactions energy: -406.595 where: short stacking energy: -257.181 Base-Backbone interact. energy: -0.848 local terms energy: -457.546463 where: bonds (distance) C4'-P energy: -115.340 bonds (distance) P-C4' energy: -145.101 flat angles C4'-P-C4' energy: -146.749 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3143.620971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.620971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.620971 (E_RNA) where: Base-Base interactions energy: -2159.127 where: short stacking energy: -957.424 Base-Backbone interact. energy: -3.775 local terms energy: -980.719363 where: bonds (distance) C4'-P energy: -183.414 bonds (distance) P-C4' energy: -190.987 flat angles C4'-P-C4' energy: -202.899 flat angles P-C4'-P energy: -127.939 tors. eta vs tors. theta energy: -275.480 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: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3027.114951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.114951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.114951 (E_RNA) where: Base-Base interactions energy: -2094.498 where: short stacking energy: -955.711 Base-Backbone interact. energy: -0.155 local terms energy: -932.461421 where: bonds (distance) C4'-P energy: -161.996 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -200.768 flat angles P-C4'-P energy: -130.391 tors. eta vs tors. theta energy: -268.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2819.373668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.373668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.373668 (E_RNA) where: Base-Base interactions energy: -1923.168 where: short stacking energy: -864.824 Base-Backbone interact. energy: -2.786 local terms energy: -893.418870 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -180.969 flat angles C4'-P-C4' energy: -197.518 flat angles P-C4'-P energy: -108.796 tors. eta vs tors. theta energy: -263.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2731.936330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.936330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.936330 (E_RNA) where: Base-Base interactions energy: -1885.504 where: short stacking energy: -817.888 Base-Backbone interact. energy: -1.156 local terms energy: -845.275967 where: bonds (distance) C4'-P energy: -161.588 bonds (distance) P-C4' energy: -147.068 flat angles C4'-P-C4' energy: -192.261 flat angles P-C4'-P energy: -120.515 tors. eta vs tors. theta energy: -223.845 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: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2480.216228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.216228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.216228 (E_RNA) where: Base-Base interactions energy: -1664.054 where: short stacking energy: -748.871 Base-Backbone interact. energy: -1.028 local terms energy: -815.134314 where: bonds (distance) C4'-P energy: -156.700 bonds (distance) P-C4' energy: -159.539 flat angles C4'-P-C4' energy: -162.749 flat angles P-C4'-P energy: -126.237 tors. eta vs tors. theta energy: -209.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2305.943492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.943492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.943492 (E_RNA) where: Base-Base interactions energy: -1579.988 where: short stacking energy: -692.654 Base-Backbone interact. energy: 7.570 local terms energy: -733.524705 where: bonds (distance) C4'-P energy: -171.970 bonds (distance) P-C4' energy: -140.128 flat angles C4'-P-C4' energy: -153.381 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -176.946 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: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2099.312130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.312130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.312130 (E_RNA) where: Base-Base interactions energy: -1364.916 where: short stacking energy: -626.274 Base-Backbone interact. energy: 1.094 local terms energy: -735.489512 where: bonds (distance) C4'-P energy: -154.765 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -178.070 flat angles P-C4'-P energy: -98.524 tors. eta vs tors. theta energy: -160.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1485.977111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.977111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.977111 (E_RNA) where: Base-Base interactions energy: -886.263 where: short stacking energy: -428.261 Base-Backbone interact. energy: 1.464 local terms energy: -601.177839 where: bonds (distance) C4'-P energy: -148.245 bonds (distance) P-C4' energy: -163.657 flat angles C4'-P-C4' energy: -148.230 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -63.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1271.542689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.542689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.542689 (E_RNA) where: Base-Base interactions energy: -729.963 where: short stacking energy: -372.873 Base-Backbone interact. energy: -1.830 local terms energy: -539.749340 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -163.591 flat angles C4'-P-C4' energy: -138.409 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -39.667 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: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -844.394907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.394907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.394907 (E_RNA) where: Base-Base interactions energy: -362.182 where: short stacking energy: -217.456 Base-Backbone interact. energy: 9.495 local terms energy: -491.708378 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -150.620 flat angles C4'-P-C4' energy: -127.069 flat angles P-C4'-P energy: -82.341 tors. eta vs tors. theta energy: 11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3101.070757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.070757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.070757 (E_RNA) where: Base-Base interactions energy: -2133.305 where: short stacking energy: -941.402 Base-Backbone interact. energy: -4.703 local terms energy: -963.062873 where: bonds (distance) C4'-P energy: -177.904 bonds (distance) P-C4' energy: -187.467 flat angles C4'-P-C4' energy: -195.576 flat angles P-C4'-P energy: -138.384 tors. eta vs tors. theta energy: -263.732 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: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2960.268340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.268340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.268340 (E_RNA) where: Base-Base interactions energy: -2035.670 where: short stacking energy: -921.464 Base-Backbone interact. energy: -2.386 local terms energy: -922.212132 where: bonds (distance) C4'-P energy: -170.292 bonds (distance) P-C4' energy: -167.048 flat angles C4'-P-C4' energy: -185.731 flat angles P-C4'-P energy: -134.884 tors. eta vs tors. theta energy: -264.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2828.712422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.712422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.712422 (E_RNA) where: Base-Base interactions energy: -1912.047 where: short stacking energy: -888.303 Base-Backbone interact. energy: -2.517 local terms energy: -914.148393 where: bonds (distance) C4'-P energy: -163.906 bonds (distance) P-C4' energy: -169.607 flat angles C4'-P-C4' energy: -196.586 flat angles P-C4'-P energy: -107.267 tors. eta vs tors. theta energy: -276.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2727.215085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.215085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.215085 (E_RNA) where: Base-Base interactions energy: -1876.554 where: short stacking energy: -810.888 Base-Backbone interact. energy: 1.475 local terms energy: -852.136552 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -166.801 flat angles C4'-P-C4' energy: -183.940 flat angles P-C4'-P energy: -133.958 tors. eta vs tors. theta energy: -217.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2548.907260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.907260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.907260 (E_RNA) where: Base-Base interactions energy: -1724.568 where: short stacking energy: -781.901 Base-Backbone interact. energy: -2.949 local terms energy: -821.390237 where: bonds (distance) C4'-P energy: -165.871 bonds (distance) P-C4' energy: -141.286 flat angles C4'-P-C4' energy: -175.023 flat angles P-C4'-P energy: -121.631 tors. eta vs tors. theta energy: -217.579 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: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2283.979392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.979392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.979392 (E_RNA) where: Base-Base interactions energy: -1530.330 where: short stacking energy: -683.106 Base-Backbone interact. energy: -2.094 local terms energy: -751.555243 where: bonds (distance) C4'-P energy: -135.011 bonds (distance) P-C4' energy: -170.958 flat angles C4'-P-C4' energy: -177.488 flat angles P-C4'-P energy: -99.436 tors. eta vs tors. theta energy: -168.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2157.047607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.047607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.047607 (E_RNA) where: Base-Base interactions energy: -1422.763 where: short stacking energy: -655.367 Base-Backbone interact. energy: -0.470 local terms energy: -733.814784 where: bonds (distance) C4'-P energy: -137.806 bonds (distance) P-C4' energy: -138.462 flat angles C4'-P-C4' energy: -178.835 flat angles P-C4'-P energy: -109.844 tors. eta vs tors. theta energy: -168.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1537.560595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.560595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.560595 (E_RNA) where: Base-Base interactions energy: -896.770 where: short stacking energy: -456.017 Base-Backbone interact. energy: -0.100 local terms energy: -640.690419 where: bonds (distance) C4'-P energy: -169.122 bonds (distance) P-C4' energy: -152.535 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -83.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1250.049087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.049087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.049087 (E_RNA) where: Base-Base interactions energy: -718.061 where: short stacking energy: -345.054 Base-Backbone interact. energy: 3.595 local terms energy: -535.583565 where: bonds (distance) C4'-P energy: -152.318 bonds (distance) P-C4' energy: -145.321 flat angles C4'-P-C4' energy: -124.856 flat angles P-C4'-P energy: -77.261 tors. eta vs tors. theta energy: -35.827 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -836.664736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.664736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.664736 (E_RNA) where: Base-Base interactions energy: -380.848 where: short stacking energy: -235.487 Base-Backbone interact. energy: 0.060 local terms energy: -455.875861 where: bonds (distance) C4'-P energy: -131.214 bonds (distance) P-C4' energy: -158.753 flat angles C4'-P-C4' energy: -125.216 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: 20.878 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: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3094.313030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.313030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.313030 (E_RNA) where: Base-Base interactions energy: -2114.569 where: short stacking energy: -935.881 Base-Backbone interact. energy: -3.416 local terms energy: -976.328052 where: bonds (distance) C4'-P energy: -179.860 bonds (distance) P-C4' energy: -184.970 flat angles C4'-P-C4' energy: -203.496 flat angles P-C4'-P energy: -138.560 tors. eta vs tors. theta energy: -269.442 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: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2988.024947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.024947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.024947 (E_RNA) where: Base-Base interactions energy: -2054.585 where: short stacking energy: -912.926 Base-Backbone interact. energy: -1.178 local terms energy: -932.261246 where: bonds (distance) C4'-P energy: -175.291 bonds (distance) P-C4' energy: -175.508 flat angles C4'-P-C4' energy: -192.393 flat angles P-C4'-P energy: -126.200 tors. eta vs tors. theta energy: -262.869 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: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2824.217660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.217660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.217660 (E_RNA) where: Base-Base interactions energy: -1933.698 where: short stacking energy: -878.734 Base-Backbone interact. energy: -0.746 local terms energy: -889.774018 where: bonds (distance) C4'-P energy: -160.296 bonds (distance) P-C4' energy: -160.860 flat angles C4'-P-C4' energy: -203.460 flat angles P-C4'-P energy: -115.892 tors. eta vs tors. theta energy: -249.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2719.986148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.986148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.986148 (E_RNA) where: Base-Base interactions energy: -1835.786 where: short stacking energy: -817.038 Base-Backbone interact. energy: -4.204 local terms energy: -879.996280 where: bonds (distance) C4'-P energy: -174.399 bonds (distance) P-C4' energy: -170.331 flat angles C4'-P-C4' energy: -182.850 flat angles P-C4'-P energy: -120.481 tors. eta vs tors. theta energy: -231.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2579.531814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.531814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.531814 (E_RNA) where: Base-Base interactions energy: -1737.904 where: short stacking energy: -786.366 Base-Backbone interact. energy: -1.543 local terms energy: -840.084794 where: bonds (distance) C4'-P energy: -148.182 bonds (distance) P-C4' energy: -168.971 flat angles C4'-P-C4' energy: -172.031 flat angles P-C4'-P energy: -131.811 tors. eta vs tors. theta energy: -219.090 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: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2276.375395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.375395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.375395 (E_RNA) where: Base-Base interactions energy: -1507.562 where: short stacking energy: -670.302 Base-Backbone interact. energy: 3.466 local terms energy: -772.279320 where: bonds (distance) C4'-P energy: -153.231 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -183.350 flat angles P-C4'-P energy: -120.405 tors. eta vs tors. theta energy: -166.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2119.133572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.133572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.133572 (E_RNA) where: Base-Base interactions energy: -1393.684 where: short stacking energy: -624.559 Base-Backbone interact. energy: 1.205 local terms energy: -726.655052 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -154.898 flat angles C4'-P-C4' energy: -162.307 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -162.101 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: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1534.801171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.801171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.801171 (E_RNA) where: Base-Base interactions energy: -935.784 where: short stacking energy: -469.894 Base-Backbone interact. energy: 0.763 local terms energy: -599.780612 where: bonds (distance) C4'-P energy: -147.801 bonds (distance) P-C4' energy: -177.107 flat angles C4'-P-C4' energy: -132.659 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -70.252 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: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1257.719714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.719714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.719714 (E_RNA) where: Base-Base interactions energy: -691.829 where: short stacking energy: -330.690 Base-Backbone interact. energy: -1.250 local terms energy: -564.639777 where: bonds (distance) C4'-P energy: -157.731 bonds (distance) P-C4' energy: -135.036 flat angles C4'-P-C4' energy: -152.089 flat angles P-C4'-P energy: -88.022 tors. eta vs tors. theta energy: -31.762 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: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -889.646242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.646242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.646242 (E_RNA) where: Base-Base interactions energy: -375.024 where: short stacking energy: -243.548 Base-Backbone interact. energy: 0.201 local terms energy: -514.823138 where: bonds (distance) C4'-P energy: -136.015 bonds (distance) P-C4' energy: -159.949 flat angles C4'-P-C4' energy: -137.292 flat angles P-C4'-P energy: -80.834 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3107.518204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.518204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.518204 (E_RNA) where: Base-Base interactions energy: -2141.804 where: short stacking energy: -940.358 Base-Backbone interact. energy: -2.267 local terms energy: -963.447915 where: bonds (distance) C4'-P energy: -182.965 bonds (distance) P-C4' energy: -171.639 flat angles C4'-P-C4' energy: -206.728 flat angles P-C4'-P energy: -139.907 tors. eta vs tors. theta energy: -262.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3000.969682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.969682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.969682 (E_RNA) where: Base-Base interactions energy: -2057.845 where: short stacking energy: -926.078 Base-Backbone interact. energy: -1.766 local terms energy: -941.358544 where: bonds (distance) C4'-P energy: -170.931 bonds (distance) P-C4' energy: -182.614 flat angles C4'-P-C4' energy: -197.894 flat angles P-C4'-P energy: -127.419 tors. eta vs tors. theta energy: -262.501 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2828.581807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.581807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.581807 (E_RNA) where: Base-Base interactions energy: -1919.878 where: short stacking energy: -845.009 Base-Backbone interact. energy: 0.234 local terms energy: -908.937676 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -169.217 flat angles C4'-P-C4' energy: -194.620 flat angles P-C4'-P energy: -134.154 tors. eta vs tors. theta energy: -251.721 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: 408 Temperature: 1.050000 Total energy: -2734.355919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.355919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.355919 (E_RNA) where: Base-Base interactions energy: -1854.354 where: short stacking energy: -837.955 Base-Backbone interact. energy: 0.287 local terms energy: -880.288599 where: bonds (distance) C4'-P energy: -166.968 bonds (distance) P-C4' energy: -163.077 flat angles C4'-P-C4' energy: -194.208 flat angles P-C4'-P energy: -126.861 tors. eta vs tors. theta energy: -229.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2538.626085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.626085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.626085 (E_RNA) where: Base-Base interactions energy: -1725.157 where: short stacking energy: -771.260 Base-Backbone interact. energy: -1.371 local terms energy: -812.098716 where: bonds (distance) C4'-P energy: -160.837 bonds (distance) P-C4' energy: -142.205 flat angles C4'-P-C4' energy: -187.928 flat angles P-C4'-P energy: -119.763 tors. eta vs tors. theta energy: -201.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2272.221067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.221067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.221067 (E_RNA) where: Base-Base interactions energy: -1521.054 where: short stacking energy: -660.409 Base-Backbone interact. energy: -2.036 local terms energy: -749.130949 where: bonds (distance) C4'-P energy: -155.258 bonds (distance) P-C4' energy: -162.909 flat angles C4'-P-C4' energy: -169.248 flat angles P-C4'-P energy: -86.974 tors. eta vs tors. theta energy: -174.742 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: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2141.548586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.548586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.548586 (E_RNA) where: Base-Base interactions energy: -1415.291 where: short stacking energy: -620.994 Base-Backbone interact. energy: -2.610 local terms energy: -723.647294 where: bonds (distance) C4'-P energy: -140.995 bonds (distance) P-C4' energy: -147.258 flat angles C4'-P-C4' energy: -174.379 flat angles P-C4'-P energy: -105.148 tors. eta vs tors. theta energy: -155.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1523.779932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.779932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.779932 (E_RNA) where: Base-Base interactions energy: -954.566 where: short stacking energy: -454.779 Base-Backbone interact. energy: 8.069 local terms energy: -577.282201 where: bonds (distance) C4'-P energy: -132.999 bonds (distance) P-C4' energy: -152.166 flat angles C4'-P-C4' energy: -130.070 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -68.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1256.772947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.772947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.772947 (E_RNA) where: Base-Base interactions energy: -711.076 where: short stacking energy: -370.715 Base-Backbone interact. energy: -2.260 local terms energy: -543.437109 where: bonds (distance) C4'-P energy: -124.054 bonds (distance) P-C4' energy: -149.395 flat angles C4'-P-C4' energy: -130.956 flat angles P-C4'-P energy: -84.485 tors. eta vs tors. theta energy: -54.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -897.759462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.759462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.759462 (E_RNA) where: Base-Base interactions energy: -440.263 where: short stacking energy: -253.270 Base-Backbone interact. energy: 3.129 local terms energy: -460.625156 where: bonds (distance) C4'-P energy: -119.122 bonds (distance) P-C4' energy: -143.816 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -7.053 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: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3116.454539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.454539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.454539 (E_RNA) where: Base-Base interactions energy: -2148.682 where: short stacking energy: -942.863 Base-Backbone interact. energy: -4.558 local terms energy: -963.214436 where: bonds (distance) C4'-P energy: -184.110 bonds (distance) P-C4' energy: -165.646 flat angles C4'-P-C4' energy: -200.508 flat angles P-C4'-P energy: -144.076 tors. eta vs tors. theta energy: -268.875 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: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2973.263978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.263978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.263978 (E_RNA) where: Base-Base interactions energy: -2037.252 where: short stacking energy: -937.278 Base-Backbone interact. energy: -2.763 local terms energy: -933.248592 where: bonds (distance) C4'-P energy: -181.152 bonds (distance) P-C4' energy: -161.655 flat angles C4'-P-C4' energy: -188.914 flat angles P-C4'-P energy: -127.771 tors. eta vs tors. theta energy: -273.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2825.438190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.438190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.438190 (E_RNA) where: Base-Base interactions energy: -1926.200 where: short stacking energy: -896.806 Base-Backbone interact. energy: -1.604 local terms energy: -897.633704 where: bonds (distance) C4'-P energy: -174.176 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -196.278 flat angles P-C4'-P energy: -131.452 tors. eta vs tors. theta energy: -245.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2730.347131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.347131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.347131 (E_RNA) where: Base-Base interactions energy: -1863.173 where: short stacking energy: -823.072 Base-Backbone interact. energy: 7.758 local terms energy: -874.932913 where: bonds (distance) C4'-P energy: -159.160 bonds (distance) P-C4' energy: -183.038 flat angles C4'-P-C4' energy: -186.976 flat angles P-C4'-P energy: -126.250 tors. eta vs tors. theta energy: -219.509 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: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2504.460472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.460472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.460472 (E_RNA) where: Base-Base interactions energy: -1676.243 where: short stacking energy: -741.794 Base-Backbone interact. energy: -4.576 local terms energy: -823.641016 where: bonds (distance) C4'-P energy: -168.557 bonds (distance) P-C4' energy: -158.880 flat angles C4'-P-C4' energy: -182.983 flat angles P-C4'-P energy: -115.532 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: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2287.496289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.496289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.496289 (E_RNA) where: Base-Base interactions energy: -1540.292 where: short stacking energy: -627.959 Base-Backbone interact. energy: 0.153 local terms energy: -747.356932 where: bonds (distance) C4'-P energy: -154.328 bonds (distance) P-C4' energy: -169.292 flat angles C4'-P-C4' energy: -167.791 flat angles P-C4'-P energy: -104.983 tors. eta vs tors. theta energy: -150.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2113.679867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.679867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.679867 (E_RNA) where: Base-Base interactions energy: -1366.684 where: short stacking energy: -605.696 Base-Backbone interact. energy: 0.111 local terms energy: -747.107193 where: bonds (distance) C4'-P energy: -134.718 bonds (distance) P-C4' energy: -169.480 flat angles C4'-P-C4' energy: -173.117 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -147.071 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: 409 Temperature: 1.250000 Total energy: -1498.023324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.023324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.023324 (E_RNA) where: Base-Base interactions energy: -913.509 where: short stacking energy: -415.364 Base-Backbone interact. energy: -3.430 local terms energy: -581.084488 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -166.706 flat angles C4'-P-C4' energy: -136.409 flat angles P-C4'-P energy: -78.457 tors. eta vs tors. theta energy: -67.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1275.593281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.593281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.593281 (E_RNA) where: Base-Base interactions energy: -727.572 where: short stacking energy: -398.252 Base-Backbone interact. energy: -1.824 local terms energy: -546.198127 where: bonds (distance) C4'-P energy: -140.757 bonds (distance) P-C4' energy: -145.003 flat angles C4'-P-C4' energy: -126.971 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -52.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -866.971553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.971553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.971553 (E_RNA) where: Base-Base interactions energy: -440.305 where: short stacking energy: -278.482 Base-Backbone interact. energy: -4.269 local terms energy: -422.397629 where: bonds (distance) C4'-P energy: -139.114 bonds (distance) P-C4' energy: -110.409 flat angles C4'-P-C4' energy: -128.227 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3125.130424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.130424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.130424 (E_RNA) where: Base-Base interactions energy: -2181.092 where: short stacking energy: -960.300 Base-Backbone interact. energy: -2.937 local terms energy: -941.101796 where: bonds (distance) C4'-P energy: -181.645 bonds (distance) P-C4' energy: -163.124 flat angles C4'-P-C4' energy: -186.214 flat angles P-C4'-P energy: -135.577 tors. eta vs tors. theta energy: -274.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2964.280295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.280295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.280295 (E_RNA) where: Base-Base interactions energy: -2024.379 where: short stacking energy: -895.084 Base-Backbone interact. energy: -3.231 local terms energy: -936.670163 where: bonds (distance) C4'-P energy: -170.025 bonds (distance) P-C4' energy: -186.362 flat angles C4'-P-C4' energy: -189.248 flat angles P-C4'-P energy: -137.385 tors. eta vs tors. theta energy: -253.649 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: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2869.702827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.702827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.702827 (E_RNA) where: Base-Base interactions energy: -1951.698 where: short stacking energy: -910.855 Base-Backbone interact. energy: -1.696 local terms energy: -916.308638 where: bonds (distance) C4'-P energy: -147.545 bonds (distance) P-C4' energy: -178.502 flat angles C4'-P-C4' energy: -192.292 flat angles P-C4'-P energy: -126.215 tors. eta vs tors. theta energy: -271.755 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: 410 Temperature: 1.050000 Total energy: -2696.945118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.945118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.945118 (E_RNA) where: Base-Base interactions energy: -1850.464 where: short stacking energy: -810.304 Base-Backbone interact. energy: -2.077 local terms energy: -844.404516 where: bonds (distance) C4'-P energy: -152.691 bonds (distance) P-C4' energy: -181.569 flat angles C4'-P-C4' energy: -178.977 flat angles P-C4'-P energy: -121.411 tors. eta vs tors. theta energy: -209.757 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: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2468.425931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.425931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.425931 (E_RNA) where: Base-Base interactions energy: -1672.021 where: short stacking energy: -771.523 Base-Backbone interact. energy: 3.417 local terms energy: -799.822441 where: bonds (distance) C4'-P energy: -160.082 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -176.749 flat angles P-C4'-P energy: -109.393 tors. eta vs tors. theta energy: -204.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2327.891945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.891945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.891945 (E_RNA) where: Base-Base interactions energy: -1580.703 where: short stacking energy: -687.125 Base-Backbone interact. energy: 5.033 local terms energy: -752.221333 where: bonds (distance) C4'-P energy: -142.179 bonds (distance) P-C4' energy: -153.318 flat angles C4'-P-C4' energy: -165.056 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -182.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2089.683780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.683780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.683780 (E_RNA) where: Base-Base interactions energy: -1362.369 where: short stacking energy: -637.002 Base-Backbone interact. energy: -3.186 local terms energy: -724.128362 where: bonds (distance) C4'-P energy: -162.235 bonds (distance) P-C4' energy: -141.129 flat angles C4'-P-C4' energy: -161.974 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -162.531 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: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1530.409705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.409705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.409705 (E_RNA) where: Base-Base interactions energy: -963.188 where: short stacking energy: -436.956 Base-Backbone interact. energy: 3.000 local terms energy: -570.221420 where: bonds (distance) C4'-P energy: -123.293 bonds (distance) P-C4' energy: -154.180 flat angles C4'-P-C4' energy: -134.674 flat angles P-C4'-P energy: -87.735 tors. eta vs tors. theta energy: -70.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1286.837576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.837576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.837576 (E_RNA) where: Base-Base interactions energy: -736.997 where: short stacking energy: -398.267 Base-Backbone interact. energy: 2.194 local terms energy: -552.034599 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -138.240 flat angles C4'-P-C4' energy: -126.277 flat angles P-C4'-P energy: -87.547 tors. eta vs tors. theta energy: -57.699 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: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -874.704686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.704686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.704686 (E_RNA) where: Base-Base interactions energy: -396.259 where: short stacking energy: -240.739 Base-Backbone interact. energy: -0.899 local terms energy: -477.546462 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -145.794 flat angles C4'-P-C4' energy: -128.684 flat angles P-C4'-P energy: -87.960 tors. eta vs tors. theta energy: 4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3098.481444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.481444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.481444 (E_RNA) where: Base-Base interactions energy: -2158.877 where: short stacking energy: -950.784 Base-Backbone interact. energy: -1.976 local terms energy: -937.628309 where: bonds (distance) C4'-P energy: -157.083 bonds (distance) P-C4' energy: -191.785 flat angles C4'-P-C4' energy: -199.466 flat angles P-C4'-P energy: -119.367 tors. eta vs tors. theta energy: -269.928 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: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2999.594381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.594381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.594381 (E_RNA) where: Base-Base interactions energy: -2048.614 where: short stacking energy: -926.437 Base-Backbone interact. energy: -1.813 local terms energy: -949.166987 where: bonds (distance) C4'-P energy: -173.289 bonds (distance) P-C4' energy: -173.751 flat angles C4'-P-C4' energy: -203.818 flat angles P-C4'-P energy: -126.387 tors. eta vs tors. theta energy: -271.921 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2855.774688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.774688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.774688 (E_RNA) where: Base-Base interactions energy: -1963.981 where: short stacking energy: -909.942 Base-Backbone interact. energy: -2.169 local terms energy: -889.624887 where: bonds (distance) C4'-P energy: -159.561 bonds (distance) P-C4' energy: -157.775 flat angles C4'-P-C4' energy: -187.879 flat angles P-C4'-P energy: -125.042 tors. eta vs tors. theta energy: -259.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2747.167655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.167655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.167655 (E_RNA) where: Base-Base interactions energy: -1852.778 where: short stacking energy: -829.719 Base-Backbone interact. energy: -1.685 local terms energy: -892.705162 where: bonds (distance) C4'-P energy: -182.666 bonds (distance) P-C4' energy: -169.582 flat angles C4'-P-C4' energy: -190.647 flat angles P-C4'-P energy: -127.726 tors. eta vs tors. theta energy: -222.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2560.226424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.226424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.226424 (E_RNA) where: Base-Base interactions energy: -1730.243 where: short stacking energy: -802.243 Base-Backbone interact. energy: -2.332 local terms energy: -827.651172 where: bonds (distance) C4'-P energy: -147.563 bonds (distance) P-C4' energy: -146.027 flat angles C4'-P-C4' energy: -181.178 flat angles P-C4'-P energy: -136.840 tors. eta vs tors. theta energy: -216.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2377.044898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.044898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.044898 (E_RNA) where: Base-Base interactions energy: -1590.342 where: short stacking energy: -698.981 Base-Backbone interact. energy: -2.391 local terms energy: -784.311739 where: bonds (distance) C4'-P energy: -157.376 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -162.473 flat angles P-C4'-P energy: -132.650 tors. eta vs tors. theta energy: -182.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2041.196312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.196312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.196312 (E_RNA) where: Base-Base interactions energy: -1356.328 where: short stacking energy: -618.969 Base-Backbone interact. energy: -1.437 local terms energy: -683.431837 where: bonds (distance) C4'-P energy: -146.739 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -171.764 flat angles P-C4'-P energy: -88.109 tors. eta vs tors. theta energy: -129.217 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: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1573.231110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.231110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.231110 (E_RNA) where: Base-Base interactions energy: -988.974 where: short stacking energy: -453.471 Base-Backbone interact. energy: 1.186 local terms energy: -585.442740 where: bonds (distance) C4'-P energy: -142.263 bonds (distance) P-C4' energy: -152.406 flat angles C4'-P-C4' energy: -135.831 flat angles P-C4'-P energy: -94.917 tors. eta vs tors. theta energy: -60.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1183.616601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.616601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.616601 (E_RNA) where: Base-Base interactions energy: -673.794 where: short stacking energy: -389.111 Base-Backbone interact. energy: 7.042 local terms energy: -516.864723 where: bonds (distance) C4'-P energy: -141.088 bonds (distance) P-C4' energy: -146.778 flat angles C4'-P-C4' energy: -117.338 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -48.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -863.608175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.608175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.608175 (E_RNA) where: Base-Base interactions energy: -390.109 where: short stacking energy: -231.192 Base-Backbone interact. energy: 7.795 local terms energy: -481.293803 where: bonds (distance) C4'-P energy: -128.742 bonds (distance) P-C4' energy: -150.729 flat angles C4'-P-C4' energy: -124.294 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3107.377851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.377851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.377851 (E_RNA) where: Base-Base interactions energy: -2117.748 where: short stacking energy: -967.104 Base-Backbone interact. energy: -3.894 local terms energy: -985.735829 where: bonds (distance) C4'-P energy: -177.342 bonds (distance) P-C4' energy: -177.573 flat angles C4'-P-C4' energy: -210.747 flat angles P-C4'-P energy: -146.896 tors. eta vs tors. theta energy: -273.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2969.402810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.402810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.402810 (E_RNA) where: Base-Base interactions energy: -2031.673 where: short stacking energy: -913.419 Base-Backbone interact. energy: -3.236 local terms energy: -934.494284 where: bonds (distance) C4'-P energy: -158.796 bonds (distance) P-C4' energy: -174.052 flat angles C4'-P-C4' energy: -200.284 flat angles P-C4'-P energy: -125.936 tors. eta vs tors. theta energy: -275.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2826.418254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.418254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.418254 (E_RNA) where: Base-Base interactions energy: -1912.175 where: short stacking energy: -861.445 Base-Backbone interact. energy: -3.717 local terms energy: -910.525890 where: bonds (distance) C4'-P energy: -170.253 bonds (distance) P-C4' energy: -162.040 flat angles C4'-P-C4' energy: -194.133 flat angles P-C4'-P energy: -125.612 tors. eta vs tors. theta energy: -258.488 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: 412 Temperature: 1.050000 Total energy: -2720.939874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.939874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.939874 (E_RNA) where: Base-Base interactions energy: -1854.628 where: short stacking energy: -813.150 Base-Backbone interact. energy: -7.425 local terms energy: -858.887184 where: bonds (distance) C4'-P energy: -152.218 bonds (distance) P-C4' energy: -175.190 flat angles C4'-P-C4' energy: -192.492 flat angles P-C4'-P energy: -120.413 tors. eta vs tors. theta energy: -218.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2551.840510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.840510 (E_RNA) where: Base-Base interactions energy: -1706.386 where: short stacking energy: -760.381 Base-Backbone interact. energy: 1.214 local terms energy: -846.668555 where: bonds (distance) C4'-P energy: -165.199 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -194.417 flat angles P-C4'-P energy: -115.019 tors. eta vs tors. theta energy: -210.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2343.064173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.064173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.064173 (E_RNA) where: Base-Base interactions energy: -1588.645 where: short stacking energy: -686.862 Base-Backbone interact. energy: 2.682 local terms energy: -757.101585 where: bonds (distance) C4'-P energy: -139.496 bonds (distance) P-C4' energy: -152.045 flat angles C4'-P-C4' energy: -169.357 flat angles P-C4'-P energy: -112.266 tors. eta vs tors. theta energy: -183.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2038.336357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.336357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.336357 (E_RNA) where: Base-Base interactions energy: -1305.949 where: short stacking energy: -599.601 Base-Backbone interact. energy: 6.720 local terms energy: -739.107396 where: bonds (distance) C4'-P energy: -155.378 bonds (distance) P-C4' energy: -170.228 flat angles C4'-P-C4' energy: -163.057 flat angles P-C4'-P energy: -112.133 tors. eta vs tors. theta energy: -138.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1513.227106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.227106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.227106 (E_RNA) where: Base-Base interactions energy: -949.949 where: short stacking energy: -456.503 Base-Backbone interact. energy: -4.230 local terms energy: -559.048022 where: bonds (distance) C4'-P energy: -122.778 bonds (distance) P-C4' energy: -138.015 flat angles C4'-P-C4' energy: -141.881 flat angles P-C4'-P energy: -87.063 tors. eta vs tors. theta energy: -69.311 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: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1168.999071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.999071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.999071 (E_RNA) where: Base-Base interactions energy: -640.506 where: short stacking energy: -353.676 Base-Backbone interact. energy: 1.524 local terms energy: -530.017188 where: bonds (distance) C4'-P energy: -145.042 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -144.024 flat angles P-C4'-P energy: -62.489 tors. eta vs tors. theta energy: -29.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -879.260164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.260164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.260164 (E_RNA) where: Base-Base interactions energy: -401.918 where: short stacking energy: -253.728 Base-Backbone interact. energy: -2.439 local terms energy: -474.903361 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -124.550 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: 27.811 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3117.098147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.098147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.098147 (E_RNA) where: Base-Base interactions energy: -2133.685 where: short stacking energy: -945.887 Base-Backbone interact. energy: -4.941 local terms energy: -978.471785 where: bonds (distance) C4'-P energy: -182.208 bonds (distance) P-C4' energy: -187.137 flat angles C4'-P-C4' energy: -190.568 flat angles P-C4'-P energy: -135.125 tors. eta vs tors. theta energy: -283.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2977.864619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.864619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.864619 (E_RNA) where: Base-Base interactions energy: -2023.568 where: short stacking energy: -915.511 Base-Backbone interact. energy: -1.859 local terms energy: -952.436826 where: bonds (distance) C4'-P energy: -175.256 bonds (distance) P-C4' energy: -164.226 flat angles C4'-P-C4' energy: -204.088 flat angles P-C4'-P energy: -139.560 tors. eta vs tors. theta energy: -269.307 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: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2783.486410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.486410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.486410 (E_RNA) where: Base-Base interactions energy: -1865.058 where: short stacking energy: -857.415 Base-Backbone interact. energy: -1.445 local terms energy: -916.983785 where: bonds (distance) C4'-P energy: -169.670 bonds (distance) P-C4' energy: -166.621 flat angles C4'-P-C4' energy: -191.729 flat angles P-C4'-P energy: -134.119 tors. eta vs tors. theta energy: -254.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2737.232556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.232556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.232556 (E_RNA) where: Base-Base interactions energy: -1869.912 where: short stacking energy: -800.357 Base-Backbone interact. energy: -2.706 local terms energy: -864.614531 where: bonds (distance) C4'-P energy: -175.124 bonds (distance) P-C4' energy: -179.503 flat angles C4'-P-C4' energy: -176.226 flat angles P-C4'-P energy: -127.167 tors. eta vs tors. theta energy: -206.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2515.681150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.681150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.681150 (E_RNA) where: Base-Base interactions energy: -1679.933 where: short stacking energy: -753.662 Base-Backbone interact. energy: 0.939 local terms energy: -836.687292 where: bonds (distance) C4'-P energy: -157.707 bonds (distance) P-C4' energy: -181.857 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -110.564 tors. eta vs tors. theta energy: -214.599 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: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2382.717073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.717073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.717073 (E_RNA) where: Base-Base interactions energy: -1600.120 where: short stacking energy: -701.215 Base-Backbone interact. energy: -1.376 local terms energy: -781.220389 where: bonds (distance) C4'-P energy: -153.181 bonds (distance) P-C4' energy: -147.177 flat angles C4'-P-C4' energy: -166.991 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -198.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2097.463923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.463923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.463923 (E_RNA) where: Base-Base interactions energy: -1388.996 where: short stacking energy: -657.104 Base-Backbone interact. energy: -1.933 local terms energy: -706.535174 where: bonds (distance) C4'-P energy: -145.366 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -150.923 flat angles P-C4'-P energy: -100.431 tors. eta vs tors. theta energy: -175.656 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: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1533.716840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.716840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.716840 (E_RNA) where: Base-Base interactions energy: -901.638 where: short stacking energy: -428.548 Base-Backbone interact. energy: -3.937 local terms energy: -628.141836 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -159.220 flat angles C4'-P-C4' energy: -161.534 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -73.841 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: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1123.348719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.348719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.348719 (E_RNA) where: Base-Base interactions energy: -611.055 where: short stacking energy: -312.096 Base-Backbone interact. energy: 2.598 local terms energy: -514.892530 where: bonds (distance) C4'-P energy: -145.785 bonds (distance) P-C4' energy: -130.335 flat angles C4'-P-C4' energy: -129.359 flat angles P-C4'-P energy: -79.113 tors. eta vs tors. theta energy: -30.300 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: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -855.106643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.106643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.106643 (E_RNA) where: Base-Base interactions energy: -335.336 where: short stacking energy: -237.368 Base-Backbone interact. energy: -2.074 local terms energy: -517.697224 where: bonds (distance) C4'-P energy: -144.739 bonds (distance) P-C4' energy: -145.810 flat angles C4'-P-C4' energy: -149.551 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: 13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3131.328842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.328842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.328842 (E_RNA) where: Base-Base interactions energy: -2156.307 where: short stacking energy: -963.832 Base-Backbone interact. energy: -4.521 local terms energy: -970.501162 where: bonds (distance) C4'-P energy: -171.285 bonds (distance) P-C4' energy: -188.389 flat angles C4'-P-C4' energy: -195.131 flat angles P-C4'-P energy: -129.768 tors. eta vs tors. theta energy: -285.928 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: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2958.224786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.224786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.224786 (E_RNA) where: Base-Base interactions energy: -2028.138 where: short stacking energy: -874.931 Base-Backbone interact. energy: -2.632 local terms energy: -927.454887 where: bonds (distance) C4'-P energy: -165.817 bonds (distance) P-C4' energy: -180.064 flat angles C4'-P-C4' energy: -191.737 flat angles P-C4'-P energy: -140.561 tors. eta vs tors. theta energy: -249.276 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2842.374568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.374568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.374568 (E_RNA) where: Base-Base interactions energy: -1987.889 where: short stacking energy: -870.436 Base-Backbone interact. energy: -3.951 local terms energy: -850.534017 where: bonds (distance) C4'-P energy: -170.841 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -184.823 flat angles P-C4'-P energy: -112.075 tors. eta vs tors. theta energy: -232.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2759.930745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.930745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.930745 (E_RNA) where: Base-Base interactions energy: -1875.444 where: short stacking energy: -843.256 Base-Backbone interact. energy: -1.168 local terms energy: -883.318612 where: bonds (distance) C4'-P energy: -165.126 bonds (distance) P-C4' energy: -159.103 flat angles C4'-P-C4' energy: -203.303 flat angles P-C4'-P energy: -116.970 tors. eta vs tors. theta energy: -238.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2520.007403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.007403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.007403 (E_RNA) where: Base-Base interactions energy: -1699.998 where: short stacking energy: -754.568 Base-Backbone interact. energy: -1.291 local terms energy: -818.718059 where: bonds (distance) C4'-P energy: -161.248 bonds (distance) P-C4' energy: -155.590 flat angles C4'-P-C4' energy: -179.196 flat angles P-C4'-P energy: -128.017 tors. eta vs tors. theta energy: -194.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2334.851965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.851965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.851965 (E_RNA) where: Base-Base interactions energy: -1593.571 where: short stacking energy: -702.683 Base-Backbone interact. energy: -2.556 local terms energy: -738.724883 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -137.850 flat angles C4'-P-C4' energy: -178.217 flat angles P-C4'-P energy: -106.429 tors. eta vs tors. theta energy: -167.005 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: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2093.903052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.903052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.903052 (E_RNA) where: Base-Base interactions energy: -1363.324 where: short stacking energy: -616.870 Base-Backbone interact. energy: 1.403 local terms energy: -731.982310 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -153.584 flat angles C4'-P-C4' energy: -176.787 flat angles P-C4'-P energy: -99.331 tors. eta vs tors. theta energy: -150.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1508.142674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.142674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.142674 (E_RNA) where: Base-Base interactions energy: -913.615 where: short stacking energy: -460.721 Base-Backbone interact. energy: 0.199 local terms energy: -594.726591 where: bonds (distance) C4'-P energy: -134.024 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -139.217 flat angles P-C4'-P energy: -104.650 tors. eta vs tors. theta energy: -80.605 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: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1129.766058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.766058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.766058 (E_RNA) where: Base-Base interactions energy: -638.137 where: short stacking energy: -346.531 Base-Backbone interact. energy: 4.792 local terms energy: -496.421621 where: bonds (distance) C4'-P energy: -131.491 bonds (distance) P-C4' energy: -124.660 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -97.277 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -870.097422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.097422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.097422 (E_RNA) where: Base-Base interactions energy: -412.865 where: short stacking energy: -243.075 Base-Backbone interact. energy: 2.334 local terms energy: -459.567189 where: bonds (distance) C4'-P energy: -143.617 bonds (distance) P-C4' energy: -150.526 flat angles C4'-P-C4' energy: -105.535 flat angles P-C4'-P energy: -70.135 tors. eta vs tors. theta energy: 10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3159.623599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.623599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.623599 (E_RNA) where: Base-Base interactions energy: -2198.218 where: short stacking energy: -983.410 Base-Backbone interact. energy: -7.346 local terms energy: -954.059369 where: bonds (distance) C4'-P energy: -164.549 bonds (distance) P-C4' energy: -181.376 flat angles C4'-P-C4' energy: -193.732 flat angles P-C4'-P energy: -137.337 tors. eta vs tors. theta energy: -277.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2990.501357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.501357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.501357 (E_RNA) where: Base-Base interactions energy: -2045.270 where: short stacking energy: -916.349 Base-Backbone interact. energy: -3.925 local terms energy: -941.306191 where: bonds (distance) C4'-P energy: -171.596 bonds (distance) P-C4' energy: -190.482 flat angles C4'-P-C4' energy: -198.783 flat angles P-C4'-P energy: -134.674 tors. eta vs tors. theta energy: -245.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2842.738633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.738633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.738633 (E_RNA) where: Base-Base interactions energy: -1958.495 where: short stacking energy: -882.216 Base-Backbone interact. energy: -0.345 local terms energy: -883.899012 where: bonds (distance) C4'-P energy: -184.849 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -187.250 flat angles P-C4'-P energy: -126.123 tors. eta vs tors. theta energy: -240.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2720.940627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.940627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.940627 (E_RNA) where: Base-Base interactions energy: -1887.096 where: short stacking energy: -819.688 Base-Backbone interact. energy: -2.787 local terms energy: -831.057369 where: bonds (distance) C4'-P energy: -156.029 bonds (distance) P-C4' energy: -155.086 flat angles C4'-P-C4' energy: -175.397 flat angles P-C4'-P energy: -122.554 tors. eta vs tors. theta energy: -221.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2534.869111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.869111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.869111 (E_RNA) where: Base-Base interactions energy: -1664.245 where: short stacking energy: -762.019 Base-Backbone interact. energy: -1.344 local terms energy: -869.279795 where: bonds (distance) C4'-P energy: -166.806 bonds (distance) P-C4' energy: -163.350 flat angles C4'-P-C4' energy: -193.517 flat angles P-C4'-P energy: -131.081 tors. eta vs tors. theta energy: -214.525 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: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2351.673580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.673580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.673580 (E_RNA) where: Base-Base interactions energy: -1597.847 where: short stacking energy: -683.716 Base-Backbone interact. energy: -6.013 local terms energy: -747.814011 where: bonds (distance) C4'-P energy: -146.124 bonds (distance) P-C4' energy: -162.212 flat angles C4'-P-C4' energy: -183.778 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -172.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2084.912998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.912998 (E_RNA) where: Base-Base interactions energy: -1372.692 where: short stacking energy: -637.694 Base-Backbone interact. energy: 1.219 local terms energy: -713.439565 where: bonds (distance) C4'-P energy: -133.463 bonds (distance) P-C4' energy: -150.986 flat angles C4'-P-C4' energy: -159.033 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -175.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1609.604270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.604270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.604270 (E_RNA) where: Base-Base interactions energy: -983.996 where: short stacking energy: -484.067 Base-Backbone interact. energy: 2.802 local terms energy: -628.409520 where: bonds (distance) C4'-P energy: -137.491 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -173.771 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -83.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1163.593804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.593804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.593804 (E_RNA) where: Base-Base interactions energy: -608.962 where: short stacking energy: -325.563 Base-Backbone interact. energy: 12.783 local terms energy: -567.414749 where: bonds (distance) C4'-P energy: -139.509 bonds (distance) P-C4' energy: -150.815 flat angles C4'-P-C4' energy: -146.626 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -25.397 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: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -850.283756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.283756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.283756 (E_RNA) where: Base-Base interactions energy: -374.017 where: short stacking energy: -252.323 Base-Backbone interact. energy: -0.794 local terms energy: -475.472136 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -168.393 flat angles C4'-P-C4' energy: -107.150 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: 10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3127.893460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.893460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.893460 (E_RNA) where: Base-Base interactions energy: -2134.742 where: short stacking energy: -966.777 Base-Backbone interact. energy: 4.585 local terms energy: -997.736078 where: bonds (distance) C4'-P energy: -185.852 bonds (distance) P-C4' energy: -185.892 flat angles C4'-P-C4' energy: -205.053 flat angles P-C4'-P energy: -138.048 tors. eta vs tors. theta energy: -282.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2963.923397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.923397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.923397 (E_RNA) where: Base-Base interactions energy: -2008.403 where: short stacking energy: -890.495 Base-Backbone interact. energy: -3.750 local terms energy: -951.770051 where: bonds (distance) C4'-P energy: -180.919 bonds (distance) P-C4' energy: -170.584 flat angles C4'-P-C4' energy: -200.939 flat angles P-C4'-P energy: -136.602 tors. eta vs tors. theta energy: -262.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2848.280545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.280545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.280545 (E_RNA) where: Base-Base interactions energy: -1983.744 where: short stacking energy: -875.389 Base-Backbone interact. energy: -1.191 local terms energy: -863.345857 where: bonds (distance) C4'-P energy: -160.228 bonds (distance) P-C4' energy: -160.744 flat angles C4'-P-C4' energy: -188.262 flat angles P-C4'-P energy: -125.211 tors. eta vs tors. theta energy: -228.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2767.114701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.114701 (E_RNA) where: Base-Base interactions energy: -1861.562 where: short stacking energy: -857.727 Base-Backbone interact. energy: -2.438 local terms energy: -903.114542 where: bonds (distance) C4'-P energy: -159.460 bonds (distance) P-C4' energy: -166.264 flat angles C4'-P-C4' energy: -193.107 flat angles P-C4'-P energy: -127.920 tors. eta vs tors. theta energy: -256.362 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: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2522.472630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.472630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.472630 (E_RNA) where: Base-Base interactions energy: -1702.646 where: short stacking energy: -780.818 Base-Backbone interact. energy: -1.699 local terms energy: -818.127520 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -170.031 flat angles C4'-P-C4' energy: -194.326 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -213.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2379.811284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.811284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.811284 (E_RNA) where: Base-Base interactions energy: -1597.386 where: short stacking energy: -710.577 Base-Backbone interact. energy: 1.346 local terms energy: -783.771681 where: bonds (distance) C4'-P energy: -147.912 bonds (distance) P-C4' energy: -149.932 flat angles C4'-P-C4' energy: -173.349 flat angles P-C4'-P energy: -120.649 tors. eta vs tors. theta energy: -191.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2074.554536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.554536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.554536 (E_RNA) where: Base-Base interactions energy: -1379.161 where: short stacking energy: -622.308 Base-Backbone interact. energy: -2.302 local terms energy: -693.091090 where: bonds (distance) C4'-P energy: -141.040 bonds (distance) P-C4' energy: -156.669 flat angles C4'-P-C4' energy: -162.487 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -142.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1570.312820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.312820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.312820 (E_RNA) where: Base-Base interactions energy: -985.534 where: short stacking energy: -452.225 Base-Backbone interact. energy: -1.681 local terms energy: -583.098095 where: bonds (distance) C4'-P energy: -160.905 bonds (distance) P-C4' energy: -155.629 flat angles C4'-P-C4' energy: -122.187 flat angles P-C4'-P energy: -84.214 tors. eta vs tors. theta energy: -60.163 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: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1170.332477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.332477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.332477 (E_RNA) where: Base-Base interactions energy: -639.966 where: short stacking energy: -360.846 Base-Backbone interact. energy: 3.849 local terms energy: -534.216272 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -162.726 flat angles C4'-P-C4' energy: -134.147 flat angles P-C4'-P energy: -86.995 tors. eta vs tors. theta energy: -19.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -908.719541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.719541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.719541 (E_RNA) where: Base-Base interactions energy: -436.090 where: short stacking energy: -262.537 Base-Backbone interact. energy: 1.530 local terms energy: -474.159210 where: bonds (distance) C4'-P energy: -128.078 bonds (distance) P-C4' energy: -151.368 flat angles C4'-P-C4' energy: -99.212 flat angles P-C4'-P energy: -85.647 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3136.236918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.236918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.236918 (E_RNA) where: Base-Base interactions energy: -2145.985 where: short stacking energy: -976.011 Base-Backbone interact. energy: -5.317 local terms energy: -984.934394 where: bonds (distance) C4'-P energy: -165.286 bonds (distance) P-C4' energy: -188.314 flat angles C4'-P-C4' energy: -219.717 flat angles P-C4'-P energy: -130.900 tors. eta vs tors. theta energy: -280.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2955.654300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.654300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.654300 (E_RNA) where: Base-Base interactions energy: -2010.216 where: short stacking energy: -888.816 Base-Backbone interact. energy: -1.534 local terms energy: -943.904328 where: bonds (distance) C4'-P energy: -174.421 bonds (distance) P-C4' energy: -183.124 flat angles C4'-P-C4' energy: -200.935 flat angles P-C4'-P energy: -129.440 tors. eta vs tors. theta energy: -255.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2882.396235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.396235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.396235 (E_RNA) where: Base-Base interactions energy: -1985.354 where: short stacking energy: -836.557 Base-Backbone interact. energy: -0.948 local terms energy: -896.094386 where: bonds (distance) C4'-P energy: -163.868 bonds (distance) P-C4' energy: -175.365 flat angles C4'-P-C4' energy: -201.816 flat angles P-C4'-P energy: -124.270 tors. eta vs tors. theta energy: -230.775 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: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2785.441956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.441956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.441956 (E_RNA) where: Base-Base interactions energy: -1926.311 where: short stacking energy: -827.693 Base-Backbone interact. energy: -4.495 local terms energy: -854.635526 where: bonds (distance) C4'-P energy: -139.615 bonds (distance) P-C4' energy: -177.073 flat angles C4'-P-C4' energy: -170.696 flat angles P-C4'-P energy: -125.566 tors. eta vs tors. theta energy: -241.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2558.954482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.954482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.954482 (E_RNA) where: Base-Base interactions energy: -1753.535 where: short stacking energy: -802.385 Base-Backbone interact. energy: -0.598 local terms energy: -804.822048 where: bonds (distance) C4'-P energy: -143.418 bonds (distance) P-C4' energy: -132.381 flat angles C4'-P-C4' energy: -189.274 flat angles P-C4'-P energy: -120.112 tors. eta vs tors. theta energy: -219.638 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: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2367.240395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.240395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.240395 (E_RNA) where: Base-Base interactions energy: -1567.756 where: short stacking energy: -690.706 Base-Backbone interact. energy: 1.660 local terms energy: -801.144067 where: bonds (distance) C4'-P energy: -166.643 bonds (distance) P-C4' energy: -156.228 flat angles C4'-P-C4' energy: -166.597 flat angles P-C4'-P energy: -108.695 tors. eta vs tors. theta energy: -202.981 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: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2131.910273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.910273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.910273 (E_RNA) where: Base-Base interactions energy: -1380.415 where: short stacking energy: -640.578 Base-Backbone interact. energy: -0.117 local terms energy: -751.377985 where: bonds (distance) C4'-P energy: -143.771 bonds (distance) P-C4' energy: -149.547 flat angles C4'-P-C4' energy: -182.677 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -165.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1592.804302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.804302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.804302 (E_RNA) where: Base-Base interactions energy: -976.751 where: short stacking energy: -461.368 Base-Backbone interact. energy: 0.046 local terms energy: -616.099453 where: bonds (distance) C4'-P energy: -151.728 bonds (distance) P-C4' energy: -164.135 flat angles C4'-P-C4' energy: -144.171 flat angles P-C4'-P energy: -71.105 tors. eta vs tors. theta energy: -84.959 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: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1191.925974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.925974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.925974 (E_RNA) where: Base-Base interactions energy: -678.044 where: short stacking energy: -393.243 Base-Backbone interact. energy: -1.362 local terms energy: -512.520636 where: bonds (distance) C4'-P energy: -146.561 bonds (distance) P-C4' energy: -145.598 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -68.691 tors. eta vs tors. theta energy: -18.212 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: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -951.780824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.780824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.780824 (E_RNA) where: Base-Base interactions energy: -461.504 where: short stacking energy: -266.762 Base-Backbone interact. energy: 1.846 local terms energy: -492.122999 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -143.234 flat angles C4'-P-C4' energy: -132.967 flat angles P-C4'-P energy: -65.359 tors. eta vs tors. theta energy: -5.930 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: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3125.563102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.563102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.563102 (E_RNA) where: Base-Base interactions energy: -2167.892 where: short stacking energy: -942.925 Base-Backbone interact. energy: 0.388 local terms energy: -958.058670 where: bonds (distance) C4'-P energy: -180.569 bonds (distance) P-C4' energy: -179.843 flat angles C4'-P-C4' energy: -198.856 flat angles P-C4'-P energy: -133.913 tors. eta vs tors. theta energy: -264.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2995.980071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.980071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.980071 (E_RNA) where: Base-Base interactions energy: -2038.214 where: short stacking energy: -908.313 Base-Backbone interact. energy: -3.468 local terms energy: -954.298780 where: bonds (distance) C4'-P energy: -181.372 bonds (distance) P-C4' energy: -186.512 flat angles C4'-P-C4' energy: -198.949 flat angles P-C4'-P energy: -121.331 tors. eta vs tors. theta energy: -266.135 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: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2829.825312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.825312 (E_RNA) where: Base-Base interactions energy: -1956.452 where: short stacking energy: -868.014 Base-Backbone interact. energy: -1.799 local terms energy: -871.575004 where: bonds (distance) C4'-P energy: -167.211 bonds (distance) P-C4' energy: -156.822 flat angles C4'-P-C4' energy: -185.278 flat angles P-C4'-P energy: -138.647 tors. eta vs tors. theta energy: -223.617 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: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2801.974350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.974350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.974350 (E_RNA) where: Base-Base interactions energy: -1893.092 where: short stacking energy: -841.627 Base-Backbone interact. energy: -2.916 local terms energy: -905.966133 where: bonds (distance) C4'-P energy: -170.541 bonds (distance) P-C4' energy: -169.635 flat angles C4'-P-C4' energy: -202.399 flat angles P-C4'-P energy: -121.056 tors. eta vs tors. theta energy: -242.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2560.743024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.743024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.743024 (E_RNA) where: Base-Base interactions energy: -1696.133 where: short stacking energy: -769.190 Base-Backbone interact. energy: -3.432 local terms energy: -861.177734 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -159.737 flat angles C4'-P-C4' energy: -193.596 flat angles P-C4'-P energy: -119.514 tors. eta vs tors. theta energy: -229.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2326.836207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.836207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.836207 (E_RNA) where: Base-Base interactions energy: -1554.303 where: short stacking energy: -648.373 Base-Backbone interact. energy: -0.233 local terms energy: -772.299736 where: bonds (distance) C4'-P energy: -166.023 bonds (distance) P-C4' energy: -157.194 flat angles C4'-P-C4' energy: -167.974 flat angles P-C4'-P energy: -105.524 tors. eta vs tors. theta energy: -175.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2079.425806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.425806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.425806 (E_RNA) where: Base-Base interactions energy: -1375.678 where: short stacking energy: -635.493 Base-Backbone interact. energy: -0.643 local terms energy: -703.104176 where: bonds (distance) C4'-P energy: -127.132 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -153.647 flat angles P-C4'-P energy: -115.148 tors. eta vs tors. theta energy: -151.935 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: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1523.226564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.226564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.226564 (E_RNA) where: Base-Base interactions energy: -921.801 where: short stacking energy: -422.111 Base-Backbone interact. energy: 6.639 local terms energy: -608.064714 where: bonds (distance) C4'-P energy: -138.114 bonds (distance) P-C4' energy: -165.284 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -96.149 tors. eta vs tors. theta energy: -58.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1190.441872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.441872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.441872 (E_RNA) where: Base-Base interactions energy: -624.364 where: short stacking energy: -338.345 Base-Backbone interact. energy: -2.202 local terms energy: -563.876320 where: bonds (distance) C4'-P energy: -153.454 bonds (distance) P-C4' energy: -156.635 flat angles C4'-P-C4' energy: -138.550 flat angles P-C4'-P energy: -78.575 tors. eta vs tors. theta energy: -36.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -856.412095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.412095 (E_RNA) where: Base-Base interactions energy: -361.803 where: short stacking energy: -234.909 Base-Backbone interact. energy: 2.208 local terms energy: -496.817426 where: bonds (distance) C4'-P energy: -140.181 bonds (distance) P-C4' energy: -138.384 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3102.915606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.915606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.915606 (E_RNA) where: Base-Base interactions energy: -2144.399 where: short stacking energy: -960.692 Base-Backbone interact. energy: -3.185 local terms energy: -955.331772 where: bonds (distance) C4'-P energy: -177.326 bonds (distance) P-C4' energy: -172.643 flat angles C4'-P-C4' energy: -212.447 flat angles P-C4'-P energy: -128.169 tors. eta vs tors. theta energy: -264.747 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: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2985.306255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.306255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.306255 (E_RNA) where: Base-Base interactions energy: -2036.520 where: short stacking energy: -916.769 Base-Backbone interact. energy: 1.591 local terms energy: -950.377259 where: bonds (distance) C4'-P energy: -166.043 bonds (distance) P-C4' energy: -174.835 flat angles C4'-P-C4' energy: -201.896 flat angles P-C4'-P energy: -145.571 tors. eta vs tors. theta energy: -262.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2819.683097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.683097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.683097 (E_RNA) where: Base-Base interactions energy: -1930.120 where: short stacking energy: -850.730 Base-Backbone interact. energy: -4.256 local terms energy: -885.306321 where: bonds (distance) C4'-P energy: -161.923 bonds (distance) P-C4' energy: -174.987 flat angles C4'-P-C4' energy: -193.073 flat angles P-C4'-P energy: -127.314 tors. eta vs tors. theta energy: -228.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2778.613796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.613796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.613796 (E_RNA) where: Base-Base interactions energy: -1904.132 where: short stacking energy: -847.058 Base-Backbone interact. energy: -3.196 local terms energy: -871.286104 where: bonds (distance) C4'-P energy: -154.688 bonds (distance) P-C4' energy: -171.846 flat angles C4'-P-C4' energy: -171.458 flat angles P-C4'-P energy: -118.342 tors. eta vs tors. theta energy: -254.952 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2554.548881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.548881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.548881 (E_RNA) where: Base-Base interactions energy: -1729.515 where: short stacking energy: -775.484 Base-Backbone interact. energy: -0.815 local terms energy: -824.218938 where: bonds (distance) C4'-P energy: -151.676 bonds (distance) P-C4' energy: -170.083 flat angles C4'-P-C4' energy: -173.278 flat angles P-C4'-P energy: -126.620 tors. eta vs tors. theta energy: -202.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2315.007560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.007560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.007560 (E_RNA) where: Base-Base interactions energy: -1556.652 where: short stacking energy: -666.366 Base-Backbone interact. energy: -4.595 local terms energy: -753.761170 where: bonds (distance) C4'-P energy: -149.282 bonds (distance) P-C4' energy: -174.474 flat angles C4'-P-C4' energy: -164.281 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -164.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2061.185083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.185083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.185083 (E_RNA) where: Base-Base interactions energy: -1348.648 where: short stacking energy: -621.156 Base-Backbone interact. energy: -0.040 local terms energy: -712.496632 where: bonds (distance) C4'-P energy: -127.156 bonds (distance) P-C4' energy: -155.526 flat angles C4'-P-C4' energy: -181.436 flat angles P-C4'-P energy: -95.456 tors. eta vs tors. theta energy: -152.922 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: 419 Temperature: 1.250000 Total energy: -1681.779288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.779288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.779288 (E_RNA) where: Base-Base interactions energy: -1044.731 where: short stacking energy: -483.375 Base-Backbone interact. energy: 3.583 local terms energy: -640.631359 where: bonds (distance) C4'-P energy: -156.370 bonds (distance) P-C4' energy: -160.985 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -99.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1144.669792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.669792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.669792 (E_RNA) where: Base-Base interactions energy: -647.528 where: short stacking energy: -351.437 Base-Backbone interact. energy: 1.334 local terms energy: -498.476180 where: bonds (distance) C4'-P energy: -136.139 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -113.943 flat angles P-C4'-P energy: -75.304 tors. eta vs tors. theta energy: -28.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -885.710617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.710617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.710617 (E_RNA) where: Base-Base interactions energy: -390.357 where: short stacking energy: -245.866 Base-Backbone interact. energy: -1.097 local terms energy: -494.256026 where: bonds (distance) C4'-P energy: -149.456 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -114.506 flat angles P-C4'-P energy: -95.694 tors. eta vs tors. theta energy: -5.936 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: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3094.089701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.089701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.089701 (E_RNA) where: Base-Base interactions energy: -2115.260 where: short stacking energy: -938.254 Base-Backbone interact. energy: -3.700 local terms energy: -975.130637 where: bonds (distance) C4'-P energy: -173.462 bonds (distance) P-C4' energy: -185.164 flat angles C4'-P-C4' energy: -205.548 flat angles P-C4'-P energy: -140.941 tors. eta vs tors. theta energy: -270.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2956.389117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.389117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.389117 (E_RNA) where: Base-Base interactions energy: -2030.172 where: short stacking energy: -899.670 Base-Backbone interact. energy: -3.081 local terms energy: -923.136115 where: bonds (distance) C4'-P energy: -185.896 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -187.220 flat angles P-C4'-P energy: -128.865 tors. eta vs tors. theta energy: -261.011 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: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2828.433130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.433130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.433130 (E_RNA) where: Base-Base interactions energy: -1936.548 where: short stacking energy: -870.562 Base-Backbone interact. energy: -2.927 local terms energy: -888.958617 where: bonds (distance) C4'-P energy: -172.095 bonds (distance) P-C4' energy: -167.600 flat angles C4'-P-C4' energy: -196.996 flat angles P-C4'-P energy: -113.580 tors. eta vs tors. theta energy: -238.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2778.145180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.145180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.145180 (E_RNA) where: Base-Base interactions energy: -1891.589 where: short stacking energy: -843.007 Base-Backbone interact. energy: -2.903 local terms energy: -883.652582 where: bonds (distance) C4'-P energy: -158.460 bonds (distance) P-C4' energy: -180.295 flat angles C4'-P-C4' energy: -187.730 flat angles P-C4'-P energy: -121.553 tors. eta vs tors. theta energy: -235.615 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: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2537.342885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.342885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.342885 (E_RNA) where: Base-Base interactions energy: -1693.177 where: short stacking energy: -781.918 Base-Backbone interact. energy: 0.040 local terms energy: -844.206108 where: bonds (distance) C4'-P energy: -156.944 bonds (distance) P-C4' energy: -163.757 flat angles C4'-P-C4' energy: -175.357 flat angles P-C4'-P energy: -125.947 tors. eta vs tors. theta energy: -222.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2353.513923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.513923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.513923 (E_RNA) where: Base-Base interactions energy: -1580.591 where: short stacking energy: -694.779 Base-Backbone interact. energy: -1.737 local terms energy: -771.185600 where: bonds (distance) C4'-P energy: -148.386 bonds (distance) P-C4' energy: -147.387 flat angles C4'-P-C4' energy: -183.073 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -179.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2017.155726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.155726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.155726 (E_RNA) where: Base-Base interactions energy: -1298.651 where: short stacking energy: -575.412 Base-Backbone interact. energy: -1.061 local terms energy: -717.444174 where: bonds (distance) C4'-P energy: -153.956 bonds (distance) P-C4' energy: -162.249 flat angles C4'-P-C4' energy: -157.628 flat angles P-C4'-P energy: -110.272 tors. eta vs tors. theta energy: -133.339 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: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1561.269422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.269422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.269422 (E_RNA) where: Base-Base interactions energy: -942.819 where: short stacking energy: -471.532 Base-Backbone interact. energy: -4.067 local terms energy: -614.383341 where: bonds (distance) C4'-P energy: -141.993 bonds (distance) P-C4' energy: -162.753 flat angles C4'-P-C4' energy: -144.333 flat angles P-C4'-P energy: -83.281 tors. eta vs tors. theta energy: -82.024 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: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1157.582803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.582803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.582803 (E_RNA) where: Base-Base interactions energy: -624.935 where: short stacking energy: -346.692 Base-Backbone interact. energy: -2.030 local terms energy: -530.618123 where: bonds (distance) C4'-P energy: -151.986 bonds (distance) P-C4' energy: -136.884 flat angles C4'-P-C4' energy: -138.165 flat angles P-C4'-P energy: -82.875 tors. eta vs tors. theta energy: -20.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -923.174727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.174727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.174727 (E_RNA) where: Base-Base interactions energy: -457.211 where: short stacking energy: -275.627 Base-Backbone interact. energy: -1.173 local terms energy: -464.790601 where: bonds (distance) C4'-P energy: -133.668 bonds (distance) P-C4' energy: -162.591 flat angles C4'-P-C4' energy: -99.155 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -9.796 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: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3137.240096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.240096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.240096 (E_RNA) where: Base-Base interactions energy: -2172.897 where: short stacking energy: -961.264 Base-Backbone interact. energy: 0.723 local terms energy: -965.066151 where: bonds (distance) C4'-P energy: -173.128 bonds (distance) P-C4' energy: -159.060 flat angles C4'-P-C4' energy: -214.468 flat angles P-C4'-P energy: -140.092 tors. eta vs tors. theta energy: -278.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2985.884571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.884571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.884571 (E_RNA) where: Base-Base interactions energy: -2005.691 where: short stacking energy: -916.219 Base-Backbone interact. energy: -5.517 local terms energy: -974.676158 where: bonds (distance) C4'-P energy: -178.867 bonds (distance) P-C4' energy: -168.861 flat angles C4'-P-C4' energy: -202.755 flat angles P-C4'-P energy: -141.240 tors. eta vs tors. theta energy: -282.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2853.514657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.514657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.514657 (E_RNA) where: Base-Base interactions energy: -1967.446 where: short stacking energy: -826.830 Base-Backbone interact. energy: -4.353 local terms energy: -881.715982 where: bonds (distance) C4'-P energy: -185.132 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -186.938 flat angles P-C4'-P energy: -128.028 tors. eta vs tors. theta energy: -214.738 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: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2754.806740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.806740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.806740 (E_RNA) where: Base-Base interactions energy: -1858.005 where: short stacking energy: -853.064 Base-Backbone interact. energy: 0.764 local terms energy: -897.565625 where: bonds (distance) C4'-P energy: -165.811 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -199.990 flat angles P-C4'-P energy: -127.088 tors. eta vs tors. theta energy: -255.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2553.151212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.151212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.151212 (E_RNA) where: Base-Base interactions energy: -1714.908 where: short stacking energy: -782.251 Base-Backbone interact. energy: -2.373 local terms energy: -835.869785 where: bonds (distance) C4'-P energy: -148.967 bonds (distance) P-C4' energy: -165.559 flat angles C4'-P-C4' energy: -191.482 flat angles P-C4'-P energy: -102.160 tors. eta vs tors. theta energy: -227.701 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: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2324.305016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.305016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.305016 (E_RNA) where: Base-Base interactions energy: -1555.483 where: short stacking energy: -695.100 Base-Backbone interact. energy: -1.303 local terms energy: -767.519088 where: bonds (distance) C4'-P energy: -158.880 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -157.037 flat angles P-C4'-P energy: -108.763 tors. eta vs tors. theta energy: -194.591 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: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2026.898071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.898071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.898071 (E_RNA) where: Base-Base interactions energy: -1348.443 where: short stacking energy: -623.908 Base-Backbone interact. energy: 0.457 local terms energy: -678.912457 where: bonds (distance) C4'-P energy: -127.691 bonds (distance) P-C4' energy: -153.483 flat angles C4'-P-C4' energy: -162.814 flat angles P-C4'-P energy: -103.067 tors. eta vs tors. theta energy: -131.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1536.046627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.046627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.046627 (E_RNA) where: Base-Base interactions energy: -953.013 where: short stacking energy: -455.381 Base-Backbone interact. energy: -6.013 local terms energy: -577.019948 where: bonds (distance) C4'-P energy: -141.940 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -132.714 flat angles P-C4'-P energy: -97.058 tors. eta vs tors. theta energy: -65.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1159.343483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.343483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.343483 (E_RNA) where: Base-Base interactions energy: -630.129 where: short stacking energy: -333.464 Base-Backbone interact. energy: 2.926 local terms energy: -532.140845 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -129.156 flat angles P-C4'-P energy: -100.318 tors. eta vs tors. theta energy: -35.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -943.987890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.987890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.987890 (E_RNA) where: Base-Base interactions energy: -476.180 where: short stacking energy: -289.611 Base-Backbone interact. energy: 7.795 local terms energy: -475.602471 where: bonds (distance) C4'-P energy: -134.555 bonds (distance) P-C4' energy: -131.892 flat angles C4'-P-C4' energy: -135.108 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: 2.543 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: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3132.348654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.348654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.348654 (E_RNA) where: Base-Base interactions energy: -2138.183 where: short stacking energy: -956.395 Base-Backbone interact. energy: -1.089 local terms energy: -993.077062 where: bonds (distance) C4'-P energy: -187.717 bonds (distance) P-C4' energy: -177.217 flat angles C4'-P-C4' energy: -211.777 flat angles P-C4'-P energy: -140.920 tors. eta vs tors. theta energy: -275.445 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: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2980.863409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.863409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.863409 (E_RNA) where: Base-Base interactions energy: -2025.190 where: short stacking energy: -901.650 Base-Backbone interact. energy: -0.165 local terms energy: -955.508498 where: bonds (distance) C4'-P energy: -179.723 bonds (distance) P-C4' energy: -182.914 flat angles C4'-P-C4' energy: -196.131 flat angles P-C4'-P energy: -128.733 tors. eta vs tors. theta energy: -268.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2786.331102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.331102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.331102 (E_RNA) where: Base-Base interactions energy: -1942.627 where: short stacking energy: -863.061 Base-Backbone interact. energy: 6.790 local terms energy: -850.494028 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -158.533 flat angles C4'-P-C4' energy: -192.842 flat angles P-C4'-P energy: -126.898 tors. eta vs tors. theta energy: -227.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2731.666951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.666951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.666951 (E_RNA) where: Base-Base interactions energy: -1873.243 where: short stacking energy: -840.366 Base-Backbone interact. energy: -2.316 local terms energy: -856.108050 where: bonds (distance) C4'-P energy: -158.073 bonds (distance) P-C4' energy: -156.739 flat angles C4'-P-C4' energy: -190.365 flat angles P-C4'-P energy: -107.418 tors. eta vs tors. theta energy: -243.512 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: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2520.718328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.718328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.718328 (E_RNA) where: Base-Base interactions energy: -1695.365 where: short stacking energy: -785.875 Base-Backbone interact. energy: 0.269 local terms energy: -825.623037 where: bonds (distance) C4'-P energy: -144.829 bonds (distance) P-C4' energy: -177.237 flat angles C4'-P-C4' energy: -182.266 flat angles P-C4'-P energy: -116.725 tors. eta vs tors. theta energy: -204.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2360.062538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.062538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.062538 (E_RNA) where: Base-Base interactions energy: -1607.767 where: short stacking energy: -667.341 Base-Backbone interact. energy: -2.773 local terms energy: -749.523094 where: bonds (distance) C4'-P energy: -159.060 bonds (distance) P-C4' energy: -160.668 flat angles C4'-P-C4' energy: -150.217 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -175.262 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: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2096.469855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.469855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.469855 (E_RNA) where: Base-Base interactions energy: -1414.450 where: short stacking energy: -620.663 Base-Backbone interact. energy: 0.107 local terms energy: -682.126714 where: bonds (distance) C4'-P energy: -121.913 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -157.358 flat angles P-C4'-P energy: -109.788 tors. eta vs tors. theta energy: -151.233 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: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1597.198882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.198882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.198882 (E_RNA) where: Base-Base interactions energy: -945.843 where: short stacking energy: -457.166 Base-Backbone interact. energy: -1.143 local terms energy: -650.212281 where: bonds (distance) C4'-P energy: -147.176 bonds (distance) P-C4' energy: -153.714 flat angles C4'-P-C4' energy: -153.994 flat angles P-C4'-P energy: -106.723 tors. eta vs tors. theta energy: -88.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1149.174236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.174236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.174236 (E_RNA) where: Base-Base interactions energy: -630.174 where: short stacking energy: -323.124 Base-Backbone interact. energy: -2.303 local terms energy: -516.696947 where: bonds (distance) C4'-P energy: -138.671 bonds (distance) P-C4' energy: -164.793 flat angles C4'-P-C4' energy: -140.879 flat angles P-C4'-P energy: -65.975 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -939.904747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.904747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.904747 (E_RNA) where: Base-Base interactions energy: -498.312 where: short stacking energy: -280.937 Base-Backbone interact. energy: 8.467 local terms energy: -450.060084 where: bonds (distance) C4'-P energy: -152.059 bonds (distance) P-C4' energy: -132.946 flat angles C4'-P-C4' energy: -100.682 flat angles P-C4'-P energy: -68.882 tors. eta vs tors. theta energy: 4.508 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: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3144.609387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.609387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.609387 (E_RNA) where: Base-Base interactions energy: -2184.807 where: short stacking energy: -970.171 Base-Backbone interact. energy: -4.408 local terms energy: -955.394413 where: bonds (distance) C4'-P energy: -180.183 bonds (distance) P-C4' energy: -176.972 flat angles C4'-P-C4' energy: -195.183 flat angles P-C4'-P energy: -135.224 tors. eta vs tors. theta energy: -267.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2990.306372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.306372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.306372 (E_RNA) where: Base-Base interactions energy: -2053.208 where: short stacking energy: -906.070 Base-Backbone interact. energy: -2.853 local terms energy: -934.245528 where: bonds (distance) C4'-P energy: -173.597 bonds (distance) P-C4' energy: -180.561 flat angles C4'-P-C4' energy: -191.945 flat angles P-C4'-P energy: -121.516 tors. eta vs tors. theta energy: -266.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2833.089258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.089258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.089258 (E_RNA) where: Base-Base interactions energy: -1950.554 where: short stacking energy: -852.474 Base-Backbone interact. energy: -2.004 local terms energy: -880.531364 where: bonds (distance) C4'-P energy: -163.504 bonds (distance) P-C4' energy: -165.214 flat angles C4'-P-C4' energy: -189.918 flat angles P-C4'-P energy: -130.137 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: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2800.033760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.033760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.033760 (E_RNA) where: Base-Base interactions energy: -1917.941 where: short stacking energy: -841.814 Base-Backbone interact. energy: 4.169 local terms energy: -886.262382 where: bonds (distance) C4'-P energy: -153.174 bonds (distance) P-C4' energy: -165.969 flat angles C4'-P-C4' energy: -201.055 flat angles P-C4'-P energy: -126.178 tors. eta vs tors. theta energy: -239.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2519.534743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.534743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.534743 (E_RNA) where: Base-Base interactions energy: -1690.018 where: short stacking energy: -752.885 Base-Backbone interact. energy: -2.380 local terms energy: -827.136312 where: bonds (distance) C4'-P energy: -170.679 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -181.942 flat angles P-C4'-P energy: -114.530 tors. eta vs tors. theta energy: -210.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2309.727869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.727869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.727869 (E_RNA) where: Base-Base interactions energy: -1592.282 where: short stacking energy: -679.606 Base-Backbone interact. energy: -4.674 local terms energy: -712.771606 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -149.246 flat angles C4'-P-C4' energy: -165.583 flat angles P-C4'-P energy: -83.105 tors. eta vs tors. theta energy: -166.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2012.865143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.865143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.865143 (E_RNA) where: Base-Base interactions energy: -1308.656 where: short stacking energy: -597.024 Base-Backbone interact. energy: 2.159 local terms energy: -706.368099 where: bonds (distance) C4'-P energy: -140.596 bonds (distance) P-C4' energy: -159.417 flat angles C4'-P-C4' energy: -166.627 flat angles P-C4'-P energy: -101.107 tors. eta vs tors. theta energy: -138.621 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: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1596.905760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.905760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.905760 (E_RNA) where: Base-Base interactions energy: -981.933 where: short stacking energy: -462.178 Base-Backbone interact. energy: 1.714 local terms energy: -616.687212 where: bonds (distance) C4'-P energy: -139.442 bonds (distance) P-C4' energy: -145.514 flat angles C4'-P-C4' energy: -140.062 flat angles P-C4'-P energy: -98.849 tors. eta vs tors. theta energy: -92.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1151.172611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.172611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.172611 (E_RNA) where: Base-Base interactions energy: -645.588 where: short stacking energy: -330.970 Base-Backbone interact. energy: 7.595 local terms energy: -513.179493 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -153.773 flat angles C4'-P-C4' energy: -135.487 flat angles P-C4'-P energy: -65.074 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -961.451305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.451305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.451305 (E_RNA) where: Base-Base interactions energy: -519.461 where: short stacking energy: -303.657 Base-Backbone interact. energy: 0.305 local terms energy: -442.295979 where: bonds (distance) C4'-P energy: -144.578 bonds (distance) P-C4' energy: -147.054 flat angles C4'-P-C4' energy: -100.537 flat angles P-C4'-P energy: -61.779 tors. eta vs tors. theta energy: 11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3114.700631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.700631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.700631 (E_RNA) where: Base-Base interactions energy: -2150.002 where: short stacking energy: -957.237 Base-Backbone interact. energy: -0.079 local terms energy: -964.619346 where: bonds (distance) C4'-P energy: -170.777 bonds (distance) P-C4' energy: -173.462 flat angles C4'-P-C4' energy: -199.734 flat angles P-C4'-P energy: -149.870 tors. eta vs tors. theta energy: -270.777 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: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2972.603805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.603805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.603805 (E_RNA) where: Base-Base interactions energy: -2013.057 where: short stacking energy: -905.704 Base-Backbone interact. energy: -3.073 local terms energy: -956.473814 where: bonds (distance) C4'-P energy: -168.672 bonds (distance) P-C4' energy: -191.983 flat angles C4'-P-C4' energy: -204.359 flat angles P-C4'-P energy: -130.777 tors. eta vs tors. theta energy: -260.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2807.758959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.758959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.758959 (E_RNA) where: Base-Base interactions energy: -1916.724 where: short stacking energy: -861.186 Base-Backbone interact. energy: -3.647 local terms energy: -887.388036 where: bonds (distance) C4'-P energy: -157.875 bonds (distance) P-C4' energy: -168.167 flat angles C4'-P-C4' energy: -189.898 flat angles P-C4'-P energy: -138.267 tors. eta vs tors. theta energy: -233.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2805.354118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.354118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.354118 (E_RNA) where: Base-Base interactions energy: -1907.687 where: short stacking energy: -832.673 Base-Backbone interact. energy: 0.969 local terms energy: -898.636199 where: bonds (distance) C4'-P energy: -168.067 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -185.648 flat angles P-C4'-P energy: -126.118 tors. eta vs tors. theta energy: -253.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2523.936817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.936817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.936817 (E_RNA) where: Base-Base interactions energy: -1688.942 where: short stacking energy: -749.137 Base-Backbone interact. energy: -3.265 local terms energy: -831.730327 where: bonds (distance) C4'-P energy: -145.846 bonds (distance) P-C4' energy: -170.638 flat angles C4'-P-C4' energy: -184.685 flat angles P-C4'-P energy: -126.140 tors. eta vs tors. theta energy: -204.422 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: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2349.725554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.725554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.725554 (E_RNA) where: Base-Base interactions energy: -1621.424 where: short stacking energy: -714.611 Base-Backbone interact. energy: 1.947 local terms energy: -730.248678 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -147.999 flat angles C4'-P-C4' energy: -172.226 flat angles P-C4'-P energy: -100.305 tors. eta vs tors. theta energy: -171.966 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: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2052.716640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.716640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.716640 (E_RNA) where: Base-Base interactions energy: -1307.329 where: short stacking energy: -592.372 Base-Backbone interact. energy: -2.899 local terms energy: -742.488720 where: bonds (distance) C4'-P energy: -151.795 bonds (distance) P-C4' energy: -165.788 flat angles C4'-P-C4' energy: -171.073 flat angles P-C4'-P energy: -91.690 tors. eta vs tors. theta energy: -162.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1607.537098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.537098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.537098 (E_RNA) where: Base-Base interactions energy: -995.424 where: short stacking energy: -439.781 Base-Backbone interact. energy: 2.593 local terms energy: -614.705486 where: bonds (distance) C4'-P energy: -159.744 bonds (distance) P-C4' energy: -154.620 flat angles C4'-P-C4' energy: -140.161 flat angles P-C4'-P energy: -87.046 tors. eta vs tors. theta energy: -73.134 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: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1148.339846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.339846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.339846 (E_RNA) where: Base-Base interactions energy: -607.214 where: short stacking energy: -326.342 Base-Backbone interact. energy: -0.906 local terms energy: -540.220285 where: bonds (distance) C4'-P energy: -128.535 bonds (distance) P-C4' energy: -145.404 flat angles C4'-P-C4' energy: -128.489 flat angles P-C4'-P energy: -103.667 tors. eta vs tors. theta energy: -34.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -884.771245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.771245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.771245 (E_RNA) where: Base-Base interactions energy: -421.141 where: short stacking energy: -225.834 Base-Backbone interact. energy: -1.124 local terms energy: -462.506718 where: bonds (distance) C4'-P energy: -123.074 bonds (distance) P-C4' energy: -148.003 flat angles C4'-P-C4' energy: -139.981 flat angles P-C4'-P energy: -55.430 tors. eta vs tors. theta energy: 3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3163.863664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.863664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.863664 (E_RNA) where: Base-Base interactions energy: -2193.666 where: short stacking energy: -991.455 Base-Backbone interact. energy: -3.974 local terms energy: -966.223373 where: bonds (distance) C4'-P energy: -174.107 bonds (distance) P-C4' energy: -170.261 flat angles C4'-P-C4' energy: -204.249 flat angles P-C4'-P energy: -139.210 tors. eta vs tors. theta energy: -278.395 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: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2995.925492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.925492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.925492 (E_RNA) where: Base-Base interactions energy: -2056.656 where: short stacking energy: -925.044 Base-Backbone interact. energy: -4.788 local terms energy: -934.481753 where: bonds (distance) C4'-P energy: -165.620 bonds (distance) P-C4' energy: -179.505 flat angles C4'-P-C4' energy: -195.625 flat angles P-C4'-P energy: -130.743 tors. eta vs tors. theta energy: -262.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2810.480805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.480805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.480805 (E_RNA) where: Base-Base interactions energy: -1942.718 where: short stacking energy: -861.898 Base-Backbone interact. energy: -0.814 local terms energy: -866.948466 where: bonds (distance) C4'-P energy: -159.389 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -187.266 flat angles P-C4'-P energy: -126.579 tors. eta vs tors. theta energy: -239.446 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: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2802.958981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.958981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.958981 (E_RNA) where: Base-Base interactions energy: -1894.907 where: short stacking energy: -858.705 Base-Backbone interact. energy: 4.301 local terms energy: -912.352574 where: bonds (distance) C4'-P energy: -158.935 bonds (distance) P-C4' energy: -172.389 flat angles C4'-P-C4' energy: -196.449 flat angles P-C4'-P energy: -136.851 tors. eta vs tors. theta energy: -247.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2520.039121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.039121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.039121 (E_RNA) where: Base-Base interactions energy: -1717.341 where: short stacking energy: -756.603 Base-Backbone interact. energy: -2.594 local terms energy: -800.104005 where: bonds (distance) C4'-P energy: -146.445 bonds (distance) P-C4' energy: -148.455 flat angles C4'-P-C4' energy: -186.137 flat angles P-C4'-P energy: -119.505 tors. eta vs tors. theta energy: -199.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2360.355702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.355702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.355702 (E_RNA) where: Base-Base interactions energy: -1601.814 where: short stacking energy: -737.972 Base-Backbone interact. energy: -1.943 local terms energy: -756.598301 where: bonds (distance) C4'-P energy: -137.413 bonds (distance) P-C4' energy: -153.150 flat angles C4'-P-C4' energy: -168.525 flat angles P-C4'-P energy: -112.451 tors. eta vs tors. theta energy: -185.059 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1948.850779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.850779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.850779 (E_RNA) where: Base-Base interactions energy: -1250.611 where: short stacking energy: -579.543 Base-Backbone interact. energy: -2.296 local terms energy: -695.943867 where: bonds (distance) C4'-P energy: -141.292 bonds (distance) P-C4' energy: -141.083 flat angles C4'-P-C4' energy: -163.617 flat angles P-C4'-P energy: -113.673 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: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1561.415104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.415104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.415104 (E_RNA) where: Base-Base interactions energy: -958.889 where: short stacking energy: -451.555 Base-Backbone interact. energy: 5.114 local terms energy: -607.640107 where: bonds (distance) C4'-P energy: -139.763 bonds (distance) P-C4' energy: -140.551 flat angles C4'-P-C4' energy: -143.449 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -84.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1205.226937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.226937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.226937 (E_RNA) where: Base-Base interactions energy: -674.720 where: short stacking energy: -350.282 Base-Backbone interact. energy: -2.583 local terms energy: -527.923735 where: bonds (distance) C4'-P energy: -136.624 bonds (distance) P-C4' energy: -155.141 flat angles C4'-P-C4' energy: -126.672 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -28.374 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -819.014831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.014831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.014831 (E_RNA) where: Base-Base interactions energy: -363.559 where: short stacking energy: -278.010 Base-Backbone interact. energy: 5.205 local terms energy: -460.660695 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -170.188 flat angles C4'-P-C4' energy: -106.000 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: 21.232 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: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3140.724988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.724988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.724988 (E_RNA) where: Base-Base interactions energy: -2165.558 where: short stacking energy: -951.395 Base-Backbone interact. energy: -7.430 local terms energy: -967.737400 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -185.894 flat angles C4'-P-C4' energy: -215.416 flat angles P-C4'-P energy: -135.257 tors. eta vs tors. theta energy: -274.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3017.820903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.820903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.820903 (E_RNA) where: Base-Base interactions energy: -2056.703 where: short stacking energy: -917.911 Base-Backbone interact. energy: -3.359 local terms energy: -957.758659 where: bonds (distance) C4'-P energy: -168.400 bonds (distance) P-C4' energy: -183.881 flat angles C4'-P-C4' energy: -210.673 flat angles P-C4'-P energy: -129.250 tors. eta vs tors. theta energy: -265.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2825.609186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.609186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.609186 (E_RNA) where: Base-Base interactions energy: -1937.768 where: short stacking energy: -882.434 Base-Backbone interact. energy: -3.866 local terms energy: -883.975382 where: bonds (distance) C4'-P energy: -142.520 bonds (distance) P-C4' energy: -166.546 flat angles C4'-P-C4' energy: -204.450 flat angles P-C4'-P energy: -125.647 tors. eta vs tors. theta energy: -244.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2768.159452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.159452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.159452 (E_RNA) where: Base-Base interactions energy: -1883.586 where: short stacking energy: -852.724 Base-Backbone interact. energy: -3.714 local terms energy: -880.858834 where: bonds (distance) C4'-P energy: -162.316 bonds (distance) P-C4' energy: -159.300 flat angles C4'-P-C4' energy: -192.447 flat angles P-C4'-P energy: -125.251 tors. eta vs tors. theta energy: -241.545 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: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2522.544645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.544645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.544645 (E_RNA) where: Base-Base interactions energy: -1689.438 where: short stacking energy: -767.668 Base-Backbone interact. energy: -5.366 local terms energy: -827.740000 where: bonds (distance) C4'-P energy: -148.520 bonds (distance) P-C4' energy: -176.589 flat angles C4'-P-C4' energy: -178.322 flat angles P-C4'-P energy: -123.057 tors. eta vs tors. theta energy: -201.252 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: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2448.439014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.439014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.439014 (E_RNA) where: Base-Base interactions energy: -1667.555 where: short stacking energy: -744.243 Base-Backbone interact. energy: 4.983 local terms energy: -785.867388 where: bonds (distance) C4'-P energy: -126.087 bonds (distance) P-C4' energy: -143.727 flat angles C4'-P-C4' energy: -173.030 flat angles P-C4'-P energy: -128.654 tors. eta vs tors. theta energy: -214.369 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2124.135165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.135165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.135165 (E_RNA) where: Base-Base interactions energy: -1386.796 where: short stacking energy: -618.853 Base-Backbone interact. energy: -0.033 local terms energy: -737.306378 where: bonds (distance) C4'-P energy: -161.899 bonds (distance) P-C4' energy: -156.650 flat angles C4'-P-C4' energy: -159.911 flat angles P-C4'-P energy: -87.144 tors. eta vs tors. theta energy: -171.702 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: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1578.412333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.412333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.412333 (E_RNA) where: Base-Base interactions energy: -944.286 where: short stacking energy: -469.891 Base-Backbone interact. energy: 0.319 local terms energy: -634.445110 where: bonds (distance) C4'-P energy: -148.207 bonds (distance) P-C4' energy: -166.268 flat angles C4'-P-C4' energy: -165.147 flat angles P-C4'-P energy: -81.904 tors. eta vs tors. theta energy: -72.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1215.953907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.953907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.953907 (E_RNA) where: Base-Base interactions energy: -662.309 where: short stacking energy: -328.243 Base-Backbone interact. energy: -2.638 local terms energy: -551.006532 where: bonds (distance) C4'-P energy: -158.839 bonds (distance) P-C4' energy: -147.557 flat angles C4'-P-C4' energy: -151.503 flat angles P-C4'-P energy: -73.368 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -784.891522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.891522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.891522 (E_RNA) where: Base-Base interactions energy: -319.984 where: short stacking energy: -214.231 Base-Backbone interact. energy: -0.206 local terms energy: -464.701173 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -144.723 flat angles C4'-P-C4' energy: -121.387 flat angles P-C4'-P energy: -84.975 tors. eta vs tors. theta energy: 33.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3110.823688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.823688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.823688 (E_RNA) where: Base-Base interactions energy: -2134.720 where: short stacking energy: -958.548 Base-Backbone interact. energy: -4.514 local terms energy: -971.589847 where: bonds (distance) C4'-P energy: -179.064 bonds (distance) P-C4' energy: -180.288 flat angles C4'-P-C4' energy: -202.682 flat angles P-C4'-P energy: -135.019 tors. eta vs tors. theta energy: -274.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2988.861233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.861233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.861233 (E_RNA) where: Base-Base interactions energy: -2052.693 where: short stacking energy: -891.059 Base-Backbone interact. energy: -1.551 local terms energy: -934.617176 where: bonds (distance) C4'-P energy: -180.955 bonds (distance) P-C4' energy: -175.530 flat angles C4'-P-C4' energy: -195.576 flat angles P-C4'-P energy: -122.750 tors. eta vs tors. theta energy: -259.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2832.228034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.228034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.228034 (E_RNA) where: Base-Base interactions energy: -1975.869 where: short stacking energy: -872.410 Base-Backbone interact. energy: -1.089 local terms energy: -855.270196 where: bonds (distance) C4'-P energy: -145.767 bonds (distance) P-C4' energy: -160.275 flat angles C4'-P-C4' energy: -196.311 flat angles P-C4'-P energy: -122.381 tors. eta vs tors. theta energy: -230.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2794.243734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.243734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.243734 (E_RNA) where: Base-Base interactions energy: -1904.186 where: short stacking energy: -847.342 Base-Backbone interact. energy: -2.631 local terms energy: -887.426079 where: bonds (distance) C4'-P energy: -171.662 bonds (distance) P-C4' energy: -146.123 flat angles C4'-P-C4' energy: -197.456 flat angles P-C4'-P energy: -130.915 tors. eta vs tors. theta energy: -241.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2472.836593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.836593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.836593 (E_RNA) where: Base-Base interactions energy: -1634.869 where: short stacking energy: -754.362 Base-Backbone interact. energy: -4.339 local terms energy: -833.628317 where: bonds (distance) C4'-P energy: -172.004 bonds (distance) P-C4' energy: -175.135 flat angles C4'-P-C4' energy: -171.682 flat angles P-C4'-P energy: -116.661 tors. eta vs tors. theta energy: -198.146 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: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2414.641708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.641708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.641708 (E_RNA) where: Base-Base interactions energy: -1665.794 where: short stacking energy: -698.359 Base-Backbone interact. energy: 1.232 local terms energy: -750.079558 where: bonds (distance) C4'-P energy: -140.153 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -170.118 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -197.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2081.856549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.856549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.856549 (E_RNA) where: Base-Base interactions energy: -1377.582 where: short stacking energy: -650.913 Base-Backbone interact. energy: 3.036 local terms energy: -707.310179 where: bonds (distance) C4'-P energy: -136.186 bonds (distance) P-C4' energy: -159.761 flat angles C4'-P-C4' energy: -154.366 flat angles P-C4'-P energy: -105.695 tors. eta vs tors. theta energy: -151.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1557.660880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.660880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.660880 (E_RNA) where: Base-Base interactions energy: -950.123 where: short stacking energy: -481.295 Base-Backbone interact. energy: 4.059 local terms energy: -611.596153 where: bonds (distance) C4'-P energy: -146.855 bonds (distance) P-C4' energy: -137.061 flat angles C4'-P-C4' energy: -167.220 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -98.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1237.185944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.185944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.185944 (E_RNA) where: Base-Base interactions energy: -679.443 where: short stacking energy: -369.148 Base-Backbone interact. energy: 0.723 local terms energy: -558.466755 where: bonds (distance) C4'-P energy: -134.061 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -156.891 flat angles P-C4'-P energy: -92.679 tors. eta vs tors. theta energy: -20.054 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: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -765.259198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.259198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.259198 (E_RNA) where: Base-Base interactions energy: -300.474 where: short stacking energy: -212.938 Base-Backbone interact. energy: 3.555 local terms energy: -468.339656 where: bonds (distance) C4'-P energy: -134.476 bonds (distance) P-C4' energy: -151.256 flat angles C4'-P-C4' energy: -144.003 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: 17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3110.227826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.227826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.227826 (E_RNA) where: Base-Base interactions energy: -2135.047 where: short stacking energy: -943.098 Base-Backbone interact. energy: -4.075 local terms energy: -971.106023 where: bonds (distance) C4'-P energy: -173.810 bonds (distance) P-C4' energy: -194.678 flat angles C4'-P-C4' energy: -204.268 flat angles P-C4'-P energy: -127.039 tors. eta vs tors. theta energy: -271.312 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3007.937513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.937513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.937513 (E_RNA) where: Base-Base interactions energy: -2055.649 where: short stacking energy: -909.129 Base-Backbone interact. energy: -1.265 local terms energy: -951.023985 where: bonds (distance) C4'-P energy: -182.048 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -203.861 flat angles P-C4'-P energy: -139.253 tors. eta vs tors. theta energy: -252.774 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: 428 Temperature: 1.000000 Total energy: -2824.002955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.002955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.002955 (E_RNA) where: Base-Base interactions energy: -1942.638 where: short stacking energy: -855.061 Base-Backbone interact. energy: 3.935 local terms energy: -885.300093 where: bonds (distance) C4'-P energy: -168.807 bonds (distance) P-C4' energy: -172.306 flat angles C4'-P-C4' energy: -192.479 flat angles P-C4'-P energy: -115.317 tors. eta vs tors. theta energy: -236.390 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2805.111030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.111030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.111030 (E_RNA) where: Base-Base interactions energy: -1883.873 where: short stacking energy: -851.407 Base-Backbone interact. energy: -3.446 local terms energy: -917.791859 where: bonds (distance) C4'-P energy: -161.670 bonds (distance) P-C4' energy: -175.858 flat angles C4'-P-C4' energy: -187.989 flat angles P-C4'-P energy: -141.633 tors. eta vs tors. theta energy: -250.642 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: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2476.524597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.524597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.524597 (E_RNA) where: Base-Base interactions energy: -1657.814 where: short stacking energy: -748.048 Base-Backbone interact. energy: -2.082 local terms energy: -816.627834 where: bonds (distance) C4'-P energy: -163.804 bonds (distance) P-C4' energy: -163.784 flat angles C4'-P-C4' energy: -178.761 flat angles P-C4'-P energy: -107.150 tors. eta vs tors. theta energy: -203.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2355.896960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.896960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.896960 (E_RNA) where: Base-Base interactions energy: -1599.626 where: short stacking energy: -707.902 Base-Backbone interact. energy: 2.138 local terms energy: -758.409135 where: bonds (distance) C4'-P energy: -152.469 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -174.299 flat angles P-C4'-P energy: -99.127 tors. eta vs tors. theta energy: -173.909 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2074.979542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.979542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.979542 (E_RNA) where: Base-Base interactions energy: -1363.689 where: short stacking energy: -607.205 Base-Backbone interact. energy: 6.054 local terms energy: -717.344719 where: bonds (distance) C4'-P energy: -141.100 bonds (distance) P-C4' energy: -166.984 flat angles C4'-P-C4' energy: -169.529 flat angles P-C4'-P energy: -97.604 tors. eta vs tors. theta energy: -142.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1555.536510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.536510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.536510 (E_RNA) where: Base-Base interactions energy: -932.472 where: short stacking energy: -442.390 Base-Backbone interact. energy: 0.019 local terms energy: -623.083806 where: bonds (distance) C4'-P energy: -152.533 bonds (distance) P-C4' energy: -167.241 flat angles C4'-P-C4' energy: -143.824 flat angles P-C4'-P energy: -87.050 tors. eta vs tors. theta energy: -72.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1273.774198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.774198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.774198 (E_RNA) where: Base-Base interactions energy: -742.389 where: short stacking energy: -354.541 Base-Backbone interact. energy: -2.987 local terms energy: -528.398025 where: bonds (distance) C4'-P energy: -144.731 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -130.423 flat angles P-C4'-P energy: -95.119 tors. eta vs tors. theta energy: -21.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -777.113770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.113770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.113770 (E_RNA) where: Base-Base interactions energy: -336.416 where: short stacking energy: -244.441 Base-Backbone interact. energy: 0.757 local terms energy: -441.454453 where: bonds (distance) C4'-P energy: -136.308 bonds (distance) P-C4' energy: -131.053 flat angles C4'-P-C4' energy: -139.448 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: 20.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3095.532444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.532444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.532444 (E_RNA) where: Base-Base interactions energy: -2131.163 where: short stacking energy: -934.210 Base-Backbone interact. energy: -4.088 local terms energy: -960.281501 where: bonds (distance) C4'-P energy: -168.677 bonds (distance) P-C4' energy: -185.965 flat angles C4'-P-C4' energy: -201.894 flat angles P-C4'-P energy: -138.932 tors. eta vs tors. theta energy: -264.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2988.849364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.849364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.849364 (E_RNA) where: Base-Base interactions energy: -2048.956 where: short stacking energy: -902.384 Base-Backbone interact. energy: -1.122 local terms energy: -938.771840 where: bonds (distance) C4'-P energy: -174.805 bonds (distance) P-C4' energy: -178.437 flat angles C4'-P-C4' energy: -200.287 flat angles P-C4'-P energy: -121.569 tors. eta vs tors. theta energy: -263.673 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: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2807.930506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.930506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.930506 (E_RNA) where: Base-Base interactions energy: -1922.847 where: short stacking energy: -851.753 Base-Backbone interact. energy: 0.336 local terms energy: -885.419823 where: bonds (distance) C4'-P energy: -167.117 bonds (distance) P-C4' energy: -191.144 flat angles C4'-P-C4' energy: -180.728 flat angles P-C4'-P energy: -122.152 tors. eta vs tors. theta energy: -224.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2808.793969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.793969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.793969 (E_RNA) where: Base-Base interactions energy: -1912.948 where: short stacking energy: -860.799 Base-Backbone interact. energy: -3.889 local terms energy: -891.957273 where: bonds (distance) C4'-P energy: -159.329 bonds (distance) P-C4' energy: -176.219 flat angles C4'-P-C4' energy: -179.292 flat angles P-C4'-P energy: -119.441 tors. eta vs tors. theta energy: -257.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2524.977860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.977860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.977860 (E_RNA) where: Base-Base interactions energy: -1695.313 where: short stacking energy: -775.144 Base-Backbone interact. energy: -3.156 local terms energy: -826.509268 where: bonds (distance) C4'-P energy: -144.630 bonds (distance) P-C4' energy: -166.753 flat angles C4'-P-C4' energy: -182.785 flat angles P-C4'-P energy: -116.531 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: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2360.684280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.684280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.684280 (E_RNA) where: Base-Base interactions energy: -1574.557 where: short stacking energy: -711.526 Base-Backbone interact. energy: -3.949 local terms energy: -782.178285 where: bonds (distance) C4'-P energy: -162.135 bonds (distance) P-C4' energy: -158.106 flat angles C4'-P-C4' energy: -172.276 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -194.220 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: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2025.665526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.665526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.665526 (E_RNA) where: Base-Base interactions energy: -1335.383 where: short stacking energy: -595.238 Base-Backbone interact. energy: 1.562 local terms energy: -691.844372 where: bonds (distance) C4'-P energy: -149.838 bonds (distance) P-C4' energy: -165.325 flat angles C4'-P-C4' energy: -156.433 flat angles P-C4'-P energy: -91.388 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: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1510.050866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.050866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.050866 (E_RNA) where: Base-Base interactions energy: -929.213 where: short stacking energy: -447.201 Base-Backbone interact. energy: -0.667 local terms energy: -580.171357 where: bonds (distance) C4'-P energy: -150.676 bonds (distance) P-C4' energy: -149.466 flat angles C4'-P-C4' energy: -116.155 flat angles P-C4'-P energy: -86.354 tors. eta vs tors. theta energy: -77.520 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: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1214.267707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.267707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.267707 (E_RNA) where: Base-Base interactions energy: -713.225 where: short stacking energy: -340.039 Base-Backbone interact. energy: -1.953 local terms energy: -499.089565 where: bonds (distance) C4'-P energy: -138.455 bonds (distance) P-C4' energy: -154.198 flat angles C4'-P-C4' energy: -118.497 flat angles P-C4'-P energy: -56.164 tors. eta vs tors. theta energy: -31.774 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: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -780.216310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.216310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.216310 (E_RNA) where: Base-Base interactions energy: -319.811 where: short stacking energy: -228.276 Base-Backbone interact. energy: -1.570 local terms energy: -458.835751 where: bonds (distance) C4'-P energy: -166.119 bonds (distance) P-C4' energy: -149.500 flat angles C4'-P-C4' energy: -108.867 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: 13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3119.784836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.784836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.784836 (E_RNA) where: Base-Base interactions energy: -2174.564 where: short stacking energy: -946.707 Base-Backbone interact. energy: 1.314 local terms energy: -946.533917 where: bonds (distance) C4'-P energy: -170.235 bonds (distance) P-C4' energy: -169.337 flat angles C4'-P-C4' energy: -189.865 flat angles P-C4'-P energy: -145.402 tors. eta vs tors. theta energy: -271.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2999.052962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.052962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.052962 (E_RNA) where: Base-Base interactions energy: -2055.754 where: short stacking energy: -912.746 Base-Backbone interact. energy: -1.184 local terms energy: -942.114619 where: bonds (distance) C4'-P energy: -182.428 bonds (distance) P-C4' energy: -185.120 flat angles C4'-P-C4' energy: -196.049 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -256.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2872.968789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.968789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.968789 (E_RNA) where: Base-Base interactions energy: -2010.522 where: short stacking energy: -890.889 Base-Backbone interact. energy: -3.421 local terms energy: -859.026462 where: bonds (distance) C4'-P energy: -175.301 bonds (distance) P-C4' energy: -154.450 flat angles C4'-P-C4' energy: -175.495 flat angles P-C4'-P energy: -114.756 tors. eta vs tors. theta energy: -239.024 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: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2778.522229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.522229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.522229 (E_RNA) where: Base-Base interactions energy: -1890.029 where: short stacking energy: -839.308 Base-Backbone interact. energy: -0.460 local terms energy: -888.033201 where: bonds (distance) C4'-P energy: -156.241 bonds (distance) P-C4' energy: -176.238 flat angles C4'-P-C4' energy: -204.976 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -244.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2522.624088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.624088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.624088 (E_RNA) where: Base-Base interactions energy: -1684.470 where: short stacking energy: -741.613 Base-Backbone interact. energy: -1.024 local terms energy: -837.129671 where: bonds (distance) C4'-P energy: -151.564 bonds (distance) P-C4' energy: -169.534 flat angles C4'-P-C4' energy: -190.755 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -209.337 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: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2373.289622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.289622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.289622 (E_RNA) where: Base-Base interactions energy: -1612.271 where: short stacking energy: -706.685 Base-Backbone interact. energy: -0.825 local terms energy: -760.193574 where: bonds (distance) C4'-P energy: -134.292 bonds (distance) P-C4' energy: -164.226 flat angles C4'-P-C4' energy: -182.046 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -182.203 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: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2095.222693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.222693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.222693 (E_RNA) where: Base-Base interactions energy: -1331.321 where: short stacking energy: -610.936 Base-Backbone interact. energy: -0.307 local terms energy: -763.595545 where: bonds (distance) C4'-P energy: -143.109 bonds (distance) P-C4' energy: -171.207 flat angles C4'-P-C4' energy: -163.776 flat angles P-C4'-P energy: -123.716 tors. eta vs tors. theta energy: -161.788 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1628.499808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.499808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.499808 (E_RNA) where: Base-Base interactions energy: -990.527 where: short stacking energy: -466.233 Base-Backbone interact. energy: 1.481 local terms energy: -639.453821 where: bonds (distance) C4'-P energy: -165.114 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -162.215 flat angles P-C4'-P energy: -83.674 tors. eta vs tors. theta energy: -76.412 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: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1210.294517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.294517 (E_RNA) where: Base-Base interactions energy: -697.460 where: short stacking energy: -362.943 Base-Backbone interact. energy: 5.360 local terms energy: -518.194173 where: bonds (distance) C4'-P energy: -143.416 bonds (distance) P-C4' energy: -142.422 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -48.729 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: 430 Temperature: 1.350000 Total energy: -753.470772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.470772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.470772 (E_RNA) where: Base-Base interactions energy: -303.101 where: short stacking energy: -214.237 Base-Backbone interact. energy: 1.882 local terms energy: -452.252448 where: bonds (distance) C4'-P energy: -115.989 bonds (distance) P-C4' energy: -161.993 flat angles C4'-P-C4' energy: -121.591 flat angles P-C4'-P energy: -62.595 tors. eta vs tors. theta energy: 9.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3103.708721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.708721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.708721 (E_RNA) where: Base-Base interactions energy: -2140.433 where: short stacking energy: -933.179 Base-Backbone interact. energy: -3.006 local terms energy: -960.269643 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -174.894 flat angles C4'-P-C4' energy: -211.596 flat angles P-C4'-P energy: -139.193 tors. eta vs tors. theta energy: -270.443 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: 431 Temperature: 0.950000 Total energy: -3044.292055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.292055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.292055 (E_RNA) where: Base-Base interactions energy: -2093.787 where: short stacking energy: -907.799 Base-Backbone interact. energy: -4.513 local terms energy: -945.992743 where: bonds (distance) C4'-P energy: -168.514 bonds (distance) P-C4' energy: -161.864 flat angles C4'-P-C4' energy: -210.472 flat angles P-C4'-P energy: -141.956 tors. eta vs tors. theta energy: -263.188 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2815.613134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.613134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.613134 (E_RNA) where: Base-Base interactions energy: -1932.516 where: short stacking energy: -838.403 Base-Backbone interact. energy: 6.899 local terms energy: -889.996815 where: bonds (distance) C4'-P energy: -171.844 bonds (distance) P-C4' energy: -173.277 flat angles C4'-P-C4' energy: -200.741 flat angles P-C4'-P energy: -110.226 tors. eta vs tors. theta energy: -233.908 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: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2762.067101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.067101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.067101 (E_RNA) where: Base-Base interactions energy: -1907.164 where: short stacking energy: -844.724 Base-Backbone interact. energy: -0.853 local terms energy: -854.050305 where: bonds (distance) C4'-P energy: -166.944 bonds (distance) P-C4' energy: -172.629 flat angles C4'-P-C4' energy: -174.025 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -234.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2577.942330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.942330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.942330 (E_RNA) where: Base-Base interactions energy: -1738.725 where: short stacking energy: -783.952 Base-Backbone interact. energy: -3.821 local terms energy: -835.396939 where: bonds (distance) C4'-P energy: -161.387 bonds (distance) P-C4' energy: -151.996 flat angles C4'-P-C4' energy: -194.912 flat angles P-C4'-P energy: -109.570 tors. eta vs tors. theta energy: -217.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2379.493812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.493812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.493812 (E_RNA) where: Base-Base interactions energy: -1610.701 where: short stacking energy: -717.929 Base-Backbone interact. energy: 1.675 local terms energy: -770.468020 where: bonds (distance) C4'-P energy: -151.542 bonds (distance) P-C4' energy: -161.466 flat angles C4'-P-C4' energy: -162.341 flat angles P-C4'-P energy: -99.379 tors. eta vs tors. theta energy: -195.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2079.500234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.500234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.500234 (E_RNA) where: Base-Base interactions energy: -1366.698 where: short stacking energy: -632.460 Base-Backbone interact. energy: 7.696 local terms energy: -720.498338 where: bonds (distance) C4'-P energy: -139.246 bonds (distance) P-C4' energy: -168.659 flat angles C4'-P-C4' energy: -163.993 flat angles P-C4'-P energy: -99.350 tors. eta vs tors. theta energy: -149.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1560.837829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.837829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.837829 (E_RNA) where: Base-Base interactions energy: -961.512 where: short stacking energy: -444.126 Base-Backbone interact. energy: -1.304 local terms energy: -598.022592 where: bonds (distance) C4'-P energy: -142.467 bonds (distance) P-C4' energy: -156.341 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -93.065 tors. eta vs tors. theta energy: -61.475 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: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1224.967886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.967886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.967886 (E_RNA) where: Base-Base interactions energy: -702.957 where: short stacking energy: -350.228 Base-Backbone interact. energy: -4.485 local terms energy: -517.526189 where: bonds (distance) C4'-P energy: -120.407 bonds (distance) P-C4' energy: -159.195 flat angles C4'-P-C4' energy: -121.549 flat angles P-C4'-P energy: -90.112 tors. eta vs tors. theta energy: -26.264 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: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -802.434776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.434776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.434776 (E_RNA) where: Base-Base interactions energy: -396.121 where: short stacking energy: -240.603 Base-Backbone interact. energy: 2.459 local terms energy: -408.773126 where: bonds (distance) C4'-P energy: -129.244 bonds (distance) P-C4' energy: -124.949 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -71.634 tors. eta vs tors. theta energy: 13.706 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: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3116.251890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.251890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.251890 (E_RNA) where: Base-Base interactions energy: -2149.425 where: short stacking energy: -921.614 Base-Backbone interact. energy: -4.203 local terms energy: -962.624332 where: bonds (distance) C4'-P energy: -174.005 bonds (distance) P-C4' energy: -164.406 flat angles C4'-P-C4' energy: -205.610 flat angles P-C4'-P energy: -153.681 tors. eta vs tors. theta energy: -264.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3000.312363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.312363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.312363 (E_RNA) where: Base-Base interactions energy: -2055.519 where: short stacking energy: -908.291 Base-Backbone interact. energy: 0.197 local terms energy: -944.989669 where: bonds (distance) C4'-P energy: -163.045 bonds (distance) P-C4' energy: -183.578 flat angles C4'-P-C4' energy: -203.605 flat angles P-C4'-P energy: -126.549 tors. eta vs tors. theta energy: -268.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2850.301571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.301571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.301571 (E_RNA) where: Base-Base interactions energy: -1928.400 where: short stacking energy: -885.328 Base-Backbone interact. energy: -0.797 local terms energy: -921.104086 where: bonds (distance) C4'-P energy: -176.132 bonds (distance) P-C4' energy: -173.470 flat angles C4'-P-C4' energy: -193.117 flat angles P-C4'-P energy: -117.471 tors. eta vs tors. theta energy: -260.914 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: 432 Temperature: 1.050000 Total energy: -2758.665441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.665441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.665441 (E_RNA) where: Base-Base interactions energy: -1876.384 where: short stacking energy: -828.481 Base-Backbone interact. energy: -3.917 local terms energy: -878.364813 where: bonds (distance) C4'-P energy: -167.198 bonds (distance) P-C4' energy: -167.056 flat angles C4'-P-C4' energy: -176.931 flat angles P-C4'-P energy: -128.438 tors. eta vs tors. theta energy: -238.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2543.437485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.437485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.437485 (E_RNA) where: Base-Base interactions energy: -1727.219 where: short stacking energy: -782.917 Base-Backbone interact. energy: -1.283 local terms energy: -814.935603 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -158.862 flat angles C4'-P-C4' energy: -172.238 flat angles P-C4'-P energy: -115.556 tors. eta vs tors. theta energy: -214.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2401.878097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.878097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.878097 (E_RNA) where: Base-Base interactions energy: -1596.646 where: short stacking energy: -702.339 Base-Backbone interact. energy: -3.643 local terms energy: -801.588659 where: bonds (distance) C4'-P energy: -157.387 bonds (distance) P-C4' energy: -177.223 flat angles C4'-P-C4' energy: -178.604 flat angles P-C4'-P energy: -99.538 tors. eta vs tors. theta energy: -188.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2157.031069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.031069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.031069 (E_RNA) where: Base-Base interactions energy: -1428.431 where: short stacking energy: -656.874 Base-Backbone interact. energy: -0.848 local terms energy: -727.752360 where: bonds (distance) C4'-P energy: -144.899 bonds (distance) P-C4' energy: -132.783 flat angles C4'-P-C4' energy: -162.895 flat angles P-C4'-P energy: -115.402 tors. eta vs tors. theta energy: -171.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1493.125154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.125154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.125154 (E_RNA) where: Base-Base interactions energy: -922.858 where: short stacking energy: -438.653 Base-Backbone interact. energy: -0.217 local terms energy: -570.049207 where: bonds (distance) C4'-P energy: -146.986 bonds (distance) P-C4' energy: -152.994 flat angles C4'-P-C4' energy: -138.081 flat angles P-C4'-P energy: -84.744 tors. eta vs tors. theta energy: -47.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1227.619626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.619626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.619626 (E_RNA) where: Base-Base interactions energy: -698.838 where: short stacking energy: -361.713 Base-Backbone interact. energy: 5.560 local terms energy: -534.341100 where: bonds (distance) C4'-P energy: -132.145 bonds (distance) P-C4' energy: -144.559 flat angles C4'-P-C4' energy: -148.573 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: -40.537 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: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -845.335958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.335958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.335958 (E_RNA) where: Base-Base interactions energy: -386.966 where: short stacking energy: -229.564 Base-Backbone interact. energy: 0.552 local terms energy: -458.922613 where: bonds (distance) C4'-P energy: -144.066 bonds (distance) P-C4' energy: -156.149 flat angles C4'-P-C4' energy: -102.776 flat angles P-C4'-P energy: -62.650 tors. eta vs tors. theta energy: 6.718 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: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3109.331903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.331903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.331903 (E_RNA) where: Base-Base interactions energy: -2144.802 where: short stacking energy: -937.920 Base-Backbone interact. energy: 0.003 local terms energy: -964.533601 where: bonds (distance) C4'-P energy: -159.734 bonds (distance) P-C4' energy: -187.561 flat angles C4'-P-C4' energy: -206.850 flat angles P-C4'-P energy: -148.048 tors. eta vs tors. theta energy: -262.340 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: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3011.147975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.147975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.147975 (E_RNA) where: Base-Base interactions energy: -2084.291 where: short stacking energy: -917.793 Base-Backbone interact. energy: 2.639 local terms energy: -929.496440 where: bonds (distance) C4'-P energy: -175.282 bonds (distance) P-C4' energy: -169.935 flat angles C4'-P-C4' energy: -193.453 flat angles P-C4'-P energy: -125.581 tors. eta vs tors. theta energy: -265.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2850.507957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.507957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.507957 (E_RNA) where: Base-Base interactions energy: -1942.379 where: short stacking energy: -886.845 Base-Backbone interact. energy: -0.981 local terms energy: -907.148126 where: bonds (distance) C4'-P energy: -163.613 bonds (distance) P-C4' energy: -176.326 flat angles C4'-P-C4' energy: -188.239 flat angles P-C4'-P energy: -131.582 tors. eta vs tors. theta energy: -247.389 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2737.096385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.096385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.096385 (E_RNA) where: Base-Base interactions energy: -1871.939 where: short stacking energy: -833.766 Base-Backbone interact. energy: -1.726 local terms energy: -863.431041 where: bonds (distance) C4'-P energy: -156.365 bonds (distance) P-C4' energy: -167.874 flat angles C4'-P-C4' energy: -181.794 flat angles P-C4'-P energy: -125.249 tors. eta vs tors. theta energy: -232.149 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: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2500.582743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.582743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.582743 (E_RNA) where: Base-Base interactions energy: -1665.393 where: short stacking energy: -757.118 Base-Backbone interact. energy: -0.978 local terms energy: -834.211994 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -187.580 flat angles P-C4'-P energy: -123.161 tors. eta vs tors. theta energy: -209.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2356.664875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.664875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.664875 (E_RNA) where: Base-Base interactions energy: -1556.565 where: short stacking energy: -674.674 Base-Backbone interact. energy: -2.198 local terms energy: -797.901304 where: bonds (distance) C4'-P energy: -147.646 bonds (distance) P-C4' energy: -165.998 flat angles C4'-P-C4' energy: -188.680 flat angles P-C4'-P energy: -115.772 tors. eta vs tors. theta energy: -179.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2182.083359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.083359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.083359 (E_RNA) where: Base-Base interactions energy: -1449.232 where: short stacking energy: -630.572 Base-Backbone interact. energy: -2.150 local terms energy: -730.700718 where: bonds (distance) C4'-P energy: -164.863 bonds (distance) P-C4' energy: -138.018 flat angles C4'-P-C4' energy: -161.085 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -163.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1552.853400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.853400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.853400 (E_RNA) where: Base-Base interactions energy: -951.180 where: short stacking energy: -460.424 Base-Backbone interact. energy: 0.335 local terms energy: -602.008425 where: bonds (distance) C4'-P energy: -142.515 bonds (distance) P-C4' energy: -149.358 flat angles C4'-P-C4' energy: -158.839 flat angles P-C4'-P energy: -85.502 tors. eta vs tors. theta energy: -65.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1313.065470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.065470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.065470 (E_RNA) where: Base-Base interactions energy: -759.898 where: short stacking energy: -353.353 Base-Backbone interact. energy: 0.590 local terms energy: -553.757749 where: bonds (distance) C4'-P energy: -124.611 bonds (distance) P-C4' energy: -157.438 flat angles C4'-P-C4' energy: -144.937 flat angles P-C4'-P energy: -81.229 tors. eta vs tors. theta energy: -45.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -849.490322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.490322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.490322 (E_RNA) where: Base-Base interactions energy: -372.571 where: short stacking energy: -250.489 Base-Backbone interact. energy: 7.159 local terms energy: -484.078908 where: bonds (distance) C4'-P energy: -152.053 bonds (distance) P-C4' energy: -115.273 flat angles C4'-P-C4' energy: -115.376 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3102.968778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.968778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.968778 (E_RNA) where: Base-Base interactions energy: -2096.233 where: short stacking energy: -953.052 Base-Backbone interact. energy: -2.468 local terms energy: -1004.268041 where: bonds (distance) C4'-P energy: -170.367 bonds (distance) P-C4' energy: -188.658 flat angles C4'-P-C4' energy: -213.620 flat angles P-C4'-P energy: -142.758 tors. eta vs tors. theta energy: -288.865 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: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3105.093502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.093502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.093502 (E_RNA) where: Base-Base interactions energy: -2133.664 where: short stacking energy: -934.200 Base-Backbone interact. energy: -0.317 local terms energy: -971.112440 where: bonds (distance) C4'-P energy: -186.063 bonds (distance) P-C4' energy: -184.753 flat angles C4'-P-C4' energy: -200.780 flat angles P-C4'-P energy: -130.911 tors. eta vs tors. theta energy: -268.605 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: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2858.486813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.486813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.486813 (E_RNA) where: Base-Base interactions energy: -1918.347 where: short stacking energy: -878.930 Base-Backbone interact. energy: 1.237 local terms energy: -941.377638 where: bonds (distance) C4'-P energy: -170.333 bonds (distance) P-C4' energy: -168.664 flat angles C4'-P-C4' energy: -201.466 flat angles P-C4'-P energy: -143.364 tors. eta vs tors. theta energy: -257.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2761.789488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.789488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.789488 (E_RNA) where: Base-Base interactions energy: -1903.375 where: short stacking energy: -840.444 Base-Backbone interact. energy: -3.954 local terms energy: -854.459995 where: bonds (distance) C4'-P energy: -160.595 bonds (distance) P-C4' energy: -170.006 flat angles C4'-P-C4' energy: -182.142 flat angles P-C4'-P energy: -115.311 tors. eta vs tors. theta energy: -226.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2539.482467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.482467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.482467 (E_RNA) where: Base-Base interactions energy: -1715.016 where: short stacking energy: -795.179 Base-Backbone interact. energy: -0.895 local terms energy: -823.572216 where: bonds (distance) C4'-P energy: -160.965 bonds (distance) P-C4' energy: -178.177 flat angles C4'-P-C4' energy: -183.833 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -200.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2322.643525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.643525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.643525 (E_RNA) where: Base-Base interactions energy: -1553.235 where: short stacking energy: -666.366 Base-Backbone interact. energy: -5.283 local terms energy: -764.126001 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -170.847 flat angles C4'-P-C4' energy: -186.089 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -171.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2118.905616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.905616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.905616 (E_RNA) where: Base-Base interactions energy: -1373.311 where: short stacking energy: -599.029 Base-Backbone interact. energy: -3.777 local terms energy: -741.817768 where: bonds (distance) C4'-P energy: -134.623 bonds (distance) P-C4' energy: -157.096 flat angles C4'-P-C4' energy: -164.054 flat angles P-C4'-P energy: -120.809 tors. eta vs tors. theta energy: -165.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1669.490063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.490063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.490063 (E_RNA) where: Base-Base interactions energy: -1015.248 where: short stacking energy: -475.386 Base-Backbone interact. energy: -0.161 local terms energy: -654.081337 where: bonds (distance) C4'-P energy: -166.459 bonds (distance) P-C4' energy: -149.535 flat angles C4'-P-C4' energy: -149.922 flat angles P-C4'-P energy: -88.031 tors. eta vs tors. theta energy: -100.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1300.969798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.969798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.969798 (E_RNA) where: Base-Base interactions energy: -735.285 where: short stacking energy: -364.275 Base-Backbone interact. energy: -3.087 local terms energy: -562.597747 where: bonds (distance) C4'-P energy: -160.635 bonds (distance) P-C4' energy: -156.673 flat angles C4'-P-C4' energy: -132.899 flat angles P-C4'-P energy: -65.771 tors. eta vs tors. theta energy: -46.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -843.363799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.363799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.363799 (E_RNA) where: Base-Base interactions energy: -339.384 where: short stacking energy: -238.956 Base-Backbone interact. energy: 0.869 local terms energy: -504.848836 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -136.687 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: 7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3093.299742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.299742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.299742 (E_RNA) where: Base-Base interactions energy: -2114.013 where: short stacking energy: -935.969 Base-Backbone interact. energy: 0.004 local terms energy: -979.290802 where: bonds (distance) C4'-P energy: -169.504 bonds (distance) P-C4' energy: -189.783 flat angles C4'-P-C4' energy: -207.985 flat angles P-C4'-P energy: -139.882 tors. eta vs tors. theta energy: -272.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3045.199083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.199083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.199083 (E_RNA) where: Base-Base interactions energy: -2092.277 where: short stacking energy: -934.978 Base-Backbone interact. energy: -2.299 local terms energy: -950.623015 where: bonds (distance) C4'-P energy: -171.455 bonds (distance) P-C4' energy: -173.817 flat angles C4'-P-C4' energy: -204.333 flat angles P-C4'-P energy: -138.067 tors. eta vs tors. theta energy: -262.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2924.202017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.202017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.202017 (E_RNA) where: Base-Base interactions energy: -1964.935 where: short stacking energy: -913.649 Base-Backbone interact. energy: 1.740 local terms energy: -961.006945 where: bonds (distance) C4'-P energy: -170.327 bonds (distance) P-C4' energy: -175.215 flat angles C4'-P-C4' energy: -200.640 flat angles P-C4'-P energy: -149.630 tors. eta vs tors. theta energy: -265.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2745.164658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.164658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.164658 (E_RNA) where: Base-Base interactions energy: -1863.710 where: short stacking energy: -811.494 Base-Backbone interact. energy: -2.855 local terms energy: -878.599945 where: bonds (distance) C4'-P energy: -176.351 bonds (distance) P-C4' energy: -181.259 flat angles C4'-P-C4' energy: -179.823 flat angles P-C4'-P energy: -119.698 tors. eta vs tors. theta energy: -221.469 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: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2508.536658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.536658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.536658 (E_RNA) where: Base-Base interactions energy: -1699.054 where: short stacking energy: -745.752 Base-Backbone interact. energy: -2.682 local terms energy: -806.800956 where: bonds (distance) C4'-P energy: -161.485 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -164.004 flat angles P-C4'-P energy: -121.314 tors. eta vs tors. theta energy: -207.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2295.177329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.177329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.177329 (E_RNA) where: Base-Base interactions energy: -1545.091 where: short stacking energy: -679.536 Base-Backbone interact. energy: -4.225 local terms energy: -745.861077 where: bonds (distance) C4'-P energy: -145.954 bonds (distance) P-C4' energy: -149.040 flat angles C4'-P-C4' energy: -166.637 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -179.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2179.926988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.926988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.926988 (E_RNA) where: Base-Base interactions energy: -1466.510 where: short stacking energy: -666.391 Base-Backbone interact. energy: 2.058 local terms energy: -715.474796 where: bonds (distance) C4'-P energy: -164.121 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -132.087 flat angles P-C4'-P energy: -99.806 tors. eta vs tors. theta energy: -173.976 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: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1690.718076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.718076 (E_RNA) where: Base-Base interactions energy: -1054.117 where: short stacking energy: -507.186 Base-Backbone interact. energy: -2.031 local terms energy: -634.570488 where: bonds (distance) C4'-P energy: -152.073 bonds (distance) P-C4' energy: -159.941 flat angles C4'-P-C4' energy: -118.303 flat angles P-C4'-P energy: -97.104 tors. eta vs tors. theta energy: -107.149 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: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1218.039433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.039433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.039433 (E_RNA) where: Base-Base interactions energy: -685.422 where: short stacking energy: -369.130 Base-Backbone interact. energy: 0.076 local terms energy: -532.693398 where: bonds (distance) C4'-P energy: -123.798 bonds (distance) P-C4' energy: -145.320 flat angles C4'-P-C4' energy: -134.038 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -38.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -815.607496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.607496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.607496 (E_RNA) where: Base-Base interactions energy: -358.496 where: short stacking energy: -235.344 Base-Backbone interact. energy: 3.218 local terms energy: -460.330298 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -156.389 flat angles C4'-P-C4' energy: -118.726 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: 11.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3088.688980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.688980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.688980 (E_RNA) where: Base-Base interactions energy: -2129.334 where: short stacking energy: -911.450 Base-Backbone interact. energy: 0.596 local terms energy: -959.951324 where: bonds (distance) C4'-P energy: -160.144 bonds (distance) P-C4' energy: -194.478 flat angles C4'-P-C4' energy: -203.175 flat angles P-C4'-P energy: -145.402 tors. eta vs tors. theta energy: -256.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3028.772453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.772453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.772453 (E_RNA) where: Base-Base interactions energy: -2073.906 where: short stacking energy: -916.827 Base-Backbone interact. energy: -0.704 local terms energy: -954.162495 where: bonds (distance) C4'-P energy: -167.924 bonds (distance) P-C4' energy: -179.108 flat angles C4'-P-C4' energy: -200.843 flat angles P-C4'-P energy: -140.695 tors. eta vs tors. theta energy: -265.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2865.870350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.870350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.870350 (E_RNA) where: Base-Base interactions energy: -1950.042 where: short stacking energy: -893.591 Base-Backbone interact. energy: -1.703 local terms energy: -914.125384 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -175.229 flat angles C4'-P-C4' energy: -195.375 flat angles P-C4'-P energy: -121.358 tors. eta vs tors. theta energy: -258.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2728.213342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.213342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.213342 (E_RNA) where: Base-Base interactions energy: -1875.083 where: short stacking energy: -792.933 Base-Backbone interact. energy: -2.914 local terms energy: -850.216761 where: bonds (distance) C4'-P energy: -156.519 bonds (distance) P-C4' energy: -177.350 flat angles C4'-P-C4' energy: -192.924 flat angles P-C4'-P energy: -129.371 tors. eta vs tors. theta energy: -194.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2530.523083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.523083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.523083 (E_RNA) where: Base-Base interactions energy: -1704.400 where: short stacking energy: -774.432 Base-Backbone interact. energy: -0.997 local terms energy: -825.126144 where: bonds (distance) C4'-P energy: -154.516 bonds (distance) P-C4' energy: -157.971 flat angles C4'-P-C4' energy: -179.912 flat angles P-C4'-P energy: -123.963 tors. eta vs tors. theta energy: -208.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2301.133016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.133016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.133016 (E_RNA) where: Base-Base interactions energy: -1524.609 where: short stacking energy: -662.235 Base-Backbone interact. energy: -1.229 local terms energy: -775.295052 where: bonds (distance) C4'-P energy: -158.533 bonds (distance) P-C4' energy: -159.859 flat angles C4'-P-C4' energy: -171.135 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -179.669 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: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2098.037902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.037902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.037902 (E_RNA) where: Base-Base interactions energy: -1392.079 where: short stacking energy: -642.448 Base-Backbone interact. energy: 0.248 local terms energy: -706.206648 where: bonds (distance) C4'-P energy: -146.876 bonds (distance) P-C4' energy: -154.006 flat angles C4'-P-C4' energy: -158.557 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -150.048 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: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1730.422654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.422654 (E_RNA) where: Base-Base interactions energy: -1105.789 where: short stacking energy: -501.203 Base-Backbone interact. energy: -2.073 local terms energy: -622.560746 where: bonds (distance) C4'-P energy: -139.077 bonds (distance) P-C4' energy: -150.358 flat angles C4'-P-C4' energy: -157.981 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -89.564 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: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1209.614152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.614152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.614152 (E_RNA) where: Base-Base interactions energy: -683.011 where: short stacking energy: -357.248 Base-Backbone interact. energy: 8.428 local terms energy: -535.030825 where: bonds (distance) C4'-P energy: -149.733 bonds (distance) P-C4' energy: -146.934 flat angles C4'-P-C4' energy: -120.251 flat angles P-C4'-P energy: -88.173 tors. eta vs tors. theta energy: -29.939 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -788.118145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.118145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.118145 (E_RNA) where: Base-Base interactions energy: -338.914 where: short stacking energy: -184.967 Base-Backbone interact. energy: 4.007 local terms energy: -453.210945 where: bonds (distance) C4'-P energy: -121.236 bonds (distance) P-C4' energy: -177.768 flat angles C4'-P-C4' energy: -117.253 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: 36.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3091.775181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.775181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.775181 (E_RNA) where: Base-Base interactions energy: -2130.192 where: short stacking energy: -957.229 Base-Backbone interact. energy: 5.697 local terms energy: -967.279507 where: bonds (distance) C4'-P energy: -164.633 bonds (distance) P-C4' energy: -188.407 flat angles C4'-P-C4' energy: -209.557 flat angles P-C4'-P energy: -131.163 tors. eta vs tors. theta energy: -273.520 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: 2, replica: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3020.718155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.718155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.718155 (E_RNA) where: Base-Base interactions energy: -2060.155 where: short stacking energy: -884.855 Base-Backbone interact. energy: 0.036 local terms energy: -960.599227 where: bonds (distance) C4'-P energy: -183.218 bonds (distance) P-C4' energy: -186.365 flat angles C4'-P-C4' energy: -193.820 flat angles P-C4'-P energy: -144.391 tors. eta vs tors. theta energy: -252.805 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: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2882.037064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.037064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.037064 (E_RNA) where: Base-Base interactions energy: -1939.334 where: short stacking energy: -893.207 Base-Backbone interact. energy: -0.874 local terms energy: -941.828759 where: bonds (distance) C4'-P energy: -188.682 bonds (distance) P-C4' energy: -152.448 flat angles C4'-P-C4' energy: -195.336 flat angles P-C4'-P energy: -140.643 tors. eta vs tors. theta energy: -264.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2712.551924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.551924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.551924 (E_RNA) where: Base-Base interactions energy: -1862.845 where: short stacking energy: -836.782 Base-Backbone interact. energy: 0.690 local terms energy: -850.397107 where: bonds (distance) C4'-P energy: -173.082 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -189.884 flat angles P-C4'-P energy: -107.789 tors. eta vs tors. theta energy: -228.659 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: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2566.377726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.377726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.377726 (E_RNA) where: Base-Base interactions energy: -1712.812 where: short stacking energy: -779.683 Base-Backbone interact. energy: -1.205 local terms energy: -852.360719 where: bonds (distance) C4'-P energy: -173.705 bonds (distance) P-C4' energy: -165.511 flat angles C4'-P-C4' energy: -180.270 flat angles P-C4'-P energy: -114.333 tors. eta vs tors. theta energy: -218.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2314.368407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.368407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.368407 (E_RNA) where: Base-Base interactions energy: -1592.270 where: short stacking energy: -704.604 Base-Backbone interact. energy: 0.478 local terms energy: -722.575641 where: bonds (distance) C4'-P energy: -151.200 bonds (distance) P-C4' energy: -149.089 flat angles C4'-P-C4' energy: -146.993 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -169.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2155.050610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.050610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.050610 (E_RNA) where: Base-Base interactions energy: -1403.069 where: short stacking energy: -640.612 Base-Backbone interact. energy: -0.144 local terms energy: -751.837070 where: bonds (distance) C4'-P energy: -156.905 bonds (distance) P-C4' energy: -170.568 flat angles C4'-P-C4' energy: -147.881 flat angles P-C4'-P energy: -114.000 tors. eta vs tors. theta energy: -162.482 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: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1725.780382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.780382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.780382 (E_RNA) where: Base-Base interactions energy: -1071.662 where: short stacking energy: -514.028 Base-Backbone interact. energy: -3.475 local terms energy: -650.643073 where: bonds (distance) C4'-P energy: -148.763 bonds (distance) P-C4' energy: -163.568 flat angles C4'-P-C4' energy: -149.134 flat angles P-C4'-P energy: -89.820 tors. eta vs tors. theta energy: -99.358 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: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1183.117524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.117524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.117524 (E_RNA) where: Base-Base interactions energy: -663.331 where: short stacking energy: -344.731 Base-Backbone interact. energy: 1.152 local terms energy: -520.939192 where: bonds (distance) C4'-P energy: -142.629 bonds (distance) P-C4' energy: -157.252 flat angles C4'-P-C4' energy: -141.706 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -802.863125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.863125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.863125 (E_RNA) where: Base-Base interactions energy: -357.310 where: short stacking energy: -263.920 Base-Backbone interact. energy: -1.213 local terms energy: -444.340904 where: bonds (distance) C4'-P energy: -117.097 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -117.405 flat angles P-C4'-P energy: -86.529 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3129.204845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.204845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.204845 (E_RNA) where: Base-Base interactions energy: -2131.960 where: short stacking energy: -953.147 Base-Backbone interact. energy: -1.235 local terms energy: -996.009942 where: bonds (distance) C4'-P energy: -173.837 bonds (distance) P-C4' energy: -191.776 flat angles C4'-P-C4' energy: -208.247 flat angles P-C4'-P energy: -137.653 tors. eta vs tors. theta energy: -284.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3033.443955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.443955 (E_RNA) where: Base-Base interactions energy: -2122.565 where: short stacking energy: -904.669 Base-Backbone interact. energy: -2.577 local terms energy: -908.301678 where: bonds (distance) C4'-P energy: -160.918 bonds (distance) P-C4' energy: -156.673 flat angles C4'-P-C4' energy: -208.358 flat angles P-C4'-P energy: -124.652 tors. eta vs tors. theta energy: -257.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2892.104724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.104724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.104724 (E_RNA) where: Base-Base interactions energy: -1934.476 where: short stacking energy: -904.548 Base-Backbone interact. energy: -5.667 local terms energy: -951.961172 where: bonds (distance) C4'-P energy: -176.788 bonds (distance) P-C4' energy: -164.456 flat angles C4'-P-C4' energy: -192.976 flat angles P-C4'-P energy: -148.256 tors. eta vs tors. theta energy: -269.485 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: 438 Temperature: 1.050000 Total energy: -2696.991806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.991806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.991806 (E_RNA) where: Base-Base interactions energy: -1859.498 where: short stacking energy: -801.199 Base-Backbone interact. energy: 1.710 local terms energy: -839.203124 where: bonds (distance) C4'-P energy: -149.240 bonds (distance) P-C4' energy: -172.400 flat angles C4'-P-C4' energy: -203.008 flat angles P-C4'-P energy: -106.137 tors. eta vs tors. theta energy: -208.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2498.579584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.579584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.579584 (E_RNA) where: Base-Base interactions energy: -1709.269 where: short stacking energy: -776.650 Base-Backbone interact. energy: -3.200 local terms energy: -786.110977 where: bonds (distance) C4'-P energy: -138.676 bonds (distance) P-C4' energy: -167.338 flat angles C4'-P-C4' energy: -154.976 flat angles P-C4'-P energy: -120.943 tors. eta vs tors. theta energy: -204.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2381.213799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.213799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.213799 (E_RNA) where: Base-Base interactions energy: -1610.111 where: short stacking energy: -702.514 Base-Backbone interact. energy: 0.486 local terms energy: -771.589214 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -148.318 flat angles C4'-P-C4' energy: -177.380 flat angles P-C4'-P energy: -121.724 tors. eta vs tors. theta energy: -185.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2103.725986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.725986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.725986 (E_RNA) where: Base-Base interactions energy: -1383.948 where: short stacking energy: -643.271 Base-Backbone interact. energy: -1.173 local terms energy: -718.604348 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -154.211 flat angles C4'-P-C4' energy: -160.465 flat angles P-C4'-P energy: -107.645 tors. eta vs tors. theta energy: -150.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1694.682786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.682786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.682786 (E_RNA) where: Base-Base interactions energy: -1067.720 where: short stacking energy: -508.328 Base-Backbone interact. energy: -0.664 local terms energy: -626.298819 where: bonds (distance) C4'-P energy: -129.240 bonds (distance) P-C4' energy: -168.835 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -88.484 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: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1259.237638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.237638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.237638 (E_RNA) where: Base-Base interactions energy: -705.812 where: short stacking energy: -357.616 Base-Backbone interact. energy: 4.874 local terms energy: -558.300039 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -155.678 flat angles C4'-P-C4' energy: -135.693 flat angles P-C4'-P energy: -83.692 tors. eta vs tors. theta energy: -40.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -785.377296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.377296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.377296 (E_RNA) where: Base-Base interactions energy: -331.111 where: short stacking energy: -224.467 Base-Backbone interact. energy: -1.985 local terms energy: -452.281164 where: bonds (distance) C4'-P energy: -136.225 bonds (distance) P-C4' energy: -157.882 flat angles C4'-P-C4' energy: -123.467 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: 28.116 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: 439 Temperature: 0.900000 Total energy: -3099.479603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.479603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.479603 (E_RNA) where: Base-Base interactions energy: -2114.978 where: short stacking energy: -956.216 Base-Backbone interact. energy: -2.538 local terms energy: -981.963934 where: bonds (distance) C4'-P energy: -184.377 bonds (distance) P-C4' energy: -179.552 flat angles C4'-P-C4' energy: -206.797 flat angles P-C4'-P energy: -142.823 tors. eta vs tors. theta energy: -268.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3027.617609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.617609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.617609 (E_RNA) where: Base-Base interactions energy: -2078.548 where: short stacking energy: -920.266 Base-Backbone interact. energy: -2.434 local terms energy: -946.635618 where: bonds (distance) C4'-P energy: -169.879 bonds (distance) P-C4' energy: -192.447 flat angles C4'-P-C4' energy: -194.580 flat angles P-C4'-P energy: -132.151 tors. eta vs tors. theta energy: -257.578 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: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2873.595080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.595080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.595080 (E_RNA) where: Base-Base interactions energy: -1925.562 where: short stacking energy: -886.990 Base-Backbone interact. energy: -1.655 local terms energy: -946.378201 where: bonds (distance) C4'-P energy: -176.814 bonds (distance) P-C4' energy: -177.225 flat angles C4'-P-C4' energy: -192.098 flat angles P-C4'-P energy: -137.928 tors. eta vs tors. theta energy: -262.314 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: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2718.310791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.310791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.310791 (E_RNA) where: Base-Base interactions energy: -1876.852 where: short stacking energy: -833.666 Base-Backbone interact. energy: -3.457 local terms energy: -838.001739 where: bonds (distance) C4'-P energy: -156.747 bonds (distance) P-C4' energy: -157.131 flat angles C4'-P-C4' energy: -180.311 flat angles P-C4'-P energy: -126.637 tors. eta vs tors. theta energy: -217.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2508.853261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.853261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.853261 (E_RNA) where: Base-Base interactions energy: -1640.457 where: short stacking energy: -739.238 Base-Backbone interact. energy: -1.694 local terms energy: -866.701602 where: bonds (distance) C4'-P energy: -154.418 bonds (distance) P-C4' energy: -176.849 flat angles C4'-P-C4' energy: -190.646 flat angles P-C4'-P energy: -135.521 tors. eta vs tors. theta energy: -209.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2379.090705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.090705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.090705 (E_RNA) where: Base-Base interactions energy: -1611.473 where: short stacking energy: -712.306 Base-Backbone interact. energy: 4.718 local terms energy: -772.335807 where: bonds (distance) C4'-P energy: -163.166 bonds (distance) P-C4' energy: -153.182 flat angles C4'-P-C4' energy: -166.696 flat angles P-C4'-P energy: -115.624 tors. eta vs tors. theta energy: -173.667 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: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2147.057586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.057586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.057586 (E_RNA) where: Base-Base interactions energy: -1425.031 where: short stacking energy: -609.404 Base-Backbone interact. energy: 2.413 local terms energy: -724.439383 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -145.341 flat angles C4'-P-C4' energy: -153.354 flat angles P-C4'-P energy: -119.560 tors. eta vs tors. theta energy: -171.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1691.704549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.704549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.704549 (E_RNA) where: Base-Base interactions energy: -1054.018 where: short stacking energy: -505.999 Base-Backbone interact. energy: -2.298 local terms energy: -635.388370 where: bonds (distance) C4'-P energy: -155.523 bonds (distance) P-C4' energy: -147.293 flat angles C4'-P-C4' energy: -139.646 flat angles P-C4'-P energy: -92.313 tors. eta vs tors. theta energy: -100.614 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: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1200.036433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.036433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.036433 (E_RNA) where: Base-Base interactions energy: -662.850 where: short stacking energy: -333.392 Base-Backbone interact. energy: -0.915 local terms energy: -536.270988 where: bonds (distance) C4'-P energy: -171.583 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -114.856 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -838.212202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.212202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.212202 (E_RNA) where: Base-Base interactions energy: -360.932 where: short stacking energy: -226.355 Base-Backbone interact. energy: -2.803 local terms energy: -474.477528 where: bonds (distance) C4'-P energy: -129.486 bonds (distance) P-C4' energy: -146.177 flat angles C4'-P-C4' energy: -126.397 flat angles P-C4'-P energy: -74.928 tors. eta vs tors. theta energy: 2.510 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: 440 Temperature: 0.900000 Total energy: -3109.384070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.384070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.384070 (E_RNA) where: Base-Base interactions energy: -2149.631 where: short stacking energy: -969.152 Base-Backbone interact. energy: -3.077 local terms energy: -956.675647 where: bonds (distance) C4'-P energy: -177.178 bonds (distance) P-C4' energy: -169.735 flat angles C4'-P-C4' energy: -197.649 flat angles P-C4'-P energy: -140.106 tors. eta vs tors. theta energy: -272.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3022.655923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.655923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.655923 (E_RNA) where: Base-Base interactions energy: -2089.209 where: short stacking energy: -905.225 Base-Backbone interact. energy: 1.656 local terms energy: -935.102553 where: bonds (distance) C4'-P energy: -178.108 bonds (distance) P-C4' energy: -171.883 flat angles C4'-P-C4' energy: -196.933 flat angles P-C4'-P energy: -127.471 tors. eta vs tors. theta energy: -260.707 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: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2890.783938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.783938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.783938 (E_RNA) where: Base-Base interactions energy: -1956.911 where: short stacking energy: -898.953 Base-Backbone interact. energy: 1.075 local terms energy: -934.947919 where: bonds (distance) C4'-P energy: -165.797 bonds (distance) P-C4' energy: -178.690 flat angles C4'-P-C4' energy: -198.750 flat angles P-C4'-P energy: -136.271 tors. eta vs tors. theta energy: -255.441 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: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2722.072233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.072233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.072233 (E_RNA) where: Base-Base interactions energy: -1845.119 where: short stacking energy: -803.629 Base-Backbone interact. energy: -0.371 local terms energy: -876.582128 where: bonds (distance) C4'-P energy: -178.640 bonds (distance) P-C4' energy: -168.272 flat angles C4'-P-C4' energy: -184.893 flat angles P-C4'-P energy: -122.685 tors. eta vs tors. theta energy: -222.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2506.852340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.852340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.852340 (E_RNA) where: Base-Base interactions energy: -1674.789 where: short stacking energy: -759.658 Base-Backbone interact. energy: -4.053 local terms energy: -828.010785 where: bonds (distance) C4'-P energy: -147.063 bonds (distance) P-C4' energy: -152.543 flat angles C4'-P-C4' energy: -194.192 flat angles P-C4'-P energy: -130.972 tors. eta vs tors. theta energy: -203.241 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: 440 Temperature: 1.150000 Total energy: -2351.035618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.035618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.035618 (E_RNA) where: Base-Base interactions energy: -1602.358 where: short stacking energy: -685.185 Base-Backbone interact. energy: -1.390 local terms energy: -747.287283 where: bonds (distance) C4'-P energy: -138.576 bonds (distance) P-C4' energy: -153.930 flat angles C4'-P-C4' energy: -176.969 flat angles P-C4'-P energy: -90.609 tors. eta vs tors. theta energy: -187.203 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: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2162.932728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.932728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.932728 (E_RNA) where: Base-Base interactions energy: -1446.102 where: short stacking energy: -655.572 Base-Backbone interact. energy: 0.219 local terms energy: -717.049635 where: bonds (distance) C4'-P energy: -156.229 bonds (distance) P-C4' energy: -141.891 flat angles C4'-P-C4' energy: -149.184 flat angles P-C4'-P energy: -114.140 tors. eta vs tors. theta energy: -155.607 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: 440 Temperature: 1.250000 Total energy: -1669.967878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.967878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.967878 (E_RNA) where: Base-Base interactions energy: -1077.253 where: short stacking energy: -496.704 Base-Backbone interact. energy: -2.317 local terms energy: -590.397697 where: bonds (distance) C4'-P energy: -135.770 bonds (distance) P-C4' energy: -136.511 flat angles C4'-P-C4' energy: -129.301 flat angles P-C4'-P energy: -90.304 tors. eta vs tors. theta energy: -98.513 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: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1195.599336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.599336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.599336 (E_RNA) where: Base-Base interactions energy: -692.958 where: short stacking energy: -371.697 Base-Backbone interact. energy: 1.931 local terms energy: -504.572783 where: bonds (distance) C4'-P energy: -144.264 bonds (distance) P-C4' energy: -130.736 flat angles C4'-P-C4' energy: -132.293 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: -18.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -885.510134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.510134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.510134 (E_RNA) where: Base-Base interactions energy: -440.218 where: short stacking energy: -267.163 Base-Backbone interact. energy: -1.036 local terms energy: -444.256000 where: bonds (distance) C4'-P energy: -121.263 bonds (distance) P-C4' energy: -128.159 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3088.191854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.191854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.191854 (E_RNA) where: Base-Base interactions energy: -2124.344 where: short stacking energy: -959.898 Base-Backbone interact. energy: -1.206 local terms energy: -962.641580 where: bonds (distance) C4'-P energy: -188.886 bonds (distance) P-C4' energy: -157.228 flat angles C4'-P-C4' energy: -199.937 flat angles P-C4'-P energy: -136.102 tors. eta vs tors. theta energy: -280.489 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3033.175421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.175421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.175421 (E_RNA) where: Base-Base interactions energy: -2082.607 where: short stacking energy: -906.627 Base-Backbone interact. energy: -5.151 local terms energy: -945.417129 where: bonds (distance) C4'-P energy: -166.934 bonds (distance) P-C4' energy: -177.553 flat angles C4'-P-C4' energy: -197.176 flat angles P-C4'-P energy: -138.976 tors. eta vs tors. theta energy: -264.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2887.691776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.691776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.691776 (E_RNA) where: Base-Base interactions energy: -1964.631 where: short stacking energy: -888.682 Base-Backbone interact. energy: -2.692 local terms energy: -920.369431 where: bonds (distance) C4'-P energy: -173.179 bonds (distance) P-C4' energy: -174.628 flat angles C4'-P-C4' energy: -192.887 flat angles P-C4'-P energy: -119.840 tors. eta vs tors. theta energy: -259.835 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: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2675.177054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.177054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.177054 (E_RNA) where: Base-Base interactions energy: -1838.941 where: short stacking energy: -816.360 Base-Backbone interact. energy: -1.438 local terms energy: -834.797981 where: bonds (distance) C4'-P energy: -171.549 bonds (distance) P-C4' energy: -164.990 flat angles C4'-P-C4' energy: -188.039 flat angles P-C4'-P energy: -95.224 tors. eta vs tors. theta energy: -214.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2466.956902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.956902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.956902 (E_RNA) where: Base-Base interactions energy: -1658.733 where: short stacking energy: -738.003 Base-Backbone interact. energy: -2.622 local terms energy: -805.601765 where: bonds (distance) C4'-P energy: -157.517 bonds (distance) P-C4' energy: -163.430 flat angles C4'-P-C4' energy: -181.219 flat angles P-C4'-P energy: -117.340 tors. eta vs tors. theta energy: -186.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2365.331289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.331289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.331289 (E_RNA) where: Base-Base interactions energy: -1600.901 where: short stacking energy: -705.158 Base-Backbone interact. energy: -2.528 local terms energy: -761.902063 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -187.364 flat angles P-C4'-P energy: -103.921 tors. eta vs tors. theta energy: -184.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2150.174989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.174989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.174989 (E_RNA) where: Base-Base interactions energy: -1411.666 where: short stacking energy: -634.783 Base-Backbone interact. energy: -3.044 local terms energy: -735.465669 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -160.204 flat angles C4'-P-C4' energy: -178.190 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -172.388 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: 8, replica: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1591.436017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.436017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.436017 (E_RNA) where: Base-Base interactions energy: -980.928 where: short stacking energy: -458.853 Base-Backbone interact. energy: 1.872 local terms energy: -612.380304 where: bonds (distance) C4'-P energy: -159.064 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -86.656 tors. eta vs tors. theta energy: -78.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1178.991666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.991666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.991666 (E_RNA) where: Base-Base interactions energy: -659.166 where: short stacking energy: -342.752 Base-Backbone interact. energy: 1.752 local terms energy: -521.577808 where: bonds (distance) C4'-P energy: -133.671 bonds (distance) P-C4' energy: -142.260 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -26.664 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: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -860.856410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.856410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.856410 (E_RNA) where: Base-Base interactions energy: -416.893 where: short stacking energy: -248.807 Base-Backbone interact. energy: -3.142 local terms energy: -440.821270 where: bonds (distance) C4'-P energy: -139.864 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -66.795 tors. eta vs tors. theta energy: 27.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3112.588254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.588254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.588254 (E_RNA) where: Base-Base interactions energy: -2117.375 where: short stacking energy: -971.088 Base-Backbone interact. energy: -2.377 local terms energy: -992.836236 where: bonds (distance) C4'-P energy: -200.237 bonds (distance) P-C4' energy: -176.469 flat angles C4'-P-C4' energy: -213.716 flat angles P-C4'-P energy: -124.312 tors. eta vs tors. theta energy: -278.103 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: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3050.630764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.630764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.630764 (E_RNA) where: Base-Base interactions energy: -2088.642 where: short stacking energy: -905.523 Base-Backbone interact. energy: -5.154 local terms energy: -956.834511 where: bonds (distance) C4'-P energy: -184.644 bonds (distance) P-C4' energy: -171.074 flat angles C4'-P-C4' energy: -196.224 flat angles P-C4'-P energy: -148.118 tors. eta vs tors. theta energy: -256.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2887.093458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.093458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.093458 (E_RNA) where: Base-Base interactions energy: -1983.810 where: short stacking energy: -908.733 Base-Backbone interact. energy: 3.971 local terms energy: -907.254371 where: bonds (distance) C4'-P energy: -159.133 bonds (distance) P-C4' energy: -170.434 flat angles C4'-P-C4' energy: -202.168 flat angles P-C4'-P energy: -120.206 tors. eta vs tors. theta energy: -255.313 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: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2663.229843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.229843 (E_RNA) where: Base-Base interactions energy: -1819.431 where: short stacking energy: -811.780 Base-Backbone interact. energy: 2.614 local terms energy: -846.412633 where: bonds (distance) C4'-P energy: -170.281 bonds (distance) P-C4' energy: -159.691 flat angles C4'-P-C4' energy: -173.276 flat angles P-C4'-P energy: -112.420 tors. eta vs tors. theta energy: -230.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2456.384239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.384239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.384239 (E_RNA) where: Base-Base interactions energy: -1656.236 where: short stacking energy: -731.516 Base-Backbone interact. energy: -1.233 local terms energy: -798.915214 where: bonds (distance) C4'-P energy: -157.894 bonds (distance) P-C4' energy: -159.881 flat angles C4'-P-C4' energy: -176.612 flat angles P-C4'-P energy: -113.877 tors. eta vs tors. theta energy: -190.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2365.952149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.952149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.952149 (E_RNA) where: Base-Base interactions energy: -1604.314 where: short stacking energy: -707.063 Base-Backbone interact. energy: -1.535 local terms energy: -760.103400 where: bonds (distance) C4'-P energy: -150.805 bonds (distance) P-C4' energy: -149.824 flat angles C4'-P-C4' energy: -164.537 flat angles P-C4'-P energy: -111.902 tors. eta vs tors. theta energy: -183.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2151.083819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.083819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.083819 (E_RNA) where: Base-Base interactions energy: -1434.802 where: short stacking energy: -637.368 Base-Backbone interact. energy: -0.172 local terms energy: -716.109259 where: bonds (distance) C4'-P energy: -156.418 bonds (distance) P-C4' energy: -167.133 flat angles C4'-P-C4' energy: -140.771 flat angles P-C4'-P energy: -93.191 tors. eta vs tors. theta energy: -158.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1647.850304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.850304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.850304 (E_RNA) where: Base-Base interactions energy: -1044.053 where: short stacking energy: -490.521 Base-Backbone interact. energy: 3.908 local terms energy: -607.704965 where: bonds (distance) C4'-P energy: -145.085 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -138.608 flat angles P-C4'-P energy: -86.413 tors. eta vs tors. theta energy: -95.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1173.581264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.581264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.581264 (E_RNA) where: Base-Base interactions energy: -635.104 where: short stacking energy: -349.216 Base-Backbone interact. energy: 3.626 local terms energy: -542.102978 where: bonds (distance) C4'-P energy: -140.281 bonds (distance) P-C4' energy: -150.320 flat angles C4'-P-C4' energy: -134.802 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -38.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -846.264294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.264294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.264294 (E_RNA) where: Base-Base interactions energy: -352.016 where: short stacking energy: -239.470 Base-Backbone interact. energy: -0.030 local terms energy: -494.218302 where: bonds (distance) C4'-P energy: -145.727 bonds (distance) P-C4' energy: -176.901 flat angles C4'-P-C4' energy: -133.694 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: 12.816 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: 443 Temperature: 0.900000 Total energy: -3120.173095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.173095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.173095 (E_RNA) where: Base-Base interactions energy: -2117.702 where: short stacking energy: -971.261 Base-Backbone interact. energy: -3.016 local terms energy: -999.454582 where: bonds (distance) C4'-P energy: -185.674 bonds (distance) P-C4' energy: -174.006 flat angles C4'-P-C4' energy: -210.519 flat angles P-C4'-P energy: -136.672 tors. eta vs tors. theta energy: -292.584 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: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3050.013135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.013135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.013135 (E_RNA) where: Base-Base interactions energy: -2084.105 where: short stacking energy: -918.904 Base-Backbone interact. energy: -4.381 local terms energy: -961.527546 where: bonds (distance) C4'-P energy: -162.201 bonds (distance) P-C4' energy: -181.622 flat angles C4'-P-C4' energy: -216.453 flat angles P-C4'-P energy: -140.966 tors. eta vs tors. theta energy: -260.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2885.254244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.254244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.254244 (E_RNA) where: Base-Base interactions energy: -1990.165 where: short stacking energy: -894.842 Base-Backbone interact. energy: -1.931 local terms energy: -893.158713 where: bonds (distance) C4'-P energy: -160.275 bonds (distance) P-C4' energy: -156.444 flat angles C4'-P-C4' energy: -204.114 flat angles P-C4'-P energy: -115.376 tors. eta vs tors. theta energy: -256.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2734.571123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.571123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.571123 (E_RNA) where: Base-Base interactions energy: -1871.201 where: short stacking energy: -813.903 Base-Backbone interact. energy: 1.303 local terms energy: -864.673292 where: bonds (distance) C4'-P energy: -168.490 bonds (distance) P-C4' energy: -141.794 flat angles C4'-P-C4' energy: -188.739 flat angles P-C4'-P energy: -132.216 tors. eta vs tors. theta energy: -233.435 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: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2443.346445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.346445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.346445 (E_RNA) where: Base-Base interactions energy: -1637.345 where: short stacking energy: -739.735 Base-Backbone interact. energy: -1.478 local terms energy: -804.523580 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -167.168 flat angles C4'-P-C4' energy: -182.401 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -190.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2369.388752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.388752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.388752 (E_RNA) where: Base-Base interactions energy: -1621.826 where: short stacking energy: -710.180 Base-Backbone interact. energy: -4.394 local terms energy: -743.168295 where: bonds (distance) C4'-P energy: -151.586 bonds (distance) P-C4' energy: -149.975 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -101.915 tors. eta vs tors. theta energy: -170.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2110.512186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.512186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.512186 (E_RNA) where: Base-Base interactions energy: -1411.837 where: short stacking energy: -644.466 Base-Backbone interact. energy: -1.844 local terms energy: -696.831124 where: bonds (distance) C4'-P energy: -133.712 bonds (distance) P-C4' energy: -144.199 flat angles C4'-P-C4' energy: -159.835 flat angles P-C4'-P energy: -103.683 tors. eta vs tors. theta energy: -155.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1666.585602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.585602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.585602 (E_RNA) where: Base-Base interactions energy: -1044.909 where: short stacking energy: -487.388 Base-Backbone interact. energy: -0.042 local terms energy: -621.633924 where: bonds (distance) C4'-P energy: -157.182 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -157.524 flat angles P-C4'-P energy: -79.320 tors. eta vs tors. theta energy: -85.998 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: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1173.209393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.209393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.209393 (E_RNA) where: Base-Base interactions energy: -666.342 where: short stacking energy: -379.548 Base-Backbone interact. energy: 2.368 local terms energy: -509.235402 where: bonds (distance) C4'-P energy: -141.743 bonds (distance) P-C4' energy: -141.130 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -77.433 tors. eta vs tors. theta energy: -31.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -760.657909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.657909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.657909 (E_RNA) where: Base-Base interactions energy: -319.897 where: short stacking energy: -203.729 Base-Backbone interact. energy: -1.281 local terms energy: -439.480385 where: bonds (distance) C4'-P energy: -141.479 bonds (distance) P-C4' energy: -152.338 flat angles C4'-P-C4' energy: -110.906 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: 24.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3115.559833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.559833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.559833 (E_RNA) where: Base-Base interactions energy: -2130.984 where: short stacking energy: -953.011 Base-Backbone interact. energy: -0.839 local terms energy: -983.737782 where: bonds (distance) C4'-P energy: -167.444 bonds (distance) P-C4' energy: -195.250 flat angles C4'-P-C4' energy: -204.469 flat angles P-C4'-P energy: -140.493 tors. eta vs tors. theta energy: -276.081 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: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3012.829558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.829558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.829558 (E_RNA) where: Base-Base interactions energy: -2097.395 where: short stacking energy: -912.407 Base-Backbone interact. energy: -0.586 local terms energy: -914.847935 where: bonds (distance) C4'-P energy: -166.339 bonds (distance) P-C4' energy: -164.053 flat angles C4'-P-C4' energy: -190.434 flat angles P-C4'-P energy: -131.127 tors. eta vs tors. theta energy: -262.895 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: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2855.790520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.790520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.790520 (E_RNA) where: Base-Base interactions energy: -1951.401 where: short stacking energy: -885.618 Base-Backbone interact. energy: 1.763 local terms energy: -906.152119 where: bonds (distance) C4'-P energy: -172.439 bonds (distance) P-C4' energy: -171.525 flat angles C4'-P-C4' energy: -184.686 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -258.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2728.927868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.927868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.927868 (E_RNA) where: Base-Base interactions energy: -1842.432 where: short stacking energy: -820.579 Base-Backbone interact. energy: -4.189 local terms energy: -882.306786 where: bonds (distance) C4'-P energy: -187.508 bonds (distance) P-C4' energy: -159.051 flat angles C4'-P-C4' energy: -182.526 flat angles P-C4'-P energy: -127.658 tors. eta vs tors. theta energy: -225.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2456.294337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.294337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.294337 (E_RNA) where: Base-Base interactions energy: -1595.003 where: short stacking energy: -725.417 Base-Backbone interact. energy: 3.378 local terms energy: -864.668838 where: bonds (distance) C4'-P energy: -178.942 bonds (distance) P-C4' energy: -158.052 flat angles C4'-P-C4' energy: -198.355 flat angles P-C4'-P energy: -122.853 tors. eta vs tors. theta energy: -206.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2407.551705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.551705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.551705 (E_RNA) where: Base-Base interactions energy: -1596.815 where: short stacking energy: -689.020 Base-Backbone interact. energy: 0.002 local terms energy: -810.738682 where: bonds (distance) C4'-P energy: -131.626 bonds (distance) P-C4' energy: -191.295 flat angles C4'-P-C4' energy: -180.101 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -189.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2065.997079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.997079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.997079 (E_RNA) where: Base-Base interactions energy: -1337.087 where: short stacking energy: -579.627 Base-Backbone interact. energy: -0.647 local terms energy: -728.263054 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -163.239 flat angles C4'-P-C4' energy: -162.589 flat angles P-C4'-P energy: -127.360 tors. eta vs tors. theta energy: -132.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1719.647572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.647572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.647572 (E_RNA) where: Base-Base interactions energy: -1094.246 where: short stacking energy: -476.094 Base-Backbone interact. energy: -1.488 local terms energy: -623.913902 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -152.413 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -85.272 tors. eta vs tors. theta energy: -92.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1137.808958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.808958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.808958 (E_RNA) where: Base-Base interactions energy: -635.001 where: short stacking energy: -325.377 Base-Backbone interact. energy: 11.786 local terms energy: -514.594612 where: bonds (distance) C4'-P energy: -147.748 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -122.486 flat angles P-C4'-P energy: -92.144 tors. eta vs tors. theta energy: -7.763 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: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -782.142836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.142836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.142836 (E_RNA) where: Base-Base interactions energy: -317.133 where: short stacking energy: -199.948 Base-Backbone interact. energy: 8.702 local terms energy: -473.711681 where: bonds (distance) C4'-P energy: -156.799 bonds (distance) P-C4' energy: -150.270 flat angles C4'-P-C4' energy: -145.318 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: 41.359 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: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3106.552493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.552493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.552493 (E_RNA) where: Base-Base interactions energy: -2146.743 where: short stacking energy: -948.084 Base-Backbone interact. energy: -0.079 local terms energy: -959.729763 where: bonds (distance) C4'-P energy: -181.237 bonds (distance) P-C4' energy: -179.716 flat angles C4'-P-C4' energy: -207.067 flat angles P-C4'-P energy: -126.965 tors. eta vs tors. theta energy: -264.746 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: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3027.397385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.397385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.397385 (E_RNA) where: Base-Base interactions energy: -2088.115 where: short stacking energy: -915.744 Base-Backbone interact. energy: -2.988 local terms energy: -936.294535 where: bonds (distance) C4'-P energy: -170.170 bonds (distance) P-C4' energy: -177.234 flat angles C4'-P-C4' energy: -194.026 flat angles P-C4'-P energy: -132.440 tors. eta vs tors. theta energy: -262.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2866.762296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.762296 (E_RNA) where: Base-Base interactions energy: -1942.109 where: short stacking energy: -868.723 Base-Backbone interact. energy: -1.770 local terms energy: -922.883530 where: bonds (distance) C4'-P energy: -184.079 bonds (distance) P-C4' energy: -181.329 flat angles C4'-P-C4' energy: -195.724 flat angles P-C4'-P energy: -112.319 tors. eta vs tors. theta energy: -249.432 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: 8 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2696.194121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.194121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.194121 (E_RNA) where: Base-Base interactions energy: -1841.845 where: short stacking energy: -806.942 Base-Backbone interact. energy: -1.800 local terms energy: -852.548548 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -173.815 flat angles C4'-P-C4' energy: -189.711 flat angles P-C4'-P energy: -102.980 tors. eta vs tors. theta energy: -219.296 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: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2451.001731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.001731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.001731 (E_RNA) where: Base-Base interactions energy: -1646.381 where: short stacking energy: -747.020 Base-Backbone interact. energy: -0.275 local terms energy: -804.345502 where: bonds (distance) C4'-P energy: -136.313 bonds (distance) P-C4' energy: -171.925 flat angles C4'-P-C4' energy: -178.737 flat angles P-C4'-P energy: -122.199 tors. eta vs tors. theta energy: -195.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2280.916716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.916716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.916716 (E_RNA) where: Base-Base interactions energy: -1551.788 where: short stacking energy: -670.653 Base-Backbone interact. energy: 6.871 local terms energy: -735.999397 where: bonds (distance) C4'-P energy: -149.948 bonds (distance) P-C4' energy: -152.642 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -172.699 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2110.877899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.877899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.877899 (E_RNA) where: Base-Base interactions energy: -1375.885 where: short stacking energy: -613.598 Base-Backbone interact. energy: -0.221 local terms energy: -734.772057 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -171.703 flat angles C4'-P-C4' energy: -160.183 flat angles P-C4'-P energy: -99.559 tors. eta vs tors. theta energy: -143.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1734.620943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.620943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.620943 (E_RNA) where: Base-Base interactions energy: -1090.563 where: short stacking energy: -473.953 Base-Backbone interact. energy: 1.226 local terms energy: -645.284137 where: bonds (distance) C4'-P energy: -159.445 bonds (distance) P-C4' energy: -135.895 flat angles C4'-P-C4' energy: -147.668 flat angles P-C4'-P energy: -103.136 tors. eta vs tors. theta energy: -99.141 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: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1224.293727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.293727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.293727 (E_RNA) where: Base-Base interactions energy: -680.609 where: short stacking energy: -361.130 Base-Backbone interact. energy: 0.042 local terms energy: -543.727043 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -163.665 flat angles C4'-P-C4' energy: -150.467 flat angles P-C4'-P energy: -72.082 tors. eta vs tors. theta energy: -31.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -799.374806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.374806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.374806 (E_RNA) where: Base-Base interactions energy: -316.478 where: short stacking energy: -217.384 Base-Backbone interact. energy: 2.629 local terms energy: -485.525943 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -134.741 flat angles P-C4'-P energy: -77.370 tors. eta vs tors. theta energy: 5.937 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: 446 Temperature: 0.900000 Total energy: -3101.886461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.886461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.886461 (E_RNA) where: Base-Base interactions energy: -2119.693 where: short stacking energy: -950.234 Base-Backbone interact. energy: -0.120 local terms energy: -982.073105 where: bonds (distance) C4'-P energy: -176.614 bonds (distance) P-C4' energy: -172.795 flat angles C4'-P-C4' energy: -214.912 flat angles P-C4'-P energy: -136.504 tors. eta vs tors. theta energy: -281.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3046.904747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.904747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.904747 (E_RNA) where: Base-Base interactions energy: -2130.099 where: short stacking energy: -926.221 Base-Backbone interact. energy: 0.107 local terms energy: -916.913053 where: bonds (distance) C4'-P energy: -159.506 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -202.093 flat angles P-C4'-P energy: -134.319 tors. eta vs tors. theta energy: -267.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2783.847542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.847542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.847542 (E_RNA) where: Base-Base interactions energy: -1892.152 where: short stacking energy: -859.047 Base-Backbone interact. energy: 8.605 local terms energy: -900.300014 where: bonds (distance) C4'-P energy: -170.393 bonds (distance) P-C4' energy: -167.207 flat angles C4'-P-C4' energy: -192.276 flat angles P-C4'-P energy: -137.873 tors. eta vs tors. theta energy: -232.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2783.606759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.606759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.606759 (E_RNA) where: Base-Base interactions energy: -1904.567 where: short stacking energy: -836.812 Base-Backbone interact. energy: -1.153 local terms energy: -877.886669 where: bonds (distance) C4'-P energy: -152.936 bonds (distance) P-C4' energy: -162.211 flat angles C4'-P-C4' energy: -199.027 flat angles P-C4'-P energy: -127.847 tors. eta vs tors. theta energy: -235.865 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: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2455.474714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.474714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.474714 (E_RNA) where: Base-Base interactions energy: -1655.961 where: short stacking energy: -718.984 Base-Backbone interact. energy: -1.354 local terms energy: -798.159431 where: bonds (distance) C4'-P energy: -163.467 bonds (distance) P-C4' energy: -173.778 flat angles C4'-P-C4' energy: -167.867 flat angles P-C4'-P energy: -111.905 tors. eta vs tors. theta energy: -181.143 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2357.561077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.561077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.561077 (E_RNA) where: Base-Base interactions energy: -1593.457 where: short stacking energy: -731.643 Base-Backbone interact. energy: -2.154 local terms energy: -761.949988 where: bonds (distance) C4'-P energy: -148.089 bonds (distance) P-C4' energy: -143.692 flat angles C4'-P-C4' energy: -158.866 flat angles P-C4'-P energy: -130.145 tors. eta vs tors. theta energy: -181.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2045.005615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.005615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.005615 (E_RNA) where: Base-Base interactions energy: -1323.493 where: short stacking energy: -615.078 Base-Backbone interact. energy: -2.716 local terms energy: -718.796231 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -160.069 flat angles C4'-P-C4' energy: -158.972 flat angles P-C4'-P energy: -116.097 tors. eta vs tors. theta energy: -159.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1719.166622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.166622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.166622 (E_RNA) where: Base-Base interactions energy: -1128.771 where: short stacking energy: -497.149 Base-Backbone interact. energy: -1.704 local terms energy: -588.691948 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -145.044 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: -92.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1137.172322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.172322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.172322 (E_RNA) where: Base-Base interactions energy: -624.841 where: short stacking energy: -336.355 Base-Backbone interact. energy: 9.540 local terms energy: -521.871579 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -144.936 flat angles C4'-P-C4' energy: -127.986 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -18.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -779.281013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.281013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.281013 (E_RNA) where: Base-Base interactions energy: -320.708 where: short stacking energy: -198.001 Base-Backbone interact. energy: -0.237 local terms energy: -458.336072 where: bonds (distance) C4'-P energy: -170.340 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -137.908 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: 33.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3101.852866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.852866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.852866 (E_RNA) where: Base-Base interactions energy: -2102.040 where: short stacking energy: -969.886 Base-Backbone interact. energy: -3.118 local terms energy: -996.694522 where: bonds (distance) C4'-P energy: -188.295 bonds (distance) P-C4' energy: -193.637 flat angles C4'-P-C4' energy: -194.283 flat angles P-C4'-P energy: -136.149 tors. eta vs tors. theta energy: -284.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3082.381852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.381852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.381852 (E_RNA) where: Base-Base interactions energy: -2105.459 where: short stacking energy: -931.970 Base-Backbone interact. energy: -3.694 local terms energy: -973.229311 where: bonds (distance) C4'-P energy: -183.679 bonds (distance) P-C4' energy: -182.407 flat angles C4'-P-C4' energy: -197.923 flat angles P-C4'-P energy: -136.124 tors. eta vs tors. theta energy: -273.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2757.181289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.181289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.181289 (E_RNA) where: Base-Base interactions energy: -1847.133 where: short stacking energy: -855.512 Base-Backbone interact. energy: -0.510 local terms energy: -909.537866 where: bonds (distance) C4'-P energy: -183.440 bonds (distance) P-C4' energy: -156.961 flat angles C4'-P-C4' energy: -190.904 flat angles P-C4'-P energy: -135.940 tors. eta vs tors. theta energy: -242.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2786.655545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.655545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.655545 (E_RNA) where: Base-Base interactions energy: -1927.715 where: short stacking energy: -856.985 Base-Backbone interact. energy: -0.039 local terms energy: -858.901679 where: bonds (distance) C4'-P energy: -164.535 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -112.560 tors. eta vs tors. theta energy: -238.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2460.587003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.587003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.587003 (E_RNA) where: Base-Base interactions energy: -1638.864 where: short stacking energy: -733.105 Base-Backbone interact. energy: 0.133 local terms energy: -821.855340 where: bonds (distance) C4'-P energy: -170.627 bonds (distance) P-C4' energy: -169.218 flat angles C4'-P-C4' energy: -176.304 flat angles P-C4'-P energy: -104.619 tors. eta vs tors. theta energy: -201.088 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2290.956951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.956951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.956951 (E_RNA) where: Base-Base interactions energy: -1507.665 where: short stacking energy: -684.840 Base-Backbone interact. energy: 1.029 local terms energy: -784.320449 where: bonds (distance) C4'-P energy: -146.657 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -176.552 flat angles P-C4'-P energy: -112.062 tors. eta vs tors. theta energy: -191.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2154.788977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.788977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.788977 (E_RNA) where: Base-Base interactions energy: -1437.689 where: short stacking energy: -646.177 Base-Backbone interact. energy: -3.734 local terms energy: -713.365812 where: bonds (distance) C4'-P energy: -125.972 bonds (distance) P-C4' energy: -151.005 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -106.006 tors. eta vs tors. theta energy: -163.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1744.152600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.152600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.152600 (E_RNA) where: Base-Base interactions energy: -1093.878 where: short stacking energy: -493.558 Base-Backbone interact. energy: 4.201 local terms energy: -654.475155 where: bonds (distance) C4'-P energy: -142.057 bonds (distance) P-C4' energy: -149.879 flat angles C4'-P-C4' energy: -157.981 flat angles P-C4'-P energy: -103.017 tors. eta vs tors. theta energy: -101.541 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: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1080.878203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.878203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.878203 (E_RNA) where: Base-Base interactions energy: -591.389 where: short stacking energy: -322.743 Base-Backbone interact. energy: -2.620 local terms energy: -486.869217 where: bonds (distance) C4'-P energy: -138.576 bonds (distance) P-C4' energy: -145.435 flat angles C4'-P-C4' energy: -110.036 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -22.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -921.539538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.539538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.539538 (E_RNA) where: Base-Base interactions energy: -446.835 where: short stacking energy: -275.328 Base-Backbone interact. energy: 12.017 local terms energy: -486.722083 where: bonds (distance) C4'-P energy: -150.563 bonds (distance) P-C4' energy: -136.816 flat angles C4'-P-C4' energy: -136.443 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3095.115329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.115329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.115329 (E_RNA) where: Base-Base interactions energy: -2123.215 where: short stacking energy: -920.083 Base-Backbone interact. energy: -3.498 local terms energy: -968.401899 where: bonds (distance) C4'-P energy: -174.339 bonds (distance) P-C4' energy: -179.167 flat angles C4'-P-C4' energy: -203.602 flat angles P-C4'-P energy: -144.040 tors. eta vs tors. theta energy: -267.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3083.423888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.423888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.423888 (E_RNA) where: Base-Base interactions energy: -2140.754 where: short stacking energy: -941.980 Base-Backbone interact. energy: -8.418 local terms energy: -934.251416 where: bonds (distance) C4'-P energy: -171.437 bonds (distance) P-C4' energy: -165.090 flat angles C4'-P-C4' energy: -202.204 flat angles P-C4'-P energy: -136.293 tors. eta vs tors. theta energy: -259.227 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: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2884.870720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.870720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.870720 (E_RNA) where: Base-Base interactions energy: -1975.632 where: short stacking energy: -866.144 Base-Backbone interact. energy: -0.321 local terms energy: -908.917690 where: bonds (distance) C4'-P energy: -167.631 bonds (distance) P-C4' energy: -171.888 flat angles C4'-P-C4' energy: -198.133 flat angles P-C4'-P energy: -112.478 tors. eta vs tors. theta energy: -258.788 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: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2683.268055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.268055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.268055 (E_RNA) where: Base-Base interactions energy: -1834.283 where: short stacking energy: -787.326 Base-Backbone interact. energy: -1.919 local terms energy: -847.066165 where: bonds (distance) C4'-P energy: -160.599 bonds (distance) P-C4' energy: -151.554 flat angles C4'-P-C4' energy: -198.364 flat angles P-C4'-P energy: -118.871 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: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2492.006183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.006183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.006183 (E_RNA) where: Base-Base interactions energy: -1697.180 where: short stacking energy: -721.511 Base-Backbone interact. energy: -3.950 local terms energy: -790.875686 where: bonds (distance) C4'-P energy: -147.753 bonds (distance) P-C4' energy: -164.413 flat angles C4'-P-C4' energy: -180.686 flat angles P-C4'-P energy: -114.951 tors. eta vs tors. theta energy: -183.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2295.029237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.029237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.029237 (E_RNA) where: Base-Base interactions energy: -1539.608 where: short stacking energy: -676.107 Base-Backbone interact. energy: -2.785 local terms energy: -752.636721 where: bonds (distance) C4'-P energy: -157.734 bonds (distance) P-C4' energy: -164.105 flat angles C4'-P-C4' energy: -148.621 flat angles P-C4'-P energy: -103.492 tors. eta vs tors. theta energy: -178.684 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2115.105179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.105179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.105179 (E_RNA) where: Base-Base interactions energy: -1405.623 where: short stacking energy: -620.466 Base-Backbone interact. energy: -2.324 local terms energy: -707.158316 where: bonds (distance) C4'-P energy: -142.162 bonds (distance) P-C4' energy: -164.499 flat angles C4'-P-C4' energy: -155.992 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -133.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1710.481036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.481036 (E_RNA) where: Base-Base interactions energy: -1078.365 where: short stacking energy: -439.237 Base-Backbone interact. energy: -0.390 local terms energy: -631.726414 where: bonds (distance) C4'-P energy: -145.439 bonds (distance) P-C4' energy: -159.554 flat angles C4'-P-C4' energy: -159.933 flat angles P-C4'-P energy: -88.576 tors. eta vs tors. theta energy: -78.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1148.496084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.496084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.496084 (E_RNA) where: Base-Base interactions energy: -604.000 where: short stacking energy: -303.907 Base-Backbone interact. energy: -0.580 local terms energy: -543.916056 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -145.187 flat angles C4'-P-C4' energy: -113.723 flat angles P-C4'-P energy: -102.294 tors. eta vs tors. theta energy: -24.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -895.893362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.893362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.893362 (E_RNA) where: Base-Base interactions energy: -436.853 where: short stacking energy: -239.356 Base-Backbone interact. energy: 3.075 local terms energy: -462.115438 where: bonds (distance) C4'-P energy: -125.081 bonds (distance) P-C4' energy: -157.264 flat angles C4'-P-C4' energy: -125.417 flat angles P-C4'-P energy: -84.279 tors. eta vs tors. theta energy: 29.926 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: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3095.620638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.620638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.620638 (E_RNA) where: Base-Base interactions energy: -2118.830 where: short stacking energy: -914.349 Base-Backbone interact. energy: -0.094 local terms energy: -976.696692 where: bonds (distance) C4'-P energy: -177.274 bonds (distance) P-C4' energy: -185.634 flat angles C4'-P-C4' energy: -217.234 flat angles P-C4'-P energy: -135.423 tors. eta vs tors. theta energy: -261.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3068.208503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.208503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.208503 (E_RNA) where: Base-Base interactions energy: -2113.235 where: short stacking energy: -921.465 Base-Backbone interact. energy: -2.933 local terms energy: -952.039706 where: bonds (distance) C4'-P energy: -185.895 bonds (distance) P-C4' energy: -155.272 flat angles C4'-P-C4' energy: -206.196 flat angles P-C4'-P energy: -136.369 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: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2901.573281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.573281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.573281 (E_RNA) where: Base-Base interactions energy: -1956.314 where: short stacking energy: -873.046 Base-Backbone interact. energy: -0.818 local terms energy: -944.442106 where: bonds (distance) C4'-P energy: -182.121 bonds (distance) P-C4' energy: -157.079 flat angles C4'-P-C4' energy: -207.968 flat angles P-C4'-P energy: -139.720 tors. eta vs tors. theta energy: -257.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2635.527723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.527723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.527723 (E_RNA) where: Base-Base interactions energy: -1786.263 where: short stacking energy: -772.088 Base-Backbone interact. energy: 6.427 local terms energy: -855.691911 where: bonds (distance) C4'-P energy: -166.305 bonds (distance) P-C4' energy: -154.037 flat angles C4'-P-C4' energy: -195.614 flat angles P-C4'-P energy: -134.546 tors. eta vs tors. theta energy: -205.189 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: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2460.660612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.660612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.660612 (E_RNA) where: Base-Base interactions energy: -1673.878 where: short stacking energy: -726.110 Base-Backbone interact. energy: 0.022 local terms energy: -786.804808 where: bonds (distance) C4'-P energy: -161.176 bonds (distance) P-C4' energy: -148.655 flat angles C4'-P-C4' energy: -187.390 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -187.430 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: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2211.691076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.691076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.691076 (E_RNA) where: Base-Base interactions energy: -1484.827 where: short stacking energy: -674.125 Base-Backbone interact. energy: -1.454 local terms energy: -725.410385 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -161.213 flat angles C4'-P-C4' energy: -172.557 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -167.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2194.594479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.594479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.594479 (E_RNA) where: Base-Base interactions energy: -1466.422 where: short stacking energy: -649.923 Base-Backbone interact. energy: 3.660 local terms energy: -731.832153 where: bonds (distance) C4'-P energy: -139.742 bonds (distance) P-C4' energy: -151.321 flat angles C4'-P-C4' energy: -173.158 flat angles P-C4'-P energy: -105.458 tors. eta vs tors. theta energy: -162.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1750.102680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.102680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.102680 (E_RNA) where: Base-Base interactions energy: -1118.634 where: short stacking energy: -511.650 Base-Backbone interact. energy: 1.446 local terms energy: -632.914694 where: bonds (distance) C4'-P energy: -142.225 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -156.910 flat angles P-C4'-P energy: -76.236 tors. eta vs tors. theta energy: -102.462 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: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1142.462090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.462090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.462090 (E_RNA) where: Base-Base interactions energy: -620.790 where: short stacking energy: -311.843 Base-Backbone interact. energy: -0.712 local terms energy: -520.959672 where: bonds (distance) C4'-P energy: -135.119 bonds (distance) P-C4' energy: -159.498 flat angles C4'-P-C4' energy: -109.307 flat angles P-C4'-P energy: -99.128 tors. eta vs tors. theta energy: -17.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -904.116161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.116161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.116161 (E_RNA) where: Base-Base interactions energy: -438.291 where: short stacking energy: -267.384 Base-Backbone interact. energy: 0.627 local terms energy: -466.452223 where: bonds (distance) C4'-P energy: -143.287 bonds (distance) P-C4' energy: -121.856 flat angles C4'-P-C4' energy: -137.139 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: 1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3100.489176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.489176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.489176 (E_RNA) where: Base-Base interactions energy: -2135.264 where: short stacking energy: -953.712 Base-Backbone interact. energy: -4.541 local terms energy: -960.683640 where: bonds (distance) C4'-P energy: -179.244 bonds (distance) P-C4' energy: -180.495 flat angles C4'-P-C4' energy: -206.897 flat angles P-C4'-P energy: -131.338 tors. eta vs tors. theta energy: -262.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3051.555519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.555519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.555519 (E_RNA) where: Base-Base interactions energy: -2101.205 where: short stacking energy: -889.077 Base-Backbone interact. energy: -5.295 local terms energy: -945.055249 where: bonds (distance) C4'-P energy: -175.286 bonds (distance) P-C4' energy: -181.977 flat angles C4'-P-C4' energy: -199.206 flat angles P-C4'-P energy: -144.432 tors. eta vs tors. theta energy: -244.154 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: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2849.698128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.698128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.698128 (E_RNA) where: Base-Base interactions energy: -1920.324 where: short stacking energy: -857.344 Base-Backbone interact. energy: -1.992 local terms energy: -927.382138 where: bonds (distance) C4'-P energy: -159.423 bonds (distance) P-C4' energy: -182.645 flat angles C4'-P-C4' energy: -202.805 flat angles P-C4'-P energy: -137.370 tors. eta vs tors. theta energy: -245.139 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: 450 Temperature: 1.050000 Total energy: -2697.542437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.542437 (E_RNA) where: Base-Base interactions energy: -1835.265 where: short stacking energy: -811.742 Base-Backbone interact. energy: -4.173 local terms energy: -858.104350 where: bonds (distance) C4'-P energy: -148.813 bonds (distance) P-C4' energy: -182.785 flat angles C4'-P-C4' energy: -191.764 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -224.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2436.521170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.521170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.521170 (E_RNA) where: Base-Base interactions energy: -1657.376 where: short stacking energy: -739.752 Base-Backbone interact. energy: 1.394 local terms energy: -780.539796 where: bonds (distance) C4'-P energy: -156.391 bonds (distance) P-C4' energy: -170.252 flat angles C4'-P-C4' energy: -170.013 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -195.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2313.384591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.384591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.384591 (E_RNA) where: Base-Base interactions energy: -1522.206 where: short stacking energy: -718.686 Base-Backbone interact. energy: 2.197 local terms energy: -793.375632 where: bonds (distance) C4'-P energy: -146.712 bonds (distance) P-C4' energy: -153.163 flat angles C4'-P-C4' energy: -178.577 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -200.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2189.371370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.371370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.371370 (E_RNA) where: Base-Base interactions energy: -1458.132 where: short stacking energy: -649.069 Base-Backbone interact. energy: -2.627 local terms energy: -728.612900 where: bonds (distance) C4'-P energy: -137.933 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -173.178 flat angles P-C4'-P energy: -96.504 tors. eta vs tors. theta energy: -158.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1746.841969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.841969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.841969 (E_RNA) where: Base-Base interactions energy: -1148.302 where: short stacking energy: -506.028 Base-Backbone interact. energy: 2.557 local terms energy: -601.097308 where: bonds (distance) C4'-P energy: -111.571 bonds (distance) P-C4' energy: -161.663 flat angles C4'-P-C4' energy: -144.686 flat angles P-C4'-P energy: -100.315 tors. eta vs tors. theta energy: -82.863 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: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1249.378161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.378161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.378161 (E_RNA) where: Base-Base interactions energy: -682.368 where: short stacking energy: -395.330 Base-Backbone interact. energy: -2.782 local terms energy: -564.227843 where: bonds (distance) C4'-P energy: -154.369 bonds (distance) P-C4' energy: -139.527 flat angles C4'-P-C4' energy: -145.775 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -50.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -917.183518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.183518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.183518 (E_RNA) where: Base-Base interactions energy: -437.930 where: short stacking energy: -268.329 Base-Backbone interact. energy: 1.193 local terms energy: -480.446815 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -117.959 flat angles P-C4'-P energy: -60.719 tors. eta vs tors. theta energy: -10.657 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: 451 Temperature: 0.900000 Total energy: -3073.195892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.195892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.195892 (E_RNA) where: Base-Base interactions energy: -2099.945 where: short stacking energy: -929.605 Base-Backbone interact. energy: 5.675 local terms energy: -978.925938 where: bonds (distance) C4'-P energy: -184.392 bonds (distance) P-C4' energy: -180.522 flat angles C4'-P-C4' energy: -206.527 flat angles P-C4'-P energy: -146.007 tors. eta vs tors. theta energy: -261.478 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: 451 Temperature: 0.950000 Total energy: -3052.902692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.902692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.902692 (E_RNA) where: Base-Base interactions energy: -2105.862 where: short stacking energy: -920.412 Base-Backbone interact. energy: -7.058 local terms energy: -939.983368 where: bonds (distance) C4'-P energy: -166.623 bonds (distance) P-C4' energy: -175.140 flat angles C4'-P-C4' energy: -204.388 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -267.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2866.772571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.772571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.772571 (E_RNA) where: Base-Base interactions energy: -1943.309 where: short stacking energy: -873.255 Base-Backbone interact. energy: -1.136 local terms energy: -922.327621 where: bonds (distance) C4'-P energy: -171.177 bonds (distance) P-C4' energy: -157.397 flat angles C4'-P-C4' energy: -202.619 flat angles P-C4'-P energy: -136.028 tors. eta vs tors. theta energy: -255.107 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: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2695.402796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.402796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.402796 (E_RNA) where: Base-Base interactions energy: -1825.887 where: short stacking energy: -796.479 Base-Backbone interact. energy: -2.862 local terms energy: -866.653734 where: bonds (distance) C4'-P energy: -180.819 bonds (distance) P-C4' energy: -180.079 flat angles C4'-P-C4' energy: -183.440 flat angles P-C4'-P energy: -113.661 tors. eta vs tors. theta energy: -208.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2446.011760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.011760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.011760 (E_RNA) where: Base-Base interactions energy: -1658.821 where: short stacking energy: -737.833 Base-Backbone interact. energy: -3.493 local terms energy: -783.697559 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -165.753 flat angles C4'-P-C4' energy: -177.126 flat angles P-C4'-P energy: -104.810 tors. eta vs tors. theta energy: -185.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2279.944456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.944456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.944456 (E_RNA) where: Base-Base interactions energy: -1514.829 where: short stacking energy: -683.937 Base-Backbone interact. energy: 2.841 local terms energy: -767.955948 where: bonds (distance) C4'-P energy: -168.462 bonds (distance) P-C4' energy: -143.912 flat angles C4'-P-C4' energy: -163.575 flat angles P-C4'-P energy: -105.061 tors. eta vs tors. theta energy: -186.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2211.847635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.847635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.847635 (E_RNA) where: Base-Base interactions energy: -1500.267 where: short stacking energy: -668.267 Base-Backbone interact. energy: -0.052 local terms energy: -711.528205 where: bonds (distance) C4'-P energy: -139.518 bonds (distance) P-C4' energy: -159.315 flat angles C4'-P-C4' energy: -153.518 flat angles P-C4'-P energy: -106.697 tors. eta vs tors. theta energy: -152.480 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: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1678.843383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.843383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.843383 (E_RNA) where: Base-Base interactions energy: -1071.366 where: short stacking energy: -475.399 Base-Backbone interact. energy: 0.308 local terms energy: -607.785633 where: bonds (distance) C4'-P energy: -148.062 bonds (distance) P-C4' energy: -154.661 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -72.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1166.469892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.469892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.469892 (E_RNA) where: Base-Base interactions energy: -647.449 where: short stacking energy: -359.307 Base-Backbone interact. energy: -0.738 local terms energy: -518.282587 where: bonds (distance) C4'-P energy: -148.952 bonds (distance) P-C4' energy: -136.172 flat angles C4'-P-C4' energy: -135.996 flat angles P-C4'-P energy: -79.482 tors. eta vs tors. theta energy: -17.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -899.135543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.135543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.135543 (E_RNA) where: Base-Base interactions energy: -463.044 where: short stacking energy: -258.177 Base-Backbone interact. energy: -6.230 local terms energy: -429.861730 where: bonds (distance) C4'-P energy: -103.983 bonds (distance) P-C4' energy: -158.568 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -71.705 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: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3073.584847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.584847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.584847 (E_RNA) where: Base-Base interactions energy: -2117.220 where: short stacking energy: -927.266 Base-Backbone interact. energy: -0.210 local terms energy: -956.154213 where: bonds (distance) C4'-P energy: -179.311 bonds (distance) P-C4' energy: -158.562 flat angles C4'-P-C4' energy: -206.081 flat angles P-C4'-P energy: -136.331 tors. eta vs tors. theta energy: -275.870 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: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3064.196943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.196943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.196943 (E_RNA) where: Base-Base interactions energy: -2107.813 where: short stacking energy: -939.574 Base-Backbone interact. energy: -4.046 local terms energy: -952.338163 where: bonds (distance) C4'-P energy: -166.270 bonds (distance) P-C4' energy: -163.686 flat angles C4'-P-C4' energy: -215.602 flat angles P-C4'-P energy: -135.407 tors. eta vs tors. theta energy: -271.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2890.312021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.312021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.312021 (E_RNA) where: Base-Base interactions energy: -1991.376 where: short stacking energy: -922.945 Base-Backbone interact. energy: -0.112 local terms energy: -898.824634 where: bonds (distance) C4'-P energy: -149.076 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -197.073 flat angles P-C4'-P energy: -140.532 tors. eta vs tors. theta energy: -269.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2702.885943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.885943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.885943 (E_RNA) where: Base-Base interactions energy: -1855.817 where: short stacking energy: -836.308 Base-Backbone interact. energy: -3.174 local terms energy: -843.894825 where: bonds (distance) C4'-P energy: -140.871 bonds (distance) P-C4' energy: -179.019 flat angles C4'-P-C4' energy: -196.196 flat angles P-C4'-P energy: -98.986 tors. eta vs tors. theta energy: -228.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2409.366458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.366458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.366458 (E_RNA) where: Base-Base interactions energy: -1633.451 where: short stacking energy: -730.755 Base-Backbone interact. energy: -1.622 local terms energy: -774.293686 where: bonds (distance) C4'-P energy: -146.127 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -187.708 flat angles P-C4'-P energy: -100.712 tors. eta vs tors. theta energy: -184.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2272.428712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.428712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.428712 (E_RNA) where: Base-Base interactions energy: -1514.850 where: short stacking energy: -669.732 Base-Backbone interact. energy: -1.002 local terms energy: -756.577296 where: bonds (distance) C4'-P energy: -145.511 bonds (distance) P-C4' energy: -161.602 flat angles C4'-P-C4' energy: -161.044 flat angles P-C4'-P energy: -113.380 tors. eta vs tors. theta energy: -175.041 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: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2184.728883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.728883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.728883 (E_RNA) where: Base-Base interactions energy: -1448.108 where: short stacking energy: -622.649 Base-Backbone interact. energy: -1.904 local terms energy: -734.717674 where: bonds (distance) C4'-P energy: -156.946 bonds (distance) P-C4' energy: -166.586 flat angles C4'-P-C4' energy: -164.689 flat angles P-C4'-P energy: -98.178 tors. eta vs tors. theta energy: -148.318 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: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1729.408840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.408840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.408840 (E_RNA) where: Base-Base interactions energy: -1123.060 where: short stacking energy: -527.292 Base-Backbone interact. energy: 6.961 local terms energy: -613.309959 where: bonds (distance) C4'-P energy: -120.909 bonds (distance) P-C4' energy: -141.876 flat angles C4'-P-C4' energy: -144.262 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -101.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1203.777770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.777770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.777770 (E_RNA) where: Base-Base interactions energy: -634.432 where: short stacking energy: -317.438 Base-Backbone interact. energy: 0.231 local terms energy: -569.576485 where: bonds (distance) C4'-P energy: -154.249 bonds (distance) P-C4' energy: -168.772 flat angles C4'-P-C4' energy: -155.212 flat angles P-C4'-P energy: -76.180 tors. eta vs tors. theta energy: -15.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -855.897253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.897253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.897253 (E_RNA) where: Base-Base interactions energy: -395.464 where: short stacking energy: -239.719 Base-Backbone interact. energy: 4.409 local terms energy: -464.842110 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -128.982 flat angles P-C4'-P energy: -78.814 tors. eta vs tors. theta energy: 8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3103.132568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.132568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.132568 (E_RNA) where: Base-Base interactions energy: -2099.603 where: short stacking energy: -920.232 Base-Backbone interact. energy: -0.170 local terms energy: -1003.359379 where: bonds (distance) C4'-P energy: -191.858 bonds (distance) P-C4' energy: -184.155 flat angles C4'-P-C4' energy: -202.756 flat angles P-C4'-P energy: -150.812 tors. eta vs tors. theta energy: -273.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3035.189532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.189532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.189532 (E_RNA) where: Base-Base interactions energy: -2093.155 where: short stacking energy: -914.204 Base-Backbone interact. energy: -6.619 local terms energy: -935.415048 where: bonds (distance) C4'-P energy: -175.482 bonds (distance) P-C4' energy: -161.088 flat angles C4'-P-C4' energy: -200.598 flat angles P-C4'-P energy: -135.398 tors. eta vs tors. theta energy: -262.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2966.600761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.600761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.600761 (E_RNA) where: Base-Base interactions energy: -2018.030 where: short stacking energy: -920.850 Base-Backbone interact. energy: -0.404 local terms energy: -948.167038 where: bonds (distance) C4'-P energy: -173.366 bonds (distance) P-C4' energy: -188.409 flat angles C4'-P-C4' energy: -184.631 flat angles P-C4'-P energy: -130.145 tors. eta vs tors. theta energy: -271.617 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: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2714.721480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.721480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.721480 (E_RNA) where: Base-Base interactions energy: -1842.654 where: short stacking energy: -843.368 Base-Backbone interact. energy: 5.244 local terms energy: -877.311632 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -160.266 flat angles C4'-P-C4' energy: -200.742 flat angles P-C4'-P energy: -131.311 tors. eta vs tors. theta energy: -230.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2479.655071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.655071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.655071 (E_RNA) where: Base-Base interactions energy: -1681.842 where: short stacking energy: -759.921 Base-Backbone interact. energy: 0.589 local terms energy: -798.401324 where: bonds (distance) C4'-P energy: -150.783 bonds (distance) P-C4' energy: -172.560 flat angles C4'-P-C4' energy: -176.838 flat angles P-C4'-P energy: -111.185 tors. eta vs tors. theta energy: -187.035 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: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2348.282265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.282265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.282265 (E_RNA) where: Base-Base interactions energy: -1579.282 where: short stacking energy: -694.528 Base-Backbone interact. energy: -0.517 local terms energy: -768.483828 where: bonds (distance) C4'-P energy: -153.497 bonds (distance) P-C4' energy: -165.279 flat angles C4'-P-C4' energy: -163.992 flat angles P-C4'-P energy: -115.213 tors. eta vs tors. theta energy: -170.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2201.390953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.390953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.390953 (E_RNA) where: Base-Base interactions energy: -1464.488 where: short stacking energy: -646.964 Base-Backbone interact. energy: -2.743 local terms energy: -734.160073 where: bonds (distance) C4'-P energy: -139.941 bonds (distance) P-C4' energy: -149.168 flat angles C4'-P-C4' energy: -181.372 flat angles P-C4'-P energy: -101.999 tors. eta vs tors. theta energy: -161.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1724.800596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.800596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.800596 (E_RNA) where: Base-Base interactions energy: -1122.847 where: short stacking energy: -504.615 Base-Backbone interact. energy: -2.992 local terms energy: -598.961595 where: bonds (distance) C4'-P energy: -120.221 bonds (distance) P-C4' energy: -154.120 flat angles C4'-P-C4' energy: -150.657 flat angles P-C4'-P energy: -86.364 tors. eta vs tors. theta energy: -87.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1241.962704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.962704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.962704 (E_RNA) where: Base-Base interactions energy: -698.025 where: short stacking energy: -345.097 Base-Backbone interact. energy: -1.238 local terms energy: -542.698982 where: bonds (distance) C4'-P energy: -140.936 bonds (distance) P-C4' energy: -166.832 flat angles C4'-P-C4' energy: -118.579 flat angles P-C4'-P energy: -84.565 tors. eta vs tors. theta energy: -31.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -906.338830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.338830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.338830 (E_RNA) where: Base-Base interactions energy: -435.592 where: short stacking energy: -259.571 Base-Backbone interact. energy: -0.048 local terms energy: -470.698651 where: bonds (distance) C4'-P energy: -139.294 bonds (distance) P-C4' energy: -128.944 flat angles C4'-P-C4' energy: -135.533 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: 12.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3132.999015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.999015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.999015 (E_RNA) where: Base-Base interactions energy: -2163.587 where: short stacking energy: -936.167 Base-Backbone interact. energy: 1.012 local terms energy: -970.424499 where: bonds (distance) C4'-P energy: -182.318 bonds (distance) P-C4' energy: -192.832 flat angles C4'-P-C4' energy: -193.348 flat angles P-C4'-P energy: -133.161 tors. eta vs tors. theta energy: -268.765 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: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3009.235919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.235919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.235919 (E_RNA) where: Base-Base interactions energy: -2064.368 where: short stacking energy: -889.989 Base-Backbone interact. energy: -4.534 local terms energy: -940.333630 where: bonds (distance) C4'-P energy: -160.357 bonds (distance) P-C4' energy: -181.936 flat angles C4'-P-C4' energy: -196.173 flat angles P-C4'-P energy: -130.115 tors. eta vs tors. theta energy: -271.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2909.884019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.884019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.884019 (E_RNA) where: Base-Base interactions energy: -1974.986 where: short stacking energy: -875.965 Base-Backbone interact. energy: -2.673 local terms energy: -932.225099 where: bonds (distance) C4'-P energy: -168.551 bonds (distance) P-C4' energy: -181.071 flat angles C4'-P-C4' energy: -193.924 flat angles P-C4'-P energy: -129.437 tors. eta vs tors. theta energy: -259.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2696.366209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.366209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.366209 (E_RNA) where: Base-Base interactions energy: -1834.524 where: short stacking energy: -810.480 Base-Backbone interact. energy: -0.996 local terms energy: -860.846202 where: bonds (distance) C4'-P energy: -159.715 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -185.123 flat angles P-C4'-P energy: -130.784 tors. eta vs tors. theta energy: -218.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2521.430613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.430613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.430613 (E_RNA) where: Base-Base interactions energy: -1701.608 where: short stacking energy: -767.272 Base-Backbone interact. energy: -0.867 local terms energy: -818.955551 where: bonds (distance) C4'-P energy: -153.938 bonds (distance) P-C4' energy: -159.090 flat angles C4'-P-C4' energy: -168.987 flat angles P-C4'-P energy: -131.987 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: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2292.551424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.551424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.551424 (E_RNA) where: Base-Base interactions energy: -1563.113 where: short stacking energy: -677.945 Base-Backbone interact. energy: -3.795 local terms energy: -725.643944 where: bonds (distance) C4'-P energy: -148.356 bonds (distance) P-C4' energy: -155.055 flat angles C4'-P-C4' energy: -155.052 flat angles P-C4'-P energy: -92.431 tors. eta vs tors. theta energy: -174.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2162.103363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.103363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.103363 (E_RNA) where: Base-Base interactions energy: -1425.645 where: short stacking energy: -602.917 Base-Backbone interact. energy: -1.368 local terms energy: -735.089870 where: bonds (distance) C4'-P energy: -165.818 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -164.125 flat angles P-C4'-P energy: -101.303 tors. eta vs tors. theta energy: -154.406 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: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1710.831745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.831745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.831745 (E_RNA) where: Base-Base interactions energy: -1112.905 where: short stacking energy: -477.007 Base-Backbone interact. energy: 6.153 local terms energy: -604.079134 where: bonds (distance) C4'-P energy: -127.288 bonds (distance) P-C4' energy: -162.504 flat angles C4'-P-C4' energy: -154.652 flat angles P-C4'-P energy: -81.856 tors. eta vs tors. theta energy: -77.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1198.010068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.010068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.010068 (E_RNA) where: Base-Base interactions energy: -700.835 where: short stacking energy: -351.941 Base-Backbone interact. energy: 0.182 local terms energy: -497.356825 where: bonds (distance) C4'-P energy: -130.385 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -142.075 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -925.433961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.433961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.433961 (E_RNA) where: Base-Base interactions energy: -471.066 where: short stacking energy: -269.259 Base-Backbone interact. energy: 4.786 local terms energy: -459.154773 where: bonds (distance) C4'-P energy: -130.332 bonds (distance) P-C4' energy: -136.824 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -75.167 tors. eta vs tors. theta energy: 1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3144.040379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.040379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.040379 (E_RNA) where: Base-Base interactions energy: -2167.366 where: short stacking energy: -962.617 Base-Backbone interact. energy: -2.280 local terms energy: -974.394439 where: bonds (distance) C4'-P energy: -193.694 bonds (distance) P-C4' energy: -167.394 flat angles C4'-P-C4' energy: -203.873 flat angles P-C4'-P energy: -139.633 tors. eta vs tors. theta energy: -269.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3023.769708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.769708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.769708 (E_RNA) where: Base-Base interactions energy: -2077.618 where: short stacking energy: -908.708 Base-Backbone interact. energy: -3.395 local terms energy: -942.756490 where: bonds (distance) C4'-P energy: -178.897 bonds (distance) P-C4' energy: -167.938 flat angles C4'-P-C4' energy: -191.400 flat angles P-C4'-P energy: -131.250 tors. eta vs tors. theta energy: -273.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2929.634315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.634315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.634315 (E_RNA) where: Base-Base interactions energy: -1961.326 where: short stacking energy: -910.066 Base-Backbone interact. energy: -3.894 local terms energy: -964.414120 where: bonds (distance) C4'-P energy: -184.805 bonds (distance) P-C4' energy: -171.228 flat angles C4'-P-C4' energy: -196.674 flat angles P-C4'-P energy: -139.835 tors. eta vs tors. theta energy: -271.872 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: 455 Temperature: 1.050000 Total energy: -2702.319692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.319692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.319692 (E_RNA) where: Base-Base interactions energy: -1849.272 where: short stacking energy: -809.508 Base-Backbone interact. energy: -3.094 local terms energy: -849.953204 where: bonds (distance) C4'-P energy: -161.643 bonds (distance) P-C4' energy: -152.180 flat angles C4'-P-C4' energy: -195.171 flat angles P-C4'-P energy: -117.209 tors. eta vs tors. theta energy: -223.751 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: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2474.952087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.952087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.952087 (E_RNA) where: Base-Base interactions energy: -1649.536 where: short stacking energy: -748.493 Base-Backbone interact. energy: 0.577 local terms energy: -825.993012 where: bonds (distance) C4'-P energy: -166.149 bonds (distance) P-C4' energy: -177.974 flat angles C4'-P-C4' energy: -174.336 flat angles P-C4'-P energy: -107.517 tors. eta vs tors. theta energy: -200.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2362.250387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.250387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.250387 (E_RNA) where: Base-Base interactions energy: -1593.008 where: short stacking energy: -690.927 Base-Backbone interact. energy: -3.311 local terms energy: -765.931439 where: bonds (distance) C4'-P energy: -151.402 bonds (distance) P-C4' energy: -165.960 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -99.704 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2131.552511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.552511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.552511 (E_RNA) where: Base-Base interactions energy: -1401.809 where: short stacking energy: -606.658 Base-Backbone interact. energy: -1.186 local terms energy: -728.558041 where: bonds (distance) C4'-P energy: -152.547 bonds (distance) P-C4' energy: -158.502 flat angles C4'-P-C4' energy: -165.038 flat angles P-C4'-P energy: -105.477 tors. eta vs tors. theta energy: -146.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1711.807529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.807529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.807529 (E_RNA) where: Base-Base interactions energy: -1064.449 where: short stacking energy: -505.589 Base-Backbone interact. energy: 5.907 local terms energy: -653.265272 where: bonds (distance) C4'-P energy: -126.583 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -91.891 tors. eta vs tors. theta energy: -110.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1169.922181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.922181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.922181 (E_RNA) where: Base-Base interactions energy: -611.501 where: short stacking energy: -294.053 Base-Backbone interact. energy: 4.413 local terms energy: -562.834125 where: bonds (distance) C4'-P energy: -148.567 bonds (distance) P-C4' energy: -158.723 flat angles C4'-P-C4' energy: -146.143 flat angles P-C4'-P energy: -88.467 tors. eta vs tors. theta energy: -20.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -923.998539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.998539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.998539 (E_RNA) where: Base-Base interactions energy: -463.388 where: short stacking energy: -242.877 Base-Backbone interact. energy: 7.076 local terms energy: -467.685805 where: bonds (distance) C4'-P energy: -125.722 bonds (distance) P-C4' energy: -164.841 flat angles C4'-P-C4' energy: -132.660 flat angles P-C4'-P energy: -62.609 tors. eta vs tors. theta energy: 18.146 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: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3149.966061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.966061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.966061 (E_RNA) where: Base-Base interactions energy: -2165.118 where: short stacking energy: -939.830 Base-Backbone interact. energy: 1.026 local terms energy: -985.874245 where: bonds (distance) C4'-P energy: -174.216 bonds (distance) P-C4' energy: -191.720 flat angles C4'-P-C4' energy: -204.641 flat angles P-C4'-P energy: -148.471 tors. eta vs tors. theta energy: -266.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3021.776408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.776408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.776408 (E_RNA) where: Base-Base interactions energy: -2054.327 where: short stacking energy: -886.120 Base-Backbone interact. energy: 3.829 local terms energy: -971.277741 where: bonds (distance) C4'-P energy: -173.809 bonds (distance) P-C4' energy: -191.987 flat angles C4'-P-C4' energy: -209.169 flat angles P-C4'-P energy: -136.945 tors. eta vs tors. theta energy: -259.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2935.613237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.613237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.613237 (E_RNA) where: Base-Base interactions energy: -2015.257 where: short stacking energy: -909.774 Base-Backbone interact. energy: 4.091 local terms energy: -924.446882 where: bonds (distance) C4'-P energy: -168.461 bonds (distance) P-C4' energy: -163.880 flat angles C4'-P-C4' energy: -203.061 flat angles P-C4'-P energy: -131.768 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: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2671.575743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.575743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.575743 (E_RNA) where: Base-Base interactions energy: -1818.234 where: short stacking energy: -817.552 Base-Backbone interact. energy: -1.647 local terms energy: -851.694635 where: bonds (distance) C4'-P energy: -166.530 bonds (distance) P-C4' energy: -170.227 flat angles C4'-P-C4' energy: -178.722 flat angles P-C4'-P energy: -124.562 tors. eta vs tors. theta energy: -211.653 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: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2485.091189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.091189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.091189 (E_RNA) where: Base-Base interactions energy: -1683.820 where: short stacking energy: -745.540 Base-Backbone interact. energy: 2.968 local terms energy: -804.239629 where: bonds (distance) C4'-P energy: -169.409 bonds (distance) P-C4' energy: -135.005 flat angles C4'-P-C4' energy: -177.585 flat angles P-C4'-P energy: -123.188 tors. eta vs tors. theta energy: -199.053 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: 456 Temperature: 1.150000 Total energy: -2371.484819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.484819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.484819 (E_RNA) where: Base-Base interactions energy: -1590.798 where: short stacking energy: -727.275 Base-Backbone interact. energy: 0.390 local terms energy: -781.077178 where: bonds (distance) C4'-P energy: -147.964 bonds (distance) P-C4' energy: -165.378 flat angles C4'-P-C4' energy: -171.851 flat angles P-C4'-P energy: -112.586 tors. eta vs tors. theta energy: -183.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2152.503774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.503774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.503774 (E_RNA) where: Base-Base interactions energy: -1444.738 where: short stacking energy: -663.006 Base-Backbone interact. energy: -0.398 local terms energy: -707.367414 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -154.029 flat angles C4'-P-C4' energy: -152.239 flat angles P-C4'-P energy: -105.005 tors. eta vs tors. theta energy: -158.101 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: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1638.709070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.709070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.709070 (E_RNA) where: Base-Base interactions energy: -1040.386 where: short stacking energy: -471.361 Base-Backbone interact. energy: -0.029 local terms energy: -598.294047 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -143.799 flat angles P-C4'-P energy: -88.752 tors. eta vs tors. theta energy: -90.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1140.917407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.917407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.917407 (E_RNA) where: Base-Base interactions energy: -612.092 where: short stacking energy: -298.835 Base-Backbone interact. energy: -0.465 local terms energy: -528.360794 where: bonds (distance) C4'-P energy: -130.087 bonds (distance) P-C4' energy: -143.766 flat angles C4'-P-C4' energy: -165.720 flat angles P-C4'-P energy: -68.434 tors. eta vs tors. theta energy: -20.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -859.378669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.378669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.378669 (E_RNA) where: Base-Base interactions energy: -389.286 where: short stacking energy: -226.381 Base-Backbone interact. energy: -2.808 local terms energy: -467.285302 where: bonds (distance) C4'-P energy: -150.288 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -123.250 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: 4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3130.344203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.344203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.344203 (E_RNA) where: Base-Base interactions energy: -2194.647 where: short stacking energy: -971.976 Base-Backbone interact. energy: -2.289 local terms energy: -933.407501 where: bonds (distance) C4'-P energy: -169.960 bonds (distance) P-C4' energy: -171.801 flat angles C4'-P-C4' energy: -195.922 flat angles P-C4'-P energy: -125.005 tors. eta vs tors. theta energy: -270.719 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: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3018.587321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.587321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.587321 (E_RNA) where: Base-Base interactions energy: -2044.715 where: short stacking energy: -913.895 Base-Backbone interact. energy: 2.869 local terms energy: -976.740846 where: bonds (distance) C4'-P energy: -179.785 bonds (distance) P-C4' energy: -184.024 flat angles C4'-P-C4' energy: -200.917 flat angles P-C4'-P energy: -148.733 tors. eta vs tors. theta energy: -263.281 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: 457 Temperature: 1.000000 Total energy: -2962.090078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.090078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.090078 (E_RNA) where: Base-Base interactions energy: -2033.345 where: short stacking energy: -892.080 Base-Backbone interact. energy: 0.166 local terms energy: -928.911220 where: bonds (distance) C4'-P energy: -164.956 bonds (distance) P-C4' energy: -172.508 flat angles C4'-P-C4' energy: -188.228 flat angles P-C4'-P energy: -150.071 tors. eta vs tors. theta energy: -253.148 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: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2715.756365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.756365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.756365 (E_RNA) where: Base-Base interactions energy: -1849.882 where: short stacking energy: -801.146 Base-Backbone interact. energy: -2.602 local terms energy: -863.272084 where: bonds (distance) C4'-P energy: -170.416 bonds (distance) P-C4' energy: -163.860 flat angles C4'-P-C4' energy: -194.803 flat angles P-C4'-P energy: -119.784 tors. eta vs tors. theta energy: -214.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2456.793100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.793100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.793100 (E_RNA) where: Base-Base interactions energy: -1650.443 where: short stacking energy: -746.190 Base-Backbone interact. energy: -2.145 local terms energy: -804.204795 where: bonds (distance) C4'-P energy: -161.381 bonds (distance) P-C4' energy: -160.021 flat angles C4'-P-C4' energy: -183.445 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -193.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2226.502096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.502096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.502096 (E_RNA) where: Base-Base interactions energy: -1480.717 where: short stacking energy: -665.524 Base-Backbone interact. energy: -4.814 local terms energy: -740.971403 where: bonds (distance) C4'-P energy: -118.157 bonds (distance) P-C4' energy: -174.298 flat angles C4'-P-C4' energy: -160.249 flat angles P-C4'-P energy: -113.831 tors. eta vs tors. theta energy: -174.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2247.491201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.491201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.491201 (E_RNA) where: Base-Base interactions energy: -1522.197 where: short stacking energy: -648.002 Base-Backbone interact. energy: -3.376 local terms energy: -721.917461 where: bonds (distance) C4'-P energy: -145.826 bonds (distance) P-C4' energy: -142.011 flat angles C4'-P-C4' energy: -151.267 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -173.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1669.924410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.924410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.924410 (E_RNA) where: Base-Base interactions energy: -1065.673 where: short stacking energy: -490.470 Base-Backbone interact. energy: -0.332 local terms energy: -603.919741 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -146.991 flat angles C4'-P-C4' energy: -142.690 flat angles P-C4'-P energy: -96.642 tors. eta vs tors. theta energy: -73.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1216.678260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.678260 (E_RNA) where: Base-Base interactions energy: -675.916 where: short stacking energy: -346.492 Base-Backbone interact. energy: 1.265 local terms energy: -542.027056 where: bonds (distance) C4'-P energy: -162.503 bonds (distance) P-C4' energy: -162.241 flat angles C4'-P-C4' energy: -124.351 flat angles P-C4'-P energy: -72.048 tors. eta vs tors. theta energy: -20.885 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: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -852.857263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.857263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.857263 (E_RNA) where: Base-Base interactions energy: -404.279 where: short stacking energy: -252.891 Base-Backbone interact. energy: 0.473 local terms energy: -449.050816 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -159.566 flat angles C4'-P-C4' energy: -144.346 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: 17.319 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: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3157.747863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.747863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.747863 (E_RNA) where: Base-Base interactions energy: -2182.165 where: short stacking energy: -962.021 Base-Backbone interact. energy: -6.374 local terms energy: -969.209106 where: bonds (distance) C4'-P energy: -178.300 bonds (distance) P-C4' energy: -186.649 flat angles C4'-P-C4' energy: -208.596 flat angles P-C4'-P energy: -130.113 tors. eta vs tors. theta energy: -265.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3011.228928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.228928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.228928 (E_RNA) where: Base-Base interactions energy: -2050.580 where: short stacking energy: -937.728 Base-Backbone interact. energy: -0.874 local terms energy: -959.774500 where: bonds (distance) C4'-P energy: -178.592 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -208.099 flat angles P-C4'-P energy: -131.624 tors. eta vs tors. theta energy: -272.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2909.928731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.928731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.928731 (E_RNA) where: Base-Base interactions energy: -1999.556 where: short stacking energy: -872.632 Base-Backbone interact. energy: -5.167 local terms energy: -905.205692 where: bonds (distance) C4'-P energy: -166.650 bonds (distance) P-C4' energy: -171.155 flat angles C4'-P-C4' energy: -192.688 flat angles P-C4'-P energy: -132.519 tors. eta vs tors. theta energy: -242.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2722.832895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.832895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.832895 (E_RNA) where: Base-Base interactions energy: -1869.299 where: short stacking energy: -835.736 Base-Backbone interact. energy: -1.522 local terms energy: -852.012240 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -164.877 flat angles C4'-P-C4' energy: -189.681 flat angles P-C4'-P energy: -121.131 tors. eta vs tors. theta energy: -222.552 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: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2441.577882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.577882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.577882 (E_RNA) where: Base-Base interactions energy: -1659.586 where: short stacking energy: -781.330 Base-Backbone interact. energy: -1.740 local terms energy: -780.252126 where: bonds (distance) C4'-P energy: -140.262 bonds (distance) P-C4' energy: -169.074 flat angles C4'-P-C4' energy: -164.143 flat angles P-C4'-P energy: -109.083 tors. eta vs tors. theta energy: -197.691 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: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2246.029154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.029154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.029154 (E_RNA) where: Base-Base interactions energy: -1474.118 where: short stacking energy: -651.998 Base-Backbone interact. energy: -1.845 local terms energy: -770.065724 where: bonds (distance) C4'-P energy: -162.920 bonds (distance) P-C4' energy: -158.623 flat angles C4'-P-C4' energy: -174.886 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -171.733 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2202.792055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.792055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.792055 (E_RNA) where: Base-Base interactions energy: -1491.303 where: short stacking energy: -672.419 Base-Backbone interact. energy: 0.527 local terms energy: -712.015532 where: bonds (distance) C4'-P energy: -142.756 bonds (distance) P-C4' energy: -147.986 flat angles C4'-P-C4' energy: -174.412 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -146.462 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: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1725.838401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.838401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.838401 (E_RNA) where: Base-Base interactions energy: -1119.679 where: short stacking energy: -539.048 Base-Backbone interact. energy: 0.036 local terms energy: -606.195649 where: bonds (distance) C4'-P energy: -124.186 bonds (distance) P-C4' energy: -143.305 flat angles C4'-P-C4' energy: -144.706 flat angles P-C4'-P energy: -87.756 tors. eta vs tors. theta energy: -106.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1179.531870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.531870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.531870 (E_RNA) where: Base-Base interactions energy: -702.476 where: short stacking energy: -344.872 Base-Backbone interact. energy: -2.418 local terms energy: -474.637841 where: bonds (distance) C4'-P energy: -136.206 bonds (distance) P-C4' energy: -137.701 flat angles C4'-P-C4' energy: -99.475 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -21.627 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: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -890.045024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.045024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.045024 (E_RNA) where: Base-Base interactions energy: -407.643 where: short stacking energy: -225.114 Base-Backbone interact. energy: 2.742 local terms energy: -485.143977 where: bonds (distance) C4'-P energy: -164.988 bonds (distance) P-C4' energy: -145.431 flat angles C4'-P-C4' energy: -103.584 flat angles P-C4'-P energy: -88.091 tors. eta vs tors. theta energy: 16.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3116.406803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.406803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.406803 (E_RNA) where: Base-Base interactions energy: -2136.990 where: short stacking energy: -952.043 Base-Backbone interact. energy: -6.695 local terms energy: -972.722287 where: bonds (distance) C4'-P energy: -193.818 bonds (distance) P-C4' energy: -167.595 flat angles C4'-P-C4' energy: -202.903 flat angles P-C4'-P energy: -136.263 tors. eta vs tors. theta energy: -272.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3027.814611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.814611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.814611 (E_RNA) where: Base-Base interactions energy: -2062.125 where: short stacking energy: -920.440 Base-Backbone interact. energy: -1.078 local terms energy: -964.611463 where: bonds (distance) C4'-P energy: -171.392 bonds (distance) P-C4' energy: -175.422 flat angles C4'-P-C4' energy: -191.682 flat angles P-C4'-P energy: -143.892 tors. eta vs tors. theta energy: -282.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2929.871449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.871449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.871449 (E_RNA) where: Base-Base interactions energy: -2061.648 where: short stacking energy: -880.476 Base-Backbone interact. energy: 2.987 local terms energy: -871.210996 where: bonds (distance) C4'-P energy: -151.766 bonds (distance) P-C4' energy: -159.280 flat angles C4'-P-C4' energy: -186.639 flat angles P-C4'-P energy: -115.789 tors. eta vs tors. theta energy: -257.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2700.525099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.525099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.525099 (E_RNA) where: Base-Base interactions energy: -1859.886 where: short stacking energy: -827.092 Base-Backbone interact. energy: -2.669 local terms energy: -837.969359 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -157.558 flat angles C4'-P-C4' energy: -187.820 flat angles P-C4'-P energy: -127.912 tors. eta vs tors. theta energy: -215.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2510.768105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.768105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.768105 (E_RNA) where: Base-Base interactions energy: -1693.065 where: short stacking energy: -761.602 Base-Backbone interact. energy: -1.478 local terms energy: -816.224347 where: bonds (distance) C4'-P energy: -141.500 bonds (distance) P-C4' energy: -161.104 flat angles C4'-P-C4' energy: -183.890 flat angles P-C4'-P energy: -120.951 tors. eta vs tors. theta energy: -208.779 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: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2288.385149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.385149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.385149 (E_RNA) where: Base-Base interactions energy: -1518.738 where: short stacking energy: -698.805 Base-Backbone interact. energy: 2.564 local terms energy: -772.211641 where: bonds (distance) C4'-P energy: -151.338 bonds (distance) P-C4' energy: -174.559 flat angles C4'-P-C4' energy: -169.821 flat angles P-C4'-P energy: -95.102 tors. eta vs tors. theta energy: -181.392 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: 459 Temperature: 1.200000 Total energy: -2217.135372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.135372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.135372 (E_RNA) where: Base-Base interactions energy: -1485.925 where: short stacking energy: -632.724 Base-Backbone interact. energy: -0.731 local terms energy: -730.478850 where: bonds (distance) C4'-P energy: -146.755 bonds (distance) P-C4' energy: -136.004 flat angles C4'-P-C4' energy: -172.092 flat angles P-C4'-P energy: -117.973 tors. eta vs tors. theta energy: -157.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1718.873965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.873965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.873965 (E_RNA) where: Base-Base interactions energy: -1081.148 where: short stacking energy: -502.259 Base-Backbone interact. energy: -4.065 local terms energy: -633.661425 where: bonds (distance) C4'-P energy: -146.644 bonds (distance) P-C4' energy: -148.376 flat angles C4'-P-C4' energy: -163.571 flat angles P-C4'-P energy: -93.318 tors. eta vs tors. theta energy: -81.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1090.239246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.239246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.239246 (E_RNA) where: Base-Base interactions energy: -565.544 where: short stacking energy: -308.080 Base-Backbone interact. energy: 3.553 local terms energy: -528.247816 where: bonds (distance) C4'-P energy: -140.098 bonds (distance) P-C4' energy: -144.809 flat angles C4'-P-C4' energy: -128.030 flat angles P-C4'-P energy: -98.312 tors. eta vs tors. theta energy: -16.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -877.659432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.659432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.659432 (E_RNA) where: Base-Base interactions energy: -407.315 where: short stacking energy: -237.411 Base-Backbone interact. energy: 0.825 local terms energy: -471.168970 where: bonds (distance) C4'-P energy: -144.776 bonds (distance) P-C4' energy: -160.849 flat angles C4'-P-C4' energy: -122.626 flat angles P-C4'-P energy: -66.132 tors. eta vs tors. theta energy: 23.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3127.228301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.228301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.228301 (E_RNA) where: Base-Base interactions energy: -2165.422 where: short stacking energy: -927.125 Base-Backbone interact. energy: -1.497 local terms energy: -960.309539 where: bonds (distance) C4'-P energy: -178.603 bonds (distance) P-C4' energy: -169.872 flat angles C4'-P-C4' energy: -199.427 flat angles P-C4'-P energy: -137.461 tors. eta vs tors. theta energy: -274.946 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: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3029.620752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.620752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.620752 (E_RNA) where: Base-Base interactions energy: -2071.376 where: short stacking energy: -942.864 Base-Backbone interact. energy: -3.206 local terms energy: -955.038794 where: bonds (distance) C4'-P energy: -176.174 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -215.716 flat angles P-C4'-P energy: -137.281 tors. eta vs tors. theta energy: -268.156 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: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2907.533285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.533285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.533285 (E_RNA) where: Base-Base interactions energy: -2006.699 where: short stacking energy: -870.403 Base-Backbone interact. energy: -1.859 local terms energy: -898.975540 where: bonds (distance) C4'-P energy: -155.355 bonds (distance) P-C4' energy: -174.356 flat angles C4'-P-C4' energy: -187.426 flat angles P-C4'-P energy: -132.011 tors. eta vs tors. theta energy: -249.828 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: 460 Temperature: 1.050000 Total energy: -2676.596637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.596637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.596637 (E_RNA) where: Base-Base interactions energy: -1835.637 where: short stacking energy: -809.754 Base-Backbone interact. energy: -3.335 local terms energy: -837.624172 where: bonds (distance) C4'-P energy: -150.250 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -186.151 flat angles P-C4'-P energy: -121.516 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: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2435.859756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.859756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.859756 (E_RNA) where: Base-Base interactions energy: -1616.610 where: short stacking energy: -744.377 Base-Backbone interact. energy: -2.268 local terms energy: -816.981747 where: bonds (distance) C4'-P energy: -164.712 bonds (distance) P-C4' energy: -161.522 flat angles C4'-P-C4' energy: -182.697 flat angles P-C4'-P energy: -109.195 tors. eta vs tors. theta energy: -198.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2287.358720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.358720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.358720 (E_RNA) where: Base-Base interactions energy: -1515.922 where: short stacking energy: -673.834 Base-Backbone interact. energy: -4.686 local terms energy: -766.749789 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -144.561 flat angles C4'-P-C4' energy: -186.571 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -164.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2224.321207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.321207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.321207 (E_RNA) where: Base-Base interactions energy: -1510.335 where: short stacking energy: -649.562 Base-Backbone interact. energy: -2.331 local terms energy: -711.655446 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -159.475 flat angles C4'-P-C4' energy: -172.142 flat angles P-C4'-P energy: -97.301 tors. eta vs tors. theta energy: -137.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1647.866400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.866400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.866400 (E_RNA) where: Base-Base interactions energy: -1044.575 where: short stacking energy: -489.943 Base-Backbone interact. energy: 1.971 local terms energy: -605.262157 where: bonds (distance) C4'-P energy: -125.796 bonds (distance) P-C4' energy: -158.002 flat angles C4'-P-C4' energy: -160.617 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -82.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1107.528337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.528337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.528337 (E_RNA) where: Base-Base interactions energy: -569.011 where: short stacking energy: -291.395 Base-Backbone interact. energy: 2.070 local terms energy: -540.586762 where: bonds (distance) C4'-P energy: -150.276 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -138.939 flat angles P-C4'-P energy: -85.062 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -857.334529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.334529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.334529 (E_RNA) where: Base-Base interactions energy: -415.332 where: short stacking energy: -268.129 Base-Backbone interact. energy: 7.443 local terms energy: -449.445419 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -134.844 flat angles C4'-P-C4' energy: -111.965 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: 10.885 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: 461 Temperature: 0.900000 Total energy: -3119.753927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.753927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.753927 (E_RNA) where: Base-Base interactions energy: -2161.835 where: short stacking energy: -925.934 Base-Backbone interact. energy: -7.437 local terms energy: -950.481882 where: bonds (distance) C4'-P energy: -163.535 bonds (distance) P-C4' energy: -178.948 flat angles C4'-P-C4' energy: -205.869 flat angles P-C4'-P energy: -131.435 tors. eta vs tors. theta energy: -270.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3028.010202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.010202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.010202 (E_RNA) where: Base-Base interactions energy: -2051.273 where: short stacking energy: -926.024 Base-Backbone interact. energy: 3.128 local terms energy: -979.865358 where: bonds (distance) C4'-P energy: -184.378 bonds (distance) P-C4' energy: -168.567 flat angles C4'-P-C4' energy: -211.601 flat angles P-C4'-P energy: -133.929 tors. eta vs tors. theta energy: -281.391 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: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2913.223393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.223393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.223393 (E_RNA) where: Base-Base interactions energy: -2021.992 where: short stacking energy: -867.192 Base-Backbone interact. energy: 0.895 local terms energy: -892.126771 where: bonds (distance) C4'-P energy: -171.811 bonds (distance) P-C4' energy: -162.764 flat angles C4'-P-C4' energy: -185.604 flat angles P-C4'-P energy: -119.130 tors. eta vs tors. theta energy: -252.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2677.961359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.961359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.961359 (E_RNA) where: Base-Base interactions energy: -1845.279 where: short stacking energy: -841.741 Base-Backbone interact. energy: -0.531 local terms energy: -832.151892 where: bonds (distance) C4'-P energy: -138.977 bonds (distance) P-C4' energy: -174.908 flat angles C4'-P-C4' energy: -169.107 flat angles P-C4'-P energy: -132.782 tors. eta vs tors. theta energy: -216.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2419.863098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.863098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.863098 (E_RNA) where: Base-Base interactions energy: -1612.452 where: short stacking energy: -740.132 Base-Backbone interact. energy: -3.697 local terms energy: -803.713602 where: bonds (distance) C4'-P energy: -138.494 bonds (distance) P-C4' energy: -143.202 flat angles C4'-P-C4' energy: -183.583 flat angles P-C4'-P energy: -125.545 tors. eta vs tors. theta energy: -212.889 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: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2264.590680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.590680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.590680 (E_RNA) where: Base-Base interactions energy: -1491.746 where: short stacking energy: -679.179 Base-Backbone interact. energy: -2.369 local terms energy: -770.475026 where: bonds (distance) C4'-P energy: -155.312 bonds (distance) P-C4' energy: -153.827 flat angles C4'-P-C4' energy: -170.010 flat angles P-C4'-P energy: -121.134 tors. eta vs tors. theta energy: -170.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2190.774789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.774789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.774789 (E_RNA) where: Base-Base interactions energy: -1450.058 where: short stacking energy: -632.861 Base-Backbone interact. energy: -3.598 local terms energy: -737.118755 where: bonds (distance) C4'-P energy: -149.384 bonds (distance) P-C4' energy: -160.296 flat angles C4'-P-C4' energy: -174.273 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -152.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1673.442330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.442330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.442330 (E_RNA) where: Base-Base interactions energy: -1061.841 where: short stacking energy: -473.639 Base-Backbone interact. energy: 8.984 local terms energy: -620.585383 where: bonds (distance) C4'-P energy: -142.479 bonds (distance) P-C4' energy: -133.561 flat angles C4'-P-C4' energy: -145.437 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -100.595 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: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1088.088060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.088060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.088060 (E_RNA) where: Base-Base interactions energy: -579.549 where: short stacking energy: -296.074 Base-Backbone interact. energy: 0.876 local terms energy: -509.415133 where: bonds (distance) C4'-P energy: -157.209 bonds (distance) P-C4' energy: -146.291 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -829.516848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.516848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.516848 (E_RNA) where: Base-Base interactions energy: -352.698 where: short stacking energy: -236.747 Base-Backbone interact. energy: -4.077 local terms energy: -472.741124 where: bonds (distance) C4'-P energy: -152.178 bonds (distance) P-C4' energy: -136.877 flat angles C4'-P-C4' energy: -127.275 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: 17.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3151.010977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.010977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.010977 (E_RNA) where: Base-Base interactions energy: -2176.733 where: short stacking energy: -934.074 Base-Backbone interact. energy: -1.276 local terms energy: -973.002751 where: bonds (distance) C4'-P energy: -189.062 bonds (distance) P-C4' energy: -186.549 flat angles C4'-P-C4' energy: -196.888 flat angles P-C4'-P energy: -141.643 tors. eta vs tors. theta energy: -258.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3036.423660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.423660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.423660 (E_RNA) where: Base-Base interactions energy: -2111.706 where: short stacking energy: -938.774 Base-Backbone interact. energy: -0.453 local terms energy: -924.264770 where: bonds (distance) C4'-P energy: -161.079 bonds (distance) P-C4' energy: -158.932 flat angles C4'-P-C4' energy: -195.449 flat angles P-C4'-P energy: -141.404 tors. eta vs tors. theta energy: -267.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2921.141469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.141469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.141469 (E_RNA) where: Base-Base interactions energy: -2007.964 where: short stacking energy: -848.605 Base-Backbone interact. energy: -2.310 local terms energy: -910.867102 where: bonds (distance) C4'-P energy: -174.397 bonds (distance) P-C4' energy: -173.190 flat angles C4'-P-C4' energy: -190.506 flat angles P-C4'-P energy: -128.842 tors. eta vs tors. theta energy: -243.933 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: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2648.967482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.967482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.967482 (E_RNA) where: Base-Base interactions energy: -1806.719 where: short stacking energy: -771.617 Base-Backbone interact. energy: -1.836 local terms energy: -840.412396 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -165.113 flat angles C4'-P-C4' energy: -188.100 flat angles P-C4'-P energy: -123.999 tors. eta vs tors. theta energy: -211.642 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: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2490.036315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.036315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.036315 (E_RNA) where: Base-Base interactions energy: -1684.002 where: short stacking energy: -754.481 Base-Backbone interact. energy: 4.779 local terms energy: -810.812992 where: bonds (distance) C4'-P energy: -160.542 bonds (distance) P-C4' energy: -153.118 flat angles C4'-P-C4' energy: -189.292 flat angles P-C4'-P energy: -109.979 tors. eta vs tors. theta energy: -197.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2220.827295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.827295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.827295 (E_RNA) where: Base-Base interactions energy: -1467.601 where: short stacking energy: -638.775 Base-Backbone interact. energy: -0.093 local terms energy: -753.134067 where: bonds (distance) C4'-P energy: -157.786 bonds (distance) P-C4' energy: -157.984 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -120.959 tors. eta vs tors. theta energy: -148.699 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: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2148.766007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.766007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.766007 (E_RNA) where: Base-Base interactions energy: -1425.606 where: short stacking energy: -643.552 Base-Backbone interact. energy: 4.869 local terms energy: -728.029253 where: bonds (distance) C4'-P energy: -151.253 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -166.593 flat angles P-C4'-P energy: -101.408 tors. eta vs tors. theta energy: -151.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1655.678202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.678202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.678202 (E_RNA) where: Base-Base interactions energy: -1054.083 where: short stacking energy: -477.514 Base-Backbone interact. energy: 3.187 local terms energy: -604.781748 where: bonds (distance) C4'-P energy: -138.629 bonds (distance) P-C4' energy: -146.731 flat angles C4'-P-C4' energy: -170.747 flat angles P-C4'-P energy: -86.585 tors. eta vs tors. theta energy: -62.089 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: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1116.304203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.304203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.304203 (E_RNA) where: Base-Base interactions energy: -597.187 where: short stacking energy: -314.249 Base-Backbone interact. energy: 4.603 local terms energy: -523.720326 where: bonds (distance) C4'-P energy: -131.857 bonds (distance) P-C4' energy: -160.517 flat angles C4'-P-C4' energy: -122.080 flat angles P-C4'-P energy: -86.667 tors. eta vs tors. theta energy: -22.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -822.120406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.120406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.120406 (E_RNA) where: Base-Base interactions energy: -355.451 where: short stacking energy: -245.967 Base-Backbone interact. energy: -0.990 local terms energy: -465.678715 where: bonds (distance) C4'-P energy: -129.614 bonds (distance) P-C4' energy: -152.055 flat angles C4'-P-C4' energy: -122.170 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: 6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3158.350470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.350470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.350470 (E_RNA) where: Base-Base interactions energy: -2190.448 where: short stacking energy: -937.661 Base-Backbone interact. energy: 6.943 local terms energy: -974.845896 where: bonds (distance) C4'-P energy: -175.049 bonds (distance) P-C4' energy: -184.820 flat angles C4'-P-C4' energy: -206.118 flat angles P-C4'-P energy: -146.218 tors. eta vs tors. theta energy: -262.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3018.340087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.340087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.340087 (E_RNA) where: Base-Base interactions energy: -2062.305 where: short stacking energy: -959.764 Base-Backbone interact. energy: 1.627 local terms energy: -957.662165 where: bonds (distance) C4'-P energy: -177.086 bonds (distance) P-C4' energy: -177.473 flat angles C4'-P-C4' energy: -205.171 flat angles P-C4'-P energy: -136.176 tors. eta vs tors. theta energy: -261.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2969.347665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.347665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.347665 (E_RNA) where: Base-Base interactions energy: -2085.848 where: short stacking energy: -897.470 Base-Backbone interact. energy: -4.962 local terms energy: -878.538242 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -164.092 flat angles C4'-P-C4' energy: -192.702 flat angles P-C4'-P energy: -127.102 tors. eta vs tors. theta energy: -249.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2695.185565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.185565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.185565 (E_RNA) where: Base-Base interactions energy: -1834.769 where: short stacking energy: -808.018 Base-Backbone interact. energy: -2.659 local terms energy: -857.757045 where: bonds (distance) C4'-P energy: -169.531 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -190.130 flat angles P-C4'-P energy: -114.470 tors. eta vs tors. theta energy: -223.394 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: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2522.771291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.771291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.771291 (E_RNA) where: Base-Base interactions energy: -1692.119 where: short stacking energy: -757.098 Base-Backbone interact. energy: 1.463 local terms energy: -832.115870 where: bonds (distance) C4'-P energy: -160.112 bonds (distance) P-C4' energy: -167.269 flat angles C4'-P-C4' energy: -180.051 flat angles P-C4'-P energy: -111.989 tors. eta vs tors. theta energy: -212.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2252.591743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.591743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.591743 (E_RNA) where: Base-Base interactions energy: -1466.992 where: short stacking energy: -669.222 Base-Backbone interact. energy: 2.995 local terms energy: -788.594383 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -185.003 flat angles C4'-P-C4' energy: -182.051 flat angles P-C4'-P energy: -122.267 tors. eta vs tors. theta energy: -167.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2148.681651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.681651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.681651 (E_RNA) where: Base-Base interactions energy: -1424.883 where: short stacking energy: -670.707 Base-Backbone interact. energy: -0.001 local terms energy: -723.797849 where: bonds (distance) C4'-P energy: -144.691 bonds (distance) P-C4' energy: -139.843 flat angles C4'-P-C4' energy: -180.175 flat angles P-C4'-P energy: -95.593 tors. eta vs tors. theta energy: -163.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1631.166889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.166889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.166889 (E_RNA) where: Base-Base interactions energy: -1028.167 where: short stacking energy: -465.408 Base-Backbone interact. energy: 0.802 local terms energy: -603.802366 where: bonds (distance) C4'-P energy: -147.578 bonds (distance) P-C4' energy: -152.603 flat angles C4'-P-C4' energy: -139.964 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -86.160 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: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1117.919498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.919498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.919498 (E_RNA) where: Base-Base interactions energy: -607.932 where: short stacking energy: -336.250 Base-Backbone interact. energy: -1.036 local terms energy: -508.950837 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -144.505 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -77.148 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -817.073717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.073717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.073717 (E_RNA) where: Base-Base interactions energy: -370.645 where: short stacking energy: -239.972 Base-Backbone interact. energy: -3.665 local terms energy: -442.764083 where: bonds (distance) C4'-P energy: -144.480 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -137.898 flat angles P-C4'-P energy: -76.647 tors. eta vs tors. theta energy: 34.996 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: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3172.791929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.791929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.791929 (E_RNA) where: Base-Base interactions energy: -2191.217 where: short stacking energy: -984.617 Base-Backbone interact. energy: 4.651 local terms energy: -986.225847 where: bonds (distance) C4'-P energy: -168.282 bonds (distance) P-C4' energy: -181.890 flat angles C4'-P-C4' energy: -214.510 flat angles P-C4'-P energy: -142.587 tors. eta vs tors. theta energy: -278.956 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: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3010.074939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.074939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.074939 (E_RNA) where: Base-Base interactions energy: -2049.308 where: short stacking energy: -935.595 Base-Backbone interact. energy: 0.701 local terms energy: -961.467307 where: bonds (distance) C4'-P energy: -167.896 bonds (distance) P-C4' energy: -195.324 flat angles C4'-P-C4' energy: -196.970 flat angles P-C4'-P energy: -125.879 tors. eta vs tors. theta energy: -275.398 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: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2975.188727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.188727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.188727 (E_RNA) where: Base-Base interactions energy: -2084.856 where: short stacking energy: -939.829 Base-Backbone interact. energy: -2.626 local terms energy: -887.707176 where: bonds (distance) C4'-P energy: -147.291 bonds (distance) P-C4' energy: -181.036 flat angles C4'-P-C4' energy: -186.129 flat angles P-C4'-P energy: -116.946 tors. eta vs tors. theta energy: -256.305 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2688.270717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.270717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.270717 (E_RNA) where: Base-Base interactions energy: -1824.569 where: short stacking energy: -795.765 Base-Backbone interact. energy: -2.442 local terms energy: -861.260119 where: bonds (distance) C4'-P energy: -169.258 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -194.094 flat angles P-C4'-P energy: -111.598 tors. eta vs tors. theta energy: -219.430 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: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2472.394811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.394811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.394811 (E_RNA) where: Base-Base interactions energy: -1672.620 where: short stacking energy: -756.937 Base-Backbone interact. energy: 0.650 local terms energy: -800.425003 where: bonds (distance) C4'-P energy: -157.303 bonds (distance) P-C4' energy: -154.496 flat angles C4'-P-C4' energy: -174.117 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -208.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2227.091864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.091864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.091864 (E_RNA) where: Base-Base interactions energy: -1462.456 where: short stacking energy: -670.846 Base-Backbone interact. energy: -3.190 local terms energy: -761.445683 where: bonds (distance) C4'-P energy: -139.507 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -190.549 flat angles P-C4'-P energy: -96.338 tors. eta vs tors. theta energy: -168.023 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: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2179.120695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.120695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.120695 (E_RNA) where: Base-Base interactions energy: -1463.221 where: short stacking energy: -646.181 Base-Backbone interact. energy: -4.099 local terms energy: -711.801207 where: bonds (distance) C4'-P energy: -149.007 bonds (distance) P-C4' energy: -139.145 flat angles C4'-P-C4' energy: -155.204 flat angles P-C4'-P energy: -111.450 tors. eta vs tors. theta energy: -156.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1656.962637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.962637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.962637 (E_RNA) where: Base-Base interactions energy: -996.210 where: short stacking energy: -440.451 Base-Backbone interact. energy: -3.611 local terms energy: -657.141497 where: bonds (distance) C4'-P energy: -152.502 bonds (distance) P-C4' energy: -154.202 flat angles C4'-P-C4' energy: -169.632 flat angles P-C4'-P energy: -108.260 tors. eta vs tors. theta energy: -72.545 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1114.892308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.892308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.892308 (E_RNA) where: Base-Base interactions energy: -589.296 where: short stacking energy: -333.506 Base-Backbone interact. energy: 2.515 local terms energy: -528.111526 where: bonds (distance) C4'-P energy: -156.727 bonds (distance) P-C4' energy: -138.706 flat angles C4'-P-C4' energy: -128.569 flat angles P-C4'-P energy: -77.259 tors. eta vs tors. theta energy: -26.851 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: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -831.428385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.428385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.428385 (E_RNA) where: Base-Base interactions energy: -358.610 where: short stacking energy: -224.942 Base-Backbone interact. energy: -2.166 local terms energy: -470.651804 where: bonds (distance) C4'-P energy: -151.149 bonds (distance) P-C4' energy: -139.915 flat angles C4'-P-C4' energy: -103.747 flat angles P-C4'-P energy: -82.707 tors. eta vs tors. theta energy: 6.867 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: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3145.316399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.316399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.316399 (E_RNA) where: Base-Base interactions energy: -2153.194 where: short stacking energy: -928.770 Base-Backbone interact. energy: -1.752 local terms energy: -990.370347 where: bonds (distance) C4'-P energy: -190.286 bonds (distance) P-C4' energy: -167.430 flat angles C4'-P-C4' energy: -209.124 flat angles P-C4'-P energy: -146.857 tors. eta vs tors. theta energy: -276.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3007.896299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.896299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.896299 (E_RNA) where: Base-Base interactions energy: -2053.058 where: short stacking energy: -946.774 Base-Backbone interact. energy: -1.843 local terms energy: -952.995121 where: bonds (distance) C4'-P energy: -182.187 bonds (distance) P-C4' energy: -179.675 flat angles C4'-P-C4' energy: -198.188 flat angles P-C4'-P energy: -127.540 tors. eta vs tors. theta energy: -265.405 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: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2943.665952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.665952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.665952 (E_RNA) where: Base-Base interactions energy: -2020.322 where: short stacking energy: -880.517 Base-Backbone interact. energy: -1.911 local terms energy: -921.433523 where: bonds (distance) C4'-P energy: -180.645 bonds (distance) P-C4' energy: -168.914 flat angles C4'-P-C4' energy: -187.471 flat angles P-C4'-P energy: -121.570 tors. eta vs tors. theta energy: -262.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2748.601721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.601721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.601721 (E_RNA) where: Base-Base interactions energy: -1886.356 where: short stacking energy: -831.670 Base-Backbone interact. energy: 3.505 local terms energy: -865.751153 where: bonds (distance) C4'-P energy: -159.115 bonds (distance) P-C4' energy: -172.944 flat angles C4'-P-C4' energy: -188.052 flat angles P-C4'-P energy: -119.387 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: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2471.281839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.281839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.281839 (E_RNA) where: Base-Base interactions energy: -1678.852 where: short stacking energy: -764.007 Base-Backbone interact. energy: -2.373 local terms energy: -790.056769 where: bonds (distance) C4'-P energy: -154.780 bonds (distance) P-C4' energy: -145.114 flat angles C4'-P-C4' energy: -194.146 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -186.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2302.337754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.337754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.337754 (E_RNA) where: Base-Base interactions energy: -1560.119 where: short stacking energy: -696.735 Base-Backbone interact. energy: -2.603 local terms energy: -739.615669 where: bonds (distance) C4'-P energy: -143.897 bonds (distance) P-C4' energy: -155.820 flat angles C4'-P-C4' energy: -162.807 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: -186.278 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: 465 Temperature: 1.200000 Total energy: -2231.023767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.023767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.023767 (E_RNA) where: Base-Base interactions energy: -1496.236 where: short stacking energy: -646.212 Base-Backbone interact. energy: -1.820 local terms energy: -732.968055 where: bonds (distance) C4'-P energy: -132.089 bonds (distance) P-C4' energy: -158.242 flat angles C4'-P-C4' energy: -172.798 flat angles P-C4'-P energy: -99.827 tors. eta vs tors. theta energy: -170.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1607.292300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.292300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.292300 (E_RNA) where: Base-Base interactions energy: -1011.892 where: short stacking energy: -453.756 Base-Backbone interact. energy: -2.755 local terms energy: -592.644837 where: bonds (distance) C4'-P energy: -140.986 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -156.594 flat angles P-C4'-P energy: -79.716 tors. eta vs tors. theta energy: -68.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1140.958001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.958001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.958001 (E_RNA) where: Base-Base interactions energy: -617.125 where: short stacking energy: -356.631 Base-Backbone interact. energy: -2.433 local terms energy: -521.400163 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -143.985 flat angles C4'-P-C4' energy: -156.954 flat angles P-C4'-P energy: -80.338 tors. eta vs tors. theta energy: -32.497 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: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -862.088851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.088851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.088851 (E_RNA) where: Base-Base interactions energy: -390.936 where: short stacking energy: -265.189 Base-Backbone interact. energy: -2.410 local terms energy: -468.742864 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -128.220 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -75.466 tors. eta vs tors. theta energy: 14.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3141.771233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.771233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.771233 (E_RNA) where: Base-Base interactions energy: -2150.927 where: short stacking energy: -947.250 Base-Backbone interact. energy: -1.994 local terms energy: -988.850068 where: bonds (distance) C4'-P energy: -184.958 bonds (distance) P-C4' energy: -178.027 flat angles C4'-P-C4' energy: -216.598 flat angles P-C4'-P energy: -142.017 tors. eta vs tors. theta energy: -267.250 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: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2994.387384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.387384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.387384 (E_RNA) where: Base-Base interactions energy: -2041.361 where: short stacking energy: -921.228 Base-Backbone interact. energy: -1.248 local terms energy: -951.778118 where: bonds (distance) C4'-P energy: -183.306 bonds (distance) P-C4' energy: -176.222 flat angles C4'-P-C4' energy: -189.495 flat angles P-C4'-P energy: -130.117 tors. eta vs tors. theta energy: -272.638 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: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2921.692564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.692564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.692564 (E_RNA) where: Base-Base interactions energy: -2035.791 where: short stacking energy: -885.440 Base-Backbone interact. energy: -2.419 local terms energy: -883.482218 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -167.430 flat angles C4'-P-C4' energy: -198.738 flat angles P-C4'-P energy: -127.665 tors. eta vs tors. theta energy: -254.484 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: 466 Temperature: 1.050000 Total energy: -2714.445668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.445668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.445668 (E_RNA) where: Base-Base interactions energy: -1848.178 where: short stacking energy: -823.574 Base-Backbone interact. energy: -2.064 local terms energy: -864.203901 where: bonds (distance) C4'-P energy: -156.990 bonds (distance) P-C4' energy: -166.492 flat angles C4'-P-C4' energy: -183.117 flat angles P-C4'-P energy: -133.621 tors. eta vs tors. theta energy: -223.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2426.716806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.716806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.716806 (E_RNA) where: Base-Base interactions energy: -1627.244 where: short stacking energy: -704.302 Base-Backbone interact. energy: -4.581 local terms energy: -794.891554 where: bonds (distance) C4'-P energy: -163.373 bonds (distance) P-C4' energy: -136.426 flat angles C4'-P-C4' energy: -190.973 flat angles P-C4'-P energy: -117.409 tors. eta vs tors. theta energy: -186.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2287.925358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.925358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.925358 (E_RNA) where: Base-Base interactions energy: -1532.023 where: short stacking energy: -648.944 Base-Backbone interact. energy: 2.541 local terms energy: -758.443704 where: bonds (distance) C4'-P energy: -149.960 bonds (distance) P-C4' energy: -161.560 flat angles C4'-P-C4' energy: -174.144 flat angles P-C4'-P energy: -113.455 tors. eta vs tors. theta energy: -159.324 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: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2188.860914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.860914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.860914 (E_RNA) where: Base-Base interactions energy: -1444.407 where: short stacking energy: -624.250 Base-Backbone interact. energy: -5.561 local terms energy: -738.893542 where: bonds (distance) C4'-P energy: -158.381 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -157.025 flat angles P-C4'-P energy: -107.956 tors. eta vs tors. theta energy: -156.580 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: 10 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1629.172422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.172422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.172422 (E_RNA) where: Base-Base interactions energy: -1021.519 where: short stacking energy: -452.369 Base-Backbone interact. energy: 3.406 local terms energy: -611.059568 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -160.617 flat angles C4'-P-C4' energy: -143.051 flat angles P-C4'-P energy: -86.083 tors. eta vs tors. theta energy: -79.141 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: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1124.616246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.616246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.616246 (E_RNA) where: Base-Base interactions energy: -614.093 where: short stacking energy: -343.575 Base-Backbone interact. energy: 5.135 local terms energy: -515.658493 where: bonds (distance) C4'-P energy: -142.647 bonds (distance) P-C4' energy: -129.961 flat angles C4'-P-C4' energy: -130.787 flat angles P-C4'-P energy: -85.917 tors. eta vs tors. theta energy: -26.346 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: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -803.631516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.631516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.631516 (E_RNA) where: Base-Base interactions energy: -347.940 where: short stacking energy: -237.539 Base-Backbone interact. energy: 0.383 local terms energy: -456.074588 where: bonds (distance) C4'-P energy: -159.965 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: 26.253 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: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3139.395007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.395007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.395007 (E_RNA) where: Base-Base interactions energy: -2140.285 where: short stacking energy: -930.880 Base-Backbone interact. energy: -7.561 local terms energy: -991.548827 where: bonds (distance) C4'-P energy: -193.315 bonds (distance) P-C4' energy: -195.317 flat angles C4'-P-C4' energy: -199.433 flat angles P-C4'-P energy: -128.190 tors. eta vs tors. theta energy: -275.294 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: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2995.248505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.248505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.248505 (E_RNA) where: Base-Base interactions energy: -2050.350 where: short stacking energy: -934.602 Base-Backbone interact. energy: -1.961 local terms energy: -942.937741 where: bonds (distance) C4'-P energy: -171.091 bonds (distance) P-C4' energy: -158.127 flat angles C4'-P-C4' energy: -197.610 flat angles P-C4'-P energy: -145.411 tors. eta vs tors. theta energy: -270.699 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: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2937.414964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.414964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.414964 (E_RNA) where: Base-Base interactions energy: -2030.359 where: short stacking energy: -861.083 Base-Backbone interact. energy: -0.343 local terms energy: -906.712742 where: bonds (distance) C4'-P energy: -164.414 bonds (distance) P-C4' energy: -175.045 flat angles C4'-P-C4' energy: -193.781 flat angles P-C4'-P energy: -126.157 tors. eta vs tors. theta energy: -247.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2717.098594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.098594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.098594 (E_RNA) where: Base-Base interactions energy: -1834.730 where: short stacking energy: -802.130 Base-Backbone interact. energy: 1.045 local terms energy: -883.413269 where: bonds (distance) C4'-P energy: -175.214 bonds (distance) P-C4' energy: -173.495 flat angles C4'-P-C4' energy: -180.877 flat angles P-C4'-P energy: -132.327 tors. eta vs tors. theta energy: -221.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2496.882968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.882968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.882968 (E_RNA) where: Base-Base interactions energy: -1672.541 where: short stacking energy: -764.681 Base-Backbone interact. energy: -3.441 local terms energy: -820.900823 where: bonds (distance) C4'-P energy: -134.870 bonds (distance) P-C4' energy: -165.032 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -124.794 tors. eta vs tors. theta energy: -213.616 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: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2284.317752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.317752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.317752 (E_RNA) where: Base-Base interactions energy: -1511.334 where: short stacking energy: -679.879 Base-Backbone interact. energy: -2.642 local terms energy: -770.341928 where: bonds (distance) C4'-P energy: -152.542 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -176.388 flat angles P-C4'-P energy: -119.594 tors. eta vs tors. theta energy: -172.521 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: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2158.963382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.963382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.963382 (E_RNA) where: Base-Base interactions energy: -1441.539 where: short stacking energy: -671.760 Base-Backbone interact. energy: -1.810 local terms energy: -715.614231 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -148.199 flat angles C4'-P-C4' energy: -170.106 flat angles P-C4'-P energy: -106.464 tors. eta vs tors. theta energy: -150.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1680.093417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.093417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.093417 (E_RNA) where: Base-Base interactions energy: -1060.856 where: short stacking energy: -494.368 Base-Backbone interact. energy: 0.279 local terms energy: -619.515455 where: bonds (distance) C4'-P energy: -129.613 bonds (distance) P-C4' energy: -152.090 flat angles C4'-P-C4' energy: -146.738 flat angles P-C4'-P energy: -74.893 tors. eta vs tors. theta energy: -116.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1080.459270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.459270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.459270 (E_RNA) where: Base-Base interactions energy: -546.705 where: short stacking energy: -297.569 Base-Backbone interact. energy: 6.378 local terms energy: -540.131901 where: bonds (distance) C4'-P energy: -154.381 bonds (distance) P-C4' energy: -165.999 flat angles C4'-P-C4' energy: -121.618 flat angles P-C4'-P energy: -81.370 tors. eta vs tors. theta energy: -16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -833.488790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.488790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.488790 (E_RNA) where: Base-Base interactions energy: -360.287 where: short stacking energy: -255.034 Base-Backbone interact. energy: -0.647 local terms energy: -472.555069 where: bonds (distance) C4'-P energy: -139.135 bonds (distance) P-C4' energy: -132.834 flat angles C4'-P-C4' energy: -120.743 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: 3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3149.750607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.750607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.750607 (E_RNA) where: Base-Base interactions energy: -2168.591 where: short stacking energy: -950.980 Base-Backbone interact. energy: -3.472 local terms energy: -977.687871 where: bonds (distance) C4'-P energy: -182.117 bonds (distance) P-C4' energy: -184.129 flat angles C4'-P-C4' energy: -209.544 flat angles P-C4'-P energy: -135.752 tors. eta vs tors. theta energy: -266.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3040.242821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.242821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.242821 (E_RNA) where: Base-Base interactions energy: -2096.836 where: short stacking energy: -963.615 Base-Backbone interact. energy: -1.090 local terms energy: -942.317725 where: bonds (distance) C4'-P energy: -158.008 bonds (distance) P-C4' energy: -173.815 flat angles C4'-P-C4' energy: -202.601 flat angles P-C4'-P energy: -130.044 tors. eta vs tors. theta energy: -277.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2902.445299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.445299 (E_RNA) where: Base-Base interactions energy: -1999.932 where: short stacking energy: -876.593 Base-Backbone interact. energy: -1.226 local terms energy: -901.287289 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -170.395 flat angles C4'-P-C4' energy: -206.693 flat angles P-C4'-P energy: -128.089 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: 468 Temperature: 1.050000 Total energy: -2663.529208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.529208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.529208 (E_RNA) where: Base-Base interactions energy: -1823.376 where: short stacking energy: -804.904 Base-Backbone interact. energy: -2.204 local terms energy: -837.949421 where: bonds (distance) C4'-P energy: -137.061 bonds (distance) P-C4' energy: -173.943 flat angles C4'-P-C4' energy: -179.093 flat angles P-C4'-P energy: -138.845 tors. eta vs tors. theta energy: -209.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2454.429176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.429176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.429176 (E_RNA) where: Base-Base interactions energy: -1644.948 where: short stacking energy: -728.360 Base-Backbone interact. energy: -2.381 local terms energy: -807.100422 where: bonds (distance) C4'-P energy: -163.303 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -177.922 flat angles P-C4'-P energy: -126.475 tors. eta vs tors. theta energy: -201.097 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: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2233.271946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.271946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.271946 (E_RNA) where: Base-Base interactions energy: -1459.525 where: short stacking energy: -648.840 Base-Backbone interact. energy: -2.594 local terms energy: -771.152830 where: bonds (distance) C4'-P energy: -156.840 bonds (distance) P-C4' energy: -164.874 flat angles C4'-P-C4' energy: -173.002 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -175.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2169.571709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.571709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.571709 (E_RNA) where: Base-Base interactions energy: -1484.760 where: short stacking energy: -660.311 Base-Backbone interact. energy: -1.778 local terms energy: -683.033381 where: bonds (distance) C4'-P energy: -139.309 bonds (distance) P-C4' energy: -160.896 flat angles C4'-P-C4' energy: -148.289 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -129.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1599.545709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.545709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.545709 (E_RNA) where: Base-Base interactions energy: -987.138 where: short stacking energy: -439.080 Base-Backbone interact. energy: 2.788 local terms energy: -615.195729 where: bonds (distance) C4'-P energy: -144.588 bonds (distance) P-C4' energy: -163.602 flat angles C4'-P-C4' energy: -145.715 flat angles P-C4'-P energy: -92.130 tors. eta vs tors. theta energy: -69.160 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: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1139.978460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.978460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.978460 (E_RNA) where: Base-Base interactions energy: -611.827 where: short stacking energy: -332.911 Base-Backbone interact. energy: -2.620 local terms energy: -525.531415 where: bonds (distance) C4'-P energy: -150.241 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -84.615 tors. eta vs tors. theta energy: -28.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -860.735655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.735655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.735655 (E_RNA) where: Base-Base interactions energy: -397.984 where: short stacking energy: -251.532 Base-Backbone interact. energy: 1.252 local terms energy: -464.004501 where: bonds (distance) C4'-P energy: -139.398 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -116.437 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: 19.846 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: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3138.025979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.025979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.025979 (E_RNA) where: Base-Base interactions energy: -2182.144 where: short stacking energy: -946.651 Base-Backbone interact. energy: -0.060 local terms energy: -955.822082 where: bonds (distance) C4'-P energy: -164.960 bonds (distance) P-C4' energy: -180.353 flat angles C4'-P-C4' energy: -204.504 flat angles P-C4'-P energy: -137.146 tors. eta vs tors. theta energy: -268.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3031.143651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.143651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.143651 (E_RNA) where: Base-Base interactions energy: -2099.418 where: short stacking energy: -951.265 Base-Backbone interact. energy: -2.989 local terms energy: -928.736500 where: bonds (distance) C4'-P energy: -169.743 bonds (distance) P-C4' energy: -152.789 flat angles C4'-P-C4' energy: -203.497 flat angles P-C4'-P energy: -126.923 tors. eta vs tors. theta energy: -275.784 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: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2915.891579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.891579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.891579 (E_RNA) where: Base-Base interactions energy: -2026.013 where: short stacking energy: -900.213 Base-Backbone interact. energy: -2.632 local terms energy: -887.246888 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -164.908 flat angles C4'-P-C4' energy: -197.416 flat angles P-C4'-P energy: -133.468 tors. eta vs tors. theta energy: -242.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2684.089799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.089799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.089799 (E_RNA) where: Base-Base interactions energy: -1824.912 where: short stacking energy: -821.662 Base-Backbone interact. energy: -5.393 local terms energy: -853.784297 where: bonds (distance) C4'-P energy: -145.987 bonds (distance) P-C4' energy: -183.641 flat angles C4'-P-C4' energy: -169.035 flat angles P-C4'-P energy: -125.628 tors. eta vs tors. theta energy: -229.494 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: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2475.227920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.227920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.227920 (E_RNA) where: Base-Base interactions energy: -1658.937 where: short stacking energy: -727.079 Base-Backbone interact. energy: 0.978 local terms energy: -817.268459 where: bonds (distance) C4'-P energy: -157.715 bonds (distance) P-C4' energy: -172.708 flat angles C4'-P-C4' energy: -169.405 flat angles P-C4'-P energy: -122.674 tors. eta vs tors. theta energy: -194.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2312.140821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.140821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.140821 (E_RNA) where: Base-Base interactions energy: -1555.774 where: short stacking energy: -693.064 Base-Backbone interact. energy: 0.406 local terms energy: -756.772774 where: bonds (distance) C4'-P energy: -137.130 bonds (distance) P-C4' energy: -150.066 flat angles C4'-P-C4' energy: -165.105 flat angles P-C4'-P energy: -113.755 tors. eta vs tors. theta energy: -190.717 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: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2199.529473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.529473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.529473 (E_RNA) where: Base-Base interactions energy: -1475.242 where: short stacking energy: -642.167 Base-Backbone interact. energy: -3.361 local terms energy: -720.927028 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -158.856 flat angles C4'-P-C4' energy: -154.829 flat angles P-C4'-P energy: -90.288 tors. eta vs tors. theta energy: -187.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1660.310097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.310097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.310097 (E_RNA) where: Base-Base interactions energy: -1037.636 where: short stacking energy: -488.303 Base-Backbone interact. energy: -1.040 local terms energy: -621.634160 where: bonds (distance) C4'-P energy: -141.644 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -138.217 flat angles P-C4'-P energy: -89.747 tors. eta vs tors. theta energy: -91.454 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: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1060.845588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.845588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.845588 (E_RNA) where: Base-Base interactions energy: -556.053 where: short stacking energy: -306.597 Base-Backbone interact. energy: 5.704 local terms energy: -510.496418 where: bonds (distance) C4'-P energy: -140.233 bonds (distance) P-C4' energy: -145.096 flat angles C4'-P-C4' energy: -138.371 flat angles P-C4'-P energy: -70.849 tors. eta vs tors. theta energy: -15.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -896.826179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.826179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.826179 (E_RNA) where: Base-Base interactions energy: -425.373 where: short stacking energy: -272.586 Base-Backbone interact. energy: -0.255 local terms energy: -471.197995 where: bonds (distance) C4'-P energy: -127.646 bonds (distance) P-C4' energy: -131.600 flat angles C4'-P-C4' energy: -126.778 flat angles P-C4'-P energy: -92.924 tors. eta vs tors. theta energy: 7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3142.320609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.320609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.320609 (E_RNA) where: Base-Base interactions energy: -2178.541 where: short stacking energy: -917.412 Base-Backbone interact. energy: -2.538 local terms energy: -961.241334 where: bonds (distance) C4'-P energy: -178.889 bonds (distance) P-C4' energy: -182.300 flat angles C4'-P-C4' energy: -205.948 flat angles P-C4'-P energy: -138.075 tors. eta vs tors. theta energy: -256.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3002.470064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.470064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.470064 (E_RNA) where: Base-Base interactions energy: -2074.637 where: short stacking energy: -926.728 Base-Backbone interact. energy: -0.801 local terms energy: -927.032893 where: bonds (distance) C4'-P energy: -166.696 bonds (distance) P-C4' energy: -164.812 flat angles C4'-P-C4' energy: -204.711 flat angles P-C4'-P energy: -131.656 tors. eta vs tors. theta energy: -259.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2989.538587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.538587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.538587 (E_RNA) where: Base-Base interactions energy: -2058.725 where: short stacking energy: -904.558 Base-Backbone interact. energy: 0.243 local terms energy: -931.056890 where: bonds (distance) C4'-P energy: -172.577 bonds (distance) P-C4' energy: -172.249 flat angles C4'-P-C4' energy: -185.447 flat angles P-C4'-P energy: -135.457 tors. eta vs tors. theta energy: -265.327 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: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2678.625710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.625710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.625710 (E_RNA) where: Base-Base interactions energy: -1819.594 where: short stacking energy: -833.784 Base-Backbone interact. energy: -2.815 local terms energy: -856.216840 where: bonds (distance) C4'-P energy: -160.692 bonds (distance) P-C4' energy: -163.153 flat angles C4'-P-C4' energy: -182.006 flat angles P-C4'-P energy: -120.088 tors. eta vs tors. theta energy: -230.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2531.408392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.408392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.408392 (E_RNA) where: Base-Base interactions energy: -1702.781 where: short stacking energy: -758.858 Base-Backbone interact. energy: -6.303 local terms energy: -822.324849 where: bonds (distance) C4'-P energy: -139.563 bonds (distance) P-C4' energy: -162.308 flat angles C4'-P-C4' energy: -186.568 flat angles P-C4'-P energy: -128.287 tors. eta vs tors. theta energy: -205.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2261.782946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.782946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.782946 (E_RNA) where: Base-Base interactions energy: -1489.024 where: short stacking energy: -695.110 Base-Backbone interact. energy: -0.883 local terms energy: -771.876457 where: bonds (distance) C4'-P energy: -145.120 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -188.336 flat angles P-C4'-P energy: -115.374 tors. eta vs tors. theta energy: -179.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2204.855268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.855268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.855268 (E_RNA) where: Base-Base interactions energy: -1501.472 where: short stacking energy: -656.387 Base-Backbone interact. energy: -0.509 local terms energy: -702.874193 where: bonds (distance) C4'-P energy: -142.404 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -150.747 flat angles P-C4'-P energy: -97.038 tors. eta vs tors. theta energy: -168.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1717.689930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.689930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.689930 (E_RNA) where: Base-Base interactions energy: -1111.499 where: short stacking energy: -501.642 Base-Backbone interact. energy: -0.717 local terms energy: -605.474240 where: bonds (distance) C4'-P energy: -132.253 bonds (distance) P-C4' energy: -152.726 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -80.002 tors. eta vs tors. theta energy: -80.160 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: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1101.133309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.133309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.133309 (E_RNA) where: Base-Base interactions energy: -592.838 where: short stacking energy: -313.053 Base-Backbone interact. energy: 1.612 local terms energy: -509.906982 where: bonds (distance) C4'-P energy: -158.082 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -117.466 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -828.891187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.891187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.891187 (E_RNA) where: Base-Base interactions energy: -407.485 where: short stacking energy: -258.880 Base-Backbone interact. energy: 2.706 local terms energy: -424.112406 where: bonds (distance) C4'-P energy: -118.794 bonds (distance) P-C4' energy: -142.568 flat angles C4'-P-C4' energy: -119.228 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: 14.276 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: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3137.063174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.063174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.063174 (E_RNA) where: Base-Base interactions energy: -2169.762 where: short stacking energy: -917.722 Base-Backbone interact. energy: -2.603 local terms energy: -964.698283 where: bonds (distance) C4'-P energy: -165.732 bonds (distance) P-C4' energy: -187.274 flat angles C4'-P-C4' energy: -208.883 flat angles P-C4'-P energy: -138.717 tors. eta vs tors. theta energy: -264.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3053.097066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.097066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.097066 (E_RNA) where: Base-Base interactions energy: -2065.319 where: short stacking energy: -915.147 Base-Backbone interact. energy: -3.152 local terms energy: -984.626643 where: bonds (distance) C4'-P energy: -175.969 bonds (distance) P-C4' energy: -185.894 flat angles C4'-P-C4' energy: -201.883 flat angles P-C4'-P energy: -137.277 tors. eta vs tors. theta energy: -283.603 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: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2947.445994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.445994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.445994 (E_RNA) where: Base-Base interactions energy: -2026.451 where: short stacking energy: -906.025 Base-Backbone interact. energy: -0.063 local terms energy: -920.931379 where: bonds (distance) C4'-P energy: -162.351 bonds (distance) P-C4' energy: -166.205 flat angles C4'-P-C4' energy: -196.020 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -272.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2740.938080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.938080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.938080 (E_RNA) where: Base-Base interactions energy: -1875.470 where: short stacking energy: -835.147 Base-Backbone interact. energy: 3.554 local terms energy: -869.022890 where: bonds (distance) C4'-P energy: -160.895 bonds (distance) P-C4' energy: -167.149 flat angles C4'-P-C4' energy: -185.216 flat angles P-C4'-P energy: -116.149 tors. eta vs tors. theta energy: -239.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2429.336797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.336797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.336797 (E_RNA) where: Base-Base interactions energy: -1635.292 where: short stacking energy: -693.548 Base-Backbone interact. energy: 3.998 local terms energy: -798.042907 where: bonds (distance) C4'-P energy: -158.125 bonds (distance) P-C4' energy: -161.523 flat angles C4'-P-C4' energy: -194.410 flat angles P-C4'-P energy: -103.105 tors. eta vs tors. theta energy: -180.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2292.233751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.233751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.233751 (E_RNA) where: Base-Base interactions energy: -1517.951 where: short stacking energy: -707.491 Base-Backbone interact. energy: -3.028 local terms energy: -771.254476 where: bonds (distance) C4'-P energy: -151.224 bonds (distance) P-C4' energy: -159.611 flat angles C4'-P-C4' energy: -172.555 flat angles P-C4'-P energy: -109.793 tors. eta vs tors. theta energy: -178.073 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2164.197481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.197481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.197481 (E_RNA) where: Base-Base interactions energy: -1440.718 where: short stacking energy: -688.083 Base-Backbone interact. energy: -2.165 local terms energy: -721.315379 where: bonds (distance) C4'-P energy: -138.460 bonds (distance) P-C4' energy: -146.129 flat angles C4'-P-C4' energy: -172.277 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -174.949 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: 10 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1779.860304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.860304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.860304 (E_RNA) where: Base-Base interactions energy: -1153.163 where: short stacking energy: -521.113 Base-Backbone interact. energy: 6.029 local terms energy: -632.726412 where: bonds (distance) C4'-P energy: -152.338 bonds (distance) P-C4' energy: -143.891 flat angles C4'-P-C4' energy: -128.489 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -101.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1110.932811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.932811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.932811 (E_RNA) where: Base-Base interactions energy: -610.416 where: short stacking energy: -307.314 Base-Backbone interact. energy: 1.406 local terms energy: -501.922310 where: bonds (distance) C4'-P energy: -120.298 bonds (distance) P-C4' energy: -143.642 flat angles C4'-P-C4' energy: -149.077 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -24.142 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: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -850.142687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.142687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.142687 (E_RNA) where: Base-Base interactions energy: -383.783 where: short stacking energy: -241.926 Base-Backbone interact. energy: -3.091 local terms energy: -463.268842 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -151.603 flat angles C4'-P-C4' energy: -136.610 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: 14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3077.550655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.550655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.550655 (E_RNA) where: Base-Base interactions energy: -2117.850 where: short stacking energy: -955.225 Base-Backbone interact. energy: -3.600 local terms energy: -956.100905 where: bonds (distance) C4'-P energy: -181.156 bonds (distance) P-C4' energy: -170.234 flat angles C4'-P-C4' energy: -202.968 flat angles P-C4'-P energy: -133.647 tors. eta vs tors. theta energy: -268.096 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: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3081.995611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.995611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.995611 (E_RNA) where: Base-Base interactions energy: -2115.827 where: short stacking energy: -922.607 Base-Backbone interact. energy: -2.524 local terms energy: -963.644429 where: bonds (distance) C4'-P energy: -177.495 bonds (distance) P-C4' energy: -181.770 flat angles C4'-P-C4' energy: -195.605 flat angles P-C4'-P energy: -138.594 tors. eta vs tors. theta energy: -270.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2940.579160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.579160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.579160 (E_RNA) where: Base-Base interactions energy: -2033.776 where: short stacking energy: -897.715 Base-Backbone interact. energy: 5.585 local terms energy: -912.387729 where: bonds (distance) C4'-P energy: -153.490 bonds (distance) P-C4' energy: -170.852 flat angles C4'-P-C4' energy: -197.559 flat angles P-C4'-P energy: -132.800 tors. eta vs tors. theta energy: -257.687 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: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2707.833960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.833960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.833960 (E_RNA) where: Base-Base interactions energy: -1883.859 where: short stacking energy: -832.161 Base-Backbone interact. energy: -0.601 local terms energy: -823.374010 where: bonds (distance) C4'-P energy: -152.379 bonds (distance) P-C4' energy: -150.571 flat angles C4'-P-C4' energy: -180.284 flat angles P-C4'-P energy: -118.681 tors. eta vs tors. theta energy: -221.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2447.327864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.327864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.327864 (E_RNA) where: Base-Base interactions energy: -1679.608 where: short stacking energy: -752.537 Base-Backbone interact. energy: -1.591 local terms energy: -766.128429 where: bonds (distance) C4'-P energy: -138.931 bonds (distance) P-C4' energy: -154.175 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -114.802 tors. eta vs tors. theta energy: -194.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2385.291846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.291846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.291846 (E_RNA) where: Base-Base interactions energy: -1624.215 where: short stacking energy: -716.057 Base-Backbone interact. energy: 0.545 local terms energy: -761.621228 where: bonds (distance) C4'-P energy: -161.617 bonds (distance) P-C4' energy: -133.481 flat angles C4'-P-C4' energy: -166.047 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -188.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2155.268259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.268259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.268259 (E_RNA) where: Base-Base interactions energy: -1438.514 where: short stacking energy: -608.532 Base-Backbone interact. energy: 1.043 local terms energy: -717.797532 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -149.894 flat angles P-C4'-P energy: -103.338 tors. eta vs tors. theta energy: -153.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1788.240657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.240657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.240657 (E_RNA) where: Base-Base interactions energy: -1126.719 where: short stacking energy: -538.152 Base-Backbone interact. energy: -0.378 local terms energy: -661.144225 where: bonds (distance) C4'-P energy: -154.655 bonds (distance) P-C4' energy: -133.391 flat angles C4'-P-C4' energy: -161.844 flat angles P-C4'-P energy: -107.761 tors. eta vs tors. theta energy: -103.493 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: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1084.834591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.834591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.834591 (E_RNA) where: Base-Base interactions energy: -594.335 where: short stacking energy: -323.037 Base-Backbone interact. energy: 2.570 local terms energy: -493.069000 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -150.354 flat angles C4'-P-C4' energy: -103.440 flat angles P-C4'-P energy: -70.935 tors. eta vs tors. theta energy: -19.729 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: 472 Temperature: 1.350000 Total energy: -876.575485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.575485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.575485 (E_RNA) where: Base-Base interactions energy: -446.831 where: short stacking energy: -255.025 Base-Backbone interact. energy: 6.743 local terms energy: -436.487369 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -157.481 flat angles C4'-P-C4' energy: -113.458 flat angles P-C4'-P energy: -66.503 tors. eta vs tors. theta energy: 16.277 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: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3061.219494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.219494 (E_RNA) where: Base-Base interactions energy: -2115.468 where: short stacking energy: -949.531 Base-Backbone interact. energy: -2.987 local terms energy: -942.765216 where: bonds (distance) C4'-P energy: -179.624 bonds (distance) P-C4' energy: -172.574 flat angles C4'-P-C4' energy: -191.306 flat angles P-C4'-P energy: -121.692 tors. eta vs tors. theta energy: -277.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3065.686923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.686923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.686923 (E_RNA) where: Base-Base interactions energy: -2141.456 where: short stacking energy: -933.340 Base-Backbone interact. energy: -1.183 local terms energy: -923.048312 where: bonds (distance) C4'-P energy: -161.107 bonds (distance) P-C4' energy: -179.074 flat angles C4'-P-C4' energy: -195.169 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -264.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -3009.170544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.170544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.170544 (E_RNA) where: Base-Base interactions energy: -2042.173 where: short stacking energy: -904.033 Base-Backbone interact. energy: -3.584 local terms energy: -963.413683 where: bonds (distance) C4'-P energy: -175.956 bonds (distance) P-C4' energy: -184.071 flat angles C4'-P-C4' energy: -198.404 flat angles P-C4'-P energy: -126.571 tors. eta vs tors. theta energy: -278.412 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: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2735.733701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.733701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.733701 (E_RNA) where: Base-Base interactions energy: -1883.451 where: short stacking energy: -838.182 Base-Backbone interact. energy: -1.377 local terms energy: -850.905465 where: bonds (distance) C4'-P energy: -141.146 bonds (distance) P-C4' energy: -165.140 flat angles C4'-P-C4' energy: -197.262 flat angles P-C4'-P energy: -124.404 tors. eta vs tors. theta energy: -222.952 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: 473 Temperature: 1.100000 Total energy: -2395.115763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.115763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.115763 (E_RNA) where: Base-Base interactions energy: -1622.710 where: short stacking energy: -753.355 Base-Backbone interact. energy: 1.408 local terms energy: -773.814087 where: bonds (distance) C4'-P energy: -168.212 bonds (distance) P-C4' energy: -137.638 flat angles C4'-P-C4' energy: -182.501 flat angles P-C4'-P energy: -98.197 tors. eta vs tors. theta energy: -187.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2347.635835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.635835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.635835 (E_RNA) where: Base-Base interactions energy: -1597.915 where: short stacking energy: -685.496 Base-Backbone interact. energy: -3.532 local terms energy: -746.189202 where: bonds (distance) C4'-P energy: -172.392 bonds (distance) P-C4' energy: -157.661 flat angles C4'-P-C4' energy: -163.230 flat angles P-C4'-P energy: -89.868 tors. eta vs tors. theta energy: -163.039 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: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2164.889510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.889510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.889510 (E_RNA) where: Base-Base interactions energy: -1460.599 where: short stacking energy: -618.306 Base-Backbone interact. energy: -0.572 local terms energy: -703.718302 where: bonds (distance) C4'-P energy: -147.582 bonds (distance) P-C4' energy: -139.848 flat angles C4'-P-C4' energy: -171.293 flat angles P-C4'-P energy: -110.501 tors. eta vs tors. theta energy: -134.495 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: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1789.507391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.507391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.507391 (E_RNA) where: Base-Base interactions energy: -1133.305 where: short stacking energy: -530.887 Base-Backbone interact. energy: -1.347 local terms energy: -654.855022 where: bonds (distance) C4'-P energy: -146.582 bonds (distance) P-C4' energy: -142.243 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -111.994 tors. eta vs tors. theta energy: -102.338 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: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1125.813380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.813380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.813380 (E_RNA) where: Base-Base interactions energy: -589.546 where: short stacking energy: -328.357 Base-Backbone interact. energy: -0.841 local terms energy: -535.426836 where: bonds (distance) C4'-P energy: -135.612 bonds (distance) P-C4' energy: -147.788 flat angles C4'-P-C4' energy: -142.661 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -33.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -897.906939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.906939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.906939 (E_RNA) where: Base-Base interactions energy: -434.303 where: short stacking energy: -236.535 Base-Backbone interact. energy: 1.681 local terms energy: -465.284667 where: bonds (distance) C4'-P energy: -172.120 bonds (distance) P-C4' energy: -143.617 flat angles C4'-P-C4' energy: -108.910 flat angles P-C4'-P energy: -62.309 tors. eta vs tors. theta energy: 21.672 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: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3116.501751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.501751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.501751 (E_RNA) where: Base-Base interactions energy: -2140.849 where: short stacking energy: -966.845 Base-Backbone interact. energy: -1.236 local terms energy: -974.416414 where: bonds (distance) C4'-P energy: -172.271 bonds (distance) P-C4' energy: -186.708 flat angles C4'-P-C4' energy: -197.062 flat angles P-C4'-P energy: -143.928 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: 474 Temperature: 0.950000 Total energy: -3077.876454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.876454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.876454 (E_RNA) where: Base-Base interactions energy: -2106.879 where: short stacking energy: -951.997 Base-Backbone interact. energy: -4.018 local terms energy: -966.979721 where: bonds (distance) C4'-P energy: -161.823 bonds (distance) P-C4' energy: -181.984 flat angles C4'-P-C4' energy: -205.208 flat angles P-C4'-P energy: -142.608 tors. eta vs tors. theta energy: -275.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2977.946881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.946881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.946881 (E_RNA) where: Base-Base interactions energy: -2023.361 where: short stacking energy: -884.879 Base-Backbone interact. energy: 3.828 local terms energy: -958.414013 where: bonds (distance) C4'-P energy: -179.713 bonds (distance) P-C4' energy: -186.100 flat angles C4'-P-C4' energy: -193.643 flat angles P-C4'-P energy: -139.315 tors. eta vs tors. theta energy: -259.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2727.879488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.879488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.879488 (E_RNA) where: Base-Base interactions energy: -1853.740 where: short stacking energy: -808.167 Base-Backbone interact. energy: -2.945 local terms energy: -871.195080 where: bonds (distance) C4'-P energy: -158.284 bonds (distance) P-C4' energy: -174.823 flat angles C4'-P-C4' energy: -203.556 flat angles P-C4'-P energy: -119.328 tors. eta vs tors. theta energy: -215.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2430.246688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.246688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.246688 (E_RNA) where: Base-Base interactions energy: -1629.949 where: short stacking energy: -739.719 Base-Backbone interact. energy: 0.791 local terms energy: -801.088665 where: bonds (distance) C4'-P energy: -132.821 bonds (distance) P-C4' energy: -175.099 flat angles C4'-P-C4' energy: -172.730 flat angles P-C4'-P energy: -127.991 tors. eta vs tors. theta energy: -192.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2372.048468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.048468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.048468 (E_RNA) where: Base-Base interactions energy: -1567.166 where: short stacking energy: -715.243 Base-Backbone interact. energy: 1.002 local terms energy: -805.884799 where: bonds (distance) C4'-P energy: -137.722 bonds (distance) P-C4' energy: -175.274 flat angles C4'-P-C4' energy: -181.836 flat angles P-C4'-P energy: -118.379 tors. eta vs tors. theta energy: -192.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2188.776798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.776798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.776798 (E_RNA) where: Base-Base interactions energy: -1475.025 where: short stacking energy: -637.963 Base-Backbone interact. energy: -3.317 local terms energy: -710.434245 where: bonds (distance) C4'-P energy: -153.920 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -162.901 flat angles P-C4'-P energy: -102.376 tors. eta vs tors. theta energy: -144.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1808.184159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.184159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.184159 (E_RNA) where: Base-Base interactions energy: -1157.929 where: short stacking energy: -557.274 Base-Backbone interact. energy: 1.217 local terms energy: -651.472603 where: bonds (distance) C4'-P energy: -133.131 bonds (distance) P-C4' energy: -160.540 flat angles C4'-P-C4' energy: -142.984 flat angles P-C4'-P energy: -87.297 tors. eta vs tors. theta energy: -127.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1166.119719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.119719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.119719 (E_RNA) where: Base-Base interactions energy: -653.270 where: short stacking energy: -315.116 Base-Backbone interact. energy: -1.678 local terms energy: -511.171215 where: bonds (distance) C4'-P energy: -113.584 bonds (distance) P-C4' energy: -138.062 flat angles C4'-P-C4' energy: -137.289 flat angles P-C4'-P energy: -98.254 tors. eta vs tors. theta energy: -23.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -966.844775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.844775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.844775 (E_RNA) where: Base-Base interactions energy: -487.567 where: short stacking energy: -283.639 Base-Backbone interact. energy: 4.433 local terms energy: -483.711374 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -144.146 flat angles P-C4'-P energy: -70.396 tors. eta vs tors. theta energy: 7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3099.296850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.296850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.296850 (E_RNA) where: Base-Base interactions energy: -2096.058 where: short stacking energy: -955.534 Base-Backbone interact. energy: -4.165 local terms energy: -999.073509 where: bonds (distance) C4'-P energy: -187.970 bonds (distance) P-C4' energy: -192.169 flat angles C4'-P-C4' energy: -203.452 flat angles P-C4'-P energy: -133.930 tors. eta vs tors. theta energy: -281.553 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: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3075.353694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.353694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.353694 (E_RNA) where: Base-Base interactions energy: -2114.276 where: short stacking energy: -919.138 Base-Backbone interact. energy: -1.174 local terms energy: -959.903315 where: bonds (distance) C4'-P energy: -185.136 bonds (distance) P-C4' energy: -178.052 flat angles C4'-P-C4' energy: -204.406 flat angles P-C4'-P energy: -139.735 tors. eta vs tors. theta energy: -252.574 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: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2953.827840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.827840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.827840 (E_RNA) where: Base-Base interactions energy: -2027.555 where: short stacking energy: -922.634 Base-Backbone interact. energy: -0.990 local terms energy: -925.283449 where: bonds (distance) C4'-P energy: -156.669 bonds (distance) P-C4' energy: -163.955 flat angles C4'-P-C4' energy: -195.104 flat angles P-C4'-P energy: -141.029 tors. eta vs tors. theta energy: -268.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2727.535464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.535464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.535464 (E_RNA) where: Base-Base interactions energy: -1874.516 where: short stacking energy: -833.120 Base-Backbone interact. energy: 1.654 local terms energy: -854.673460 where: bonds (distance) C4'-P energy: -158.764 bonds (distance) P-C4' energy: -179.764 flat angles C4'-P-C4' energy: -195.912 flat angles P-C4'-P energy: -98.872 tors. eta vs tors. theta energy: -221.362 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: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2508.952502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.952502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.952502 (E_RNA) where: Base-Base interactions energy: -1708.208 where: short stacking energy: -752.556 Base-Backbone interact. energy: 1.680 local terms energy: -802.424883 where: bonds (distance) C4'-P energy: -153.558 bonds (distance) P-C4' energy: -172.714 flat angles C4'-P-C4' energy: -159.854 flat angles P-C4'-P energy: -131.524 tors. eta vs tors. theta energy: -184.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2243.745129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.745129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.745129 (E_RNA) where: Base-Base interactions energy: -1497.224 where: short stacking energy: -646.784 Base-Backbone interact. energy: -1.814 local terms energy: -744.706824 where: bonds (distance) C4'-P energy: -157.408 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -174.005 flat angles P-C4'-P energy: -106.858 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: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2110.591614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.591614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.591614 (E_RNA) where: Base-Base interactions energy: -1379.311 where: short stacking energy: -586.973 Base-Backbone interact. energy: -0.680 local terms energy: -730.600830 where: bonds (distance) C4'-P energy: -159.114 bonds (distance) P-C4' energy: -160.690 flat angles C4'-P-C4' energy: -155.327 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -151.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1746.899783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.899783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.899783 (E_RNA) where: Base-Base interactions energy: -1088.919 where: short stacking energy: -493.317 Base-Backbone interact. energy: -4.760 local terms energy: -653.220317 where: bonds (distance) C4'-P energy: -140.200 bonds (distance) P-C4' energy: -149.595 flat angles C4'-P-C4' energy: -164.893 flat angles P-C4'-P energy: -93.334 tors. eta vs tors. theta energy: -105.197 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: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1142.401207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.401207 (E_RNA) where: Base-Base interactions energy: -635.638 where: short stacking energy: -334.137 Base-Backbone interact. energy: -1.343 local terms energy: -505.419584 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -150.152 flat angles C4'-P-C4' energy: -140.792 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -18.256 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: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -961.908390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.908390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.908390 (E_RNA) where: Base-Base interactions energy: -465.722 where: short stacking energy: -268.015 Base-Backbone interact. energy: -0.562 local terms energy: -495.624579 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -170.188 flat angles C4'-P-C4' energy: -124.695 flat angles P-C4'-P energy: -88.241 tors. eta vs tors. theta energy: 7.827 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: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3091.179888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.179888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.179888 (E_RNA) where: Base-Base interactions energy: -2092.995 where: short stacking energy: -949.669 Base-Backbone interact. energy: -2.224 local terms energy: -995.960427 where: bonds (distance) C4'-P energy: -178.703 bonds (distance) P-C4' energy: -194.555 flat angles C4'-P-C4' energy: -211.044 flat angles P-C4'-P energy: -128.440 tors. eta vs tors. theta energy: -283.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3061.149850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.149850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.149850 (E_RNA) where: Base-Base interactions energy: -2120.673 where: short stacking energy: -924.899 Base-Backbone interact. energy: 0.197 local terms energy: -940.674286 where: bonds (distance) C4'-P energy: -181.256 bonds (distance) P-C4' energy: -185.385 flat angles C4'-P-C4' energy: -188.338 flat angles P-C4'-P energy: -129.272 tors. eta vs tors. theta energy: -256.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2958.861058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.861058 (E_RNA) where: Base-Base interactions energy: -2028.055 where: short stacking energy: -875.258 Base-Backbone interact. energy: 4.611 local terms energy: -935.417272 where: bonds (distance) C4'-P energy: -179.577 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -205.325 flat angles P-C4'-P energy: -126.935 tors. eta vs tors. theta energy: -260.625 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: 476 Temperature: 1.050000 Total energy: -2773.452950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.452950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.452950 (E_RNA) where: Base-Base interactions energy: -1919.456 where: short stacking energy: -819.711 Base-Backbone interact. energy: -4.487 local terms energy: -849.509676 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -183.950 flat angles C4'-P-C4' energy: -186.018 flat angles P-C4'-P energy: -101.946 tors. eta vs tors. theta energy: -219.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2475.204324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.204324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.204324 (E_RNA) where: Base-Base interactions energy: -1703.425 where: short stacking energy: -737.188 Base-Backbone interact. energy: -3.636 local terms energy: -768.143703 where: bonds (distance) C4'-P energy: -147.741 bonds (distance) P-C4' energy: -151.642 flat angles C4'-P-C4' energy: -167.062 flat angles P-C4'-P energy: -117.464 tors. eta vs tors. theta energy: -184.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2265.356361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.356361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.356361 (E_RNA) where: Base-Base interactions energy: -1509.596 where: short stacking energy: -694.736 Base-Backbone interact. energy: -1.916 local terms energy: -753.843658 where: bonds (distance) C4'-P energy: -140.915 bonds (distance) P-C4' energy: -169.302 flat angles C4'-P-C4' energy: -166.309 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -169.251 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: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2104.542549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.542549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.542549 (E_RNA) where: Base-Base interactions energy: -1402.257 where: short stacking energy: -605.517 Base-Backbone interact. energy: -1.851 local terms energy: -700.434506 where: bonds (distance) C4'-P energy: -153.310 bonds (distance) P-C4' energy: -155.911 flat angles C4'-P-C4' energy: -165.803 flat angles P-C4'-P energy: -90.264 tors. eta vs tors. theta energy: -135.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1711.335292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.335292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.335292 (E_RNA) where: Base-Base interactions energy: -1078.091 where: short stacking energy: -486.852 Base-Backbone interact. energy: -1.670 local terms energy: -631.574004 where: bonds (distance) C4'-P energy: -152.881 bonds (distance) P-C4' energy: -149.851 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -92.062 tors. eta vs tors. theta energy: -93.240 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: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1273.241532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.241532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.241532 (E_RNA) where: Base-Base interactions energy: -750.784 where: short stacking energy: -353.222 Base-Backbone interact. energy: -3.241 local terms energy: -519.216371 where: bonds (distance) C4'-P energy: -132.304 bonds (distance) P-C4' energy: -161.649 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -69.135 tors. eta vs tors. theta energy: -29.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -929.479050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.479050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.479050 (E_RNA) where: Base-Base interactions energy: -460.017 where: short stacking energy: -264.856 Base-Backbone interact. energy: 2.619 local terms energy: -472.080910 where: bonds (distance) C4'-P energy: -148.815 bonds (distance) P-C4' energy: -163.890 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: 2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3080.835348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.835348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.835348 (E_RNA) where: Base-Base interactions energy: -2083.492 where: short stacking energy: -953.986 Base-Backbone interact. energy: -0.702 local terms energy: -996.641148 where: bonds (distance) C4'-P energy: -176.453 bonds (distance) P-C4' energy: -192.163 flat angles C4'-P-C4' energy: -203.324 flat angles P-C4'-P energy: -147.572 tors. eta vs tors. theta energy: -277.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3063.520305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.520305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.520305 (E_RNA) where: Base-Base interactions energy: -2090.950 where: short stacking energy: -903.281 Base-Backbone interact. energy: -2.641 local terms energy: -969.929012 where: bonds (distance) C4'-P energy: -175.238 bonds (distance) P-C4' energy: -188.327 flat angles C4'-P-C4' energy: -190.494 flat angles P-C4'-P energy: -148.162 tors. eta vs tors. theta energy: -267.708 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: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2917.883671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.883671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.883671 (E_RNA) where: Base-Base interactions energy: -1990.124 where: short stacking energy: -844.693 Base-Backbone interact. energy: -0.442 local terms energy: -927.317167 where: bonds (distance) C4'-P energy: -166.890 bonds (distance) P-C4' energy: -186.914 flat angles C4'-P-C4' energy: -194.248 flat angles P-C4'-P energy: -122.672 tors. eta vs tors. theta energy: -256.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2741.882941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.882941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.882941 (E_RNA) where: Base-Base interactions energy: -1876.385 where: short stacking energy: -834.809 Base-Backbone interact. energy: 1.298 local terms energy: -866.796388 where: bonds (distance) C4'-P energy: -164.100 bonds (distance) P-C4' energy: -179.198 flat angles C4'-P-C4' energy: -174.628 flat angles P-C4'-P energy: -125.580 tors. eta vs tors. theta energy: -223.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2505.429591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.429591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.429591 (E_RNA) where: Base-Base interactions energy: -1708.451 where: short stacking energy: -750.020 Base-Backbone interact. energy: -2.855 local terms energy: -794.123816 where: bonds (distance) C4'-P energy: -159.022 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -181.262 flat angles P-C4'-P energy: -105.794 tors. eta vs tors. theta energy: -196.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2290.047019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.047019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.047019 (E_RNA) where: Base-Base interactions energy: -1559.675 where: short stacking energy: -686.086 Base-Backbone interact. energy: 16.912 local terms energy: -747.284293 where: bonds (distance) C4'-P energy: -154.084 bonds (distance) P-C4' energy: -160.641 flat angles C4'-P-C4' energy: -166.979 flat angles P-C4'-P energy: -97.906 tors. eta vs tors. theta energy: -167.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2116.770273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.770273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.770273 (E_RNA) where: Base-Base interactions energy: -1409.697 where: short stacking energy: -617.393 Base-Backbone interact. energy: -0.382 local terms energy: -706.690839 where: bonds (distance) C4'-P energy: -144.594 bonds (distance) P-C4' energy: -146.452 flat angles C4'-P-C4' energy: -182.875 flat angles P-C4'-P energy: -82.665 tors. eta vs tors. theta energy: -150.105 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: 8, replica: 10 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1710.931376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.931376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.931376 (E_RNA) where: Base-Base interactions energy: -1104.318 where: short stacking energy: -518.588 Base-Backbone interact. energy: 0.306 local terms energy: -606.918911 where: bonds (distance) C4'-P energy: -159.260 bonds (distance) P-C4' energy: -134.867 flat angles C4'-P-C4' energy: -139.635 flat angles P-C4'-P energy: -89.645 tors. eta vs tors. theta energy: -83.512 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: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1152.958711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.958711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.958711 (E_RNA) where: Base-Base interactions energy: -649.560 where: short stacking energy: -312.516 Base-Backbone interact. energy: -2.061 local terms energy: -501.337495 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -157.091 flat angles C4'-P-C4' energy: -127.641 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -19.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -907.065491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.065491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.065491 (E_RNA) where: Base-Base interactions energy: -418.535 where: short stacking energy: -266.543 Base-Backbone interact. energy: -1.369 local terms energy: -487.161891 where: bonds (distance) C4'-P energy: -117.494 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -142.603 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3158.415318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.415318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.415318 (E_RNA) where: Base-Base interactions energy: -2176.005 where: short stacking energy: -959.009 Base-Backbone interact. energy: -3.277 local terms energy: -979.133709 where: bonds (distance) C4'-P energy: -174.237 bonds (distance) P-C4' energy: -187.168 flat angles C4'-P-C4' energy: -212.586 flat angles P-C4'-P energy: -134.230 tors. eta vs tors. theta energy: -270.912 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: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3027.140283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.140283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.140283 (E_RNA) where: Base-Base interactions energy: -2079.607 where: short stacking energy: -949.979 Base-Backbone interact. energy: -2.121 local terms energy: -945.412399 where: bonds (distance) C4'-P energy: -170.668 bonds (distance) P-C4' energy: -175.188 flat angles C4'-P-C4' energy: -191.950 flat angles P-C4'-P energy: -130.648 tors. eta vs tors. theta energy: -276.958 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: 3, replica: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2907.738465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.738465 (E_RNA) where: Base-Base interactions energy: -1984.508 where: short stacking energy: -878.074 Base-Backbone interact. energy: 1.283 local terms energy: -924.514038 where: bonds (distance) C4'-P energy: -157.928 bonds (distance) P-C4' energy: -176.799 flat angles C4'-P-C4' energy: -191.011 flat angles P-C4'-P energy: -131.280 tors. eta vs tors. theta energy: -267.495 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: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2723.822001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.822001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.822001 (E_RNA) where: Base-Base interactions energy: -1859.923 where: short stacking energy: -821.693 Base-Backbone interact. energy: -1.915 local terms energy: -861.984000 where: bonds (distance) C4'-P energy: -148.386 bonds (distance) P-C4' energy: -172.219 flat angles C4'-P-C4' energy: -201.594 flat angles P-C4'-P energy: -115.680 tors. eta vs tors. theta energy: -224.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2491.663196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.663196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.663196 (E_RNA) where: Base-Base interactions energy: -1724.956 where: short stacking energy: -746.190 Base-Backbone interact. energy: 0.751 local terms energy: -767.458386 where: bonds (distance) C4'-P energy: -142.951 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -181.161 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -187.646 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: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2311.522448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.522448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.522448 (E_RNA) where: Base-Base interactions energy: -1517.275 where: short stacking energy: -673.286 Base-Backbone interact. energy: -1.060 local terms energy: -793.187405 where: bonds (distance) C4'-P energy: -166.050 bonds (distance) P-C4' energy: -169.877 flat angles C4'-P-C4' energy: -175.173 flat angles P-C4'-P energy: -116.188 tors. eta vs tors. theta energy: -165.900 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: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2137.666860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.666860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.666860 (E_RNA) where: Base-Base interactions energy: -1437.374 where: short stacking energy: -613.339 Base-Backbone interact. energy: -1.054 local terms energy: -699.239064 where: bonds (distance) C4'-P energy: -149.688 bonds (distance) P-C4' energy: -158.579 flat angles C4'-P-C4' energy: -158.954 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -146.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1747.204161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.204161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.204161 (E_RNA) where: Base-Base interactions energy: -1106.534 where: short stacking energy: -544.191 Base-Backbone interact. energy: 2.622 local terms energy: -643.292715 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -148.898 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -113.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1135.886465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.886465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.886465 (E_RNA) where: Base-Base interactions energy: -651.999 where: short stacking energy: -354.311 Base-Backbone interact. energy: 8.348 local terms energy: -492.235595 where: bonds (distance) C4'-P energy: -119.965 bonds (distance) P-C4' energy: -160.872 flat angles C4'-P-C4' energy: -128.166 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: -20.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -856.949146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.949146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.949146 (E_RNA) where: Base-Base interactions energy: -413.974 where: short stacking energy: -246.538 Base-Backbone interact. energy: 4.539 local terms energy: -447.514129 where: bonds (distance) C4'-P energy: -105.549 bonds (distance) P-C4' energy: -141.479 flat angles C4'-P-C4' energy: -135.780 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: 7.729 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: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3160.456068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.456068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.456068 (E_RNA) where: Base-Base interactions energy: -2168.045 where: short stacking energy: -946.322 Base-Backbone interact. energy: -1.426 local terms energy: -990.985260 where: bonds (distance) C4'-P energy: -187.327 bonds (distance) P-C4' energy: -184.683 flat angles C4'-P-C4' energy: -207.199 flat angles P-C4'-P energy: -142.332 tors. eta vs tors. theta energy: -269.444 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: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3015.039891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.039891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.039891 (E_RNA) where: Base-Base interactions energy: -2076.007 where: short stacking energy: -932.738 Base-Backbone interact. energy: -2.509 local terms energy: -936.524582 where: bonds (distance) C4'-P energy: -173.895 bonds (distance) P-C4' energy: -163.971 flat angles C4'-P-C4' energy: -199.874 flat angles P-C4'-P energy: -122.687 tors. eta vs tors. theta energy: -276.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2915.632862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.632862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.632862 (E_RNA) where: Base-Base interactions energy: -1987.519 where: short stacking energy: -891.070 Base-Backbone interact. energy: 0.946 local terms energy: -929.059677 where: bonds (distance) C4'-P energy: -144.263 bonds (distance) P-C4' energy: -170.268 flat angles C4'-P-C4' energy: -194.565 flat angles P-C4'-P energy: -152.484 tors. eta vs tors. theta energy: -267.479 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: 479 Temperature: 1.050000 Total energy: -2803.892263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.892263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.892263 (E_RNA) where: Base-Base interactions energy: -1922.818 where: short stacking energy: -861.494 Base-Backbone interact. energy: -1.017 local terms energy: -880.057407 where: bonds (distance) C4'-P energy: -160.336 bonds (distance) P-C4' energy: -149.890 flat angles C4'-P-C4' energy: -206.632 flat angles P-C4'-P energy: -137.026 tors. eta vs tors. theta energy: -226.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2473.435816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.435816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.435816 (E_RNA) where: Base-Base interactions energy: -1671.409 where: short stacking energy: -740.808 Base-Backbone interact. energy: -0.782 local terms energy: -801.245423 where: bonds (distance) C4'-P energy: -148.544 bonds (distance) P-C4' energy: -165.454 flat angles C4'-P-C4' energy: -161.270 flat angles P-C4'-P energy: -132.767 tors. eta vs tors. theta energy: -193.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2343.042471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.042471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.042471 (E_RNA) where: Base-Base interactions energy: -1582.277 where: short stacking energy: -706.144 Base-Backbone interact. energy: 0.638 local terms energy: -761.403912 where: bonds (distance) C4'-P energy: -137.340 bonds (distance) P-C4' energy: -146.032 flat angles C4'-P-C4' energy: -172.518 flat angles P-C4'-P energy: -122.049 tors. eta vs tors. theta energy: -183.463 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: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2120.436358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.436358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.436358 (E_RNA) where: Base-Base interactions energy: -1411.098 where: short stacking energy: -606.887 Base-Backbone interact. energy: 0.717 local terms energy: -710.055377 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -156.897 flat angles C4'-P-C4' energy: -156.722 flat angles P-C4'-P energy: -126.408 tors. eta vs tors. theta energy: -144.853 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: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1839.846228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.846228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.846228 (E_RNA) where: Base-Base interactions energy: -1180.649 where: short stacking energy: -522.609 Base-Backbone interact. energy: -0.697 local terms energy: -658.499974 where: bonds (distance) C4'-P energy: -150.632 bonds (distance) P-C4' energy: -152.049 flat angles C4'-P-C4' energy: -142.056 flat angles P-C4'-P energy: -88.556 tors. eta vs tors. theta energy: -125.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1228.645840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.645840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.645840 (E_RNA) where: Base-Base interactions energy: -690.408 where: short stacking energy: -346.346 Base-Backbone interact. energy: -3.403 local terms energy: -534.835419 where: bonds (distance) C4'-P energy: -139.825 bonds (distance) P-C4' energy: -167.452 flat angles C4'-P-C4' energy: -111.480 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -38.291 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: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -817.292926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.292926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.292926 (E_RNA) where: Base-Base interactions energy: -365.408 where: short stacking energy: -242.116 Base-Backbone interact. energy: 4.178 local terms energy: -456.063259 where: bonds (distance) C4'-P energy: -134.530 bonds (distance) P-C4' energy: -137.372 flat angles C4'-P-C4' energy: -130.734 flat angles P-C4'-P energy: -83.917 tors. eta vs tors. theta energy: 30.490 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: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3136.205977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.205977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.205977 (E_RNA) where: Base-Base interactions energy: -2146.125 where: short stacking energy: -961.077 Base-Backbone interact. energy: -5.986 local terms energy: -984.095611 where: bonds (distance) C4'-P energy: -182.630 bonds (distance) P-C4' energy: -176.604 flat angles C4'-P-C4' energy: -204.706 flat angles P-C4'-P energy: -147.141 tors. eta vs tors. theta energy: -273.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3054.992729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.992729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.992729 (E_RNA) where: Base-Base interactions energy: -2091.393 where: short stacking energy: -956.068 Base-Backbone interact. energy: -0.812 local terms energy: -962.787612 where: bonds (distance) C4'-P energy: -164.553 bonds (distance) P-C4' energy: -188.169 flat angles C4'-P-C4' energy: -203.257 flat angles P-C4'-P energy: -130.936 tors. eta vs tors. theta energy: -275.872 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: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2914.505759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.505759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.505759 (E_RNA) where: Base-Base interactions energy: -1981.696 where: short stacking energy: -866.154 Base-Backbone interact. energy: 1.430 local terms energy: -934.239809 where: bonds (distance) C4'-P energy: -174.656 bonds (distance) P-C4' energy: -173.531 flat angles C4'-P-C4' energy: -188.349 flat angles P-C4'-P energy: -129.923 tors. eta vs tors. theta energy: -267.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2725.471190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.471190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.471190 (E_RNA) where: Base-Base interactions energy: -1849.625 where: short stacking energy: -804.005 Base-Backbone interact. energy: -1.258 local terms energy: -874.588104 where: bonds (distance) C4'-P energy: -163.017 bonds (distance) P-C4' energy: -174.432 flat angles C4'-P-C4' energy: -186.642 flat angles P-C4'-P energy: -127.859 tors. eta vs tors. theta energy: -222.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2475.995024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.995024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.995024 (E_RNA) where: Base-Base interactions energy: -1659.155 where: short stacking energy: -759.948 Base-Backbone interact. energy: -0.347 local terms energy: -816.492625 where: bonds (distance) C4'-P energy: -161.869 bonds (distance) P-C4' energy: -171.795 flat angles C4'-P-C4' energy: -183.726 flat angles P-C4'-P energy: -110.283 tors. eta vs tors. theta energy: -188.820 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: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2276.308549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.308549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.308549 (E_RNA) where: Base-Base interactions energy: -1499.149 where: short stacking energy: -689.941 Base-Backbone interact. energy: -1.915 local terms energy: -775.245302 where: bonds (distance) C4'-P energy: -145.423 bonds (distance) P-C4' energy: -162.462 flat angles C4'-P-C4' energy: -182.518 flat angles P-C4'-P energy: -116.669 tors. eta vs tors. theta energy: -168.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2095.699673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.699673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.699673 (E_RNA) where: Base-Base interactions energy: -1380.019 where: short stacking energy: -592.476 Base-Backbone interact. energy: -2.076 local terms energy: -713.604917 where: bonds (distance) C4'-P energy: -142.131 bonds (distance) P-C4' energy: -157.545 flat angles C4'-P-C4' energy: -171.195 flat angles P-C4'-P energy: -108.285 tors. eta vs tors. theta energy: -134.450 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: 480 Temperature: 1.250000 Total energy: -1782.837430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.837430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.837430 (E_RNA) where: Base-Base interactions energy: -1178.335 where: short stacking energy: -526.788 Base-Backbone interact. energy: -1.239 local terms energy: -603.263294 where: bonds (distance) C4'-P energy: -118.358 bonds (distance) P-C4' energy: -160.514 flat angles C4'-P-C4' energy: -138.248 flat angles P-C4'-P energy: -102.792 tors. eta vs tors. theta energy: -83.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1214.160605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.160605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.160605 (E_RNA) where: Base-Base interactions energy: -722.427 where: short stacking energy: -353.321 Base-Backbone interact. energy: 11.823 local terms energy: -503.557452 where: bonds (distance) C4'-P energy: -125.714 bonds (distance) P-C4' energy: -133.155 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -89.840 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: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -774.453726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.453726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.453726 (E_RNA) where: Base-Base interactions energy: -315.795 where: short stacking energy: -241.422 Base-Backbone interact. energy: -1.794 local terms energy: -456.864313 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -123.948 flat angles C4'-P-C4' energy: -112.520 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3159.632781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.632781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.632781 (E_RNA) where: Base-Base interactions energy: -2158.092 where: short stacking energy: -923.637 Base-Backbone interact. energy: -4.079 local terms energy: -997.461811 where: bonds (distance) C4'-P energy: -177.513 bonds (distance) P-C4' energy: -189.107 flat angles C4'-P-C4' energy: -212.915 flat angles P-C4'-P energy: -141.977 tors. eta vs tors. theta energy: -275.950 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: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3022.652080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.652080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.652080 (E_RNA) where: Base-Base interactions energy: -2092.571 where: short stacking energy: -943.412 Base-Backbone interact. energy: 4.979 local terms energy: -935.059980 where: bonds (distance) C4'-P energy: -179.500 bonds (distance) P-C4' energy: -170.846 flat angles C4'-P-C4' energy: -201.715 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -269.536 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: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2916.749334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.749334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.749334 (E_RNA) where: Base-Base interactions energy: -1997.209 where: short stacking energy: -902.142 Base-Backbone interact. energy: -0.191 local terms energy: -919.349805 where: bonds (distance) C4'-P energy: -173.004 bonds (distance) P-C4' energy: -169.019 flat angles C4'-P-C4' energy: -191.683 flat angles P-C4'-P energy: -121.420 tors. eta vs tors. theta energy: -264.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2692.524875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.524875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.524875 (E_RNA) where: Base-Base interactions energy: -1843.594 where: short stacking energy: -804.696 Base-Backbone interact. energy: -5.445 local terms energy: -843.486291 where: bonds (distance) C4'-P energy: -157.098 bonds (distance) P-C4' energy: -159.818 flat angles C4'-P-C4' energy: -184.822 flat angles P-C4'-P energy: -116.129 tors. eta vs tors. theta energy: -225.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2520.478415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.478415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.478415 (E_RNA) where: Base-Base interactions energy: -1667.135 where: short stacking energy: -759.707 Base-Backbone interact. energy: -2.947 local terms energy: -850.396260 where: bonds (distance) C4'-P energy: -154.881 bonds (distance) P-C4' energy: -181.168 flat angles C4'-P-C4' energy: -181.013 flat angles P-C4'-P energy: -130.428 tors. eta vs tors. theta energy: -202.906 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: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2324.403978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.403978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.403978 (E_RNA) where: Base-Base interactions energy: -1571.085 where: short stacking energy: -707.660 Base-Backbone interact. energy: 1.054 local terms energy: -754.373259 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -169.184 flat angles C4'-P-C4' energy: -176.283 flat angles P-C4'-P energy: -115.398 tors. eta vs tors. theta energy: -169.714 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: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2032.181173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.181173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.181173 (E_RNA) where: Base-Base interactions energy: -1343.650 where: short stacking energy: -595.920 Base-Backbone interact. energy: -0.696 local terms energy: -687.835347 where: bonds (distance) C4'-P energy: -131.055 bonds (distance) P-C4' energy: -156.763 flat angles C4'-P-C4' energy: -156.338 flat angles P-C4'-P energy: -102.995 tors. eta vs tors. theta energy: -140.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1786.318498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.318498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.318498 (E_RNA) where: Base-Base interactions energy: -1160.274 where: short stacking energy: -518.760 Base-Backbone interact. energy: -0.711 local terms energy: -625.333107 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -145.922 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -102.128 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: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1204.496720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.496720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.496720 (E_RNA) where: Base-Base interactions energy: -682.818 where: short stacking energy: -360.817 Base-Backbone interact. energy: 2.674 local terms energy: -524.352863 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -155.295 flat angles C4'-P-C4' energy: -138.935 flat angles P-C4'-P energy: -54.136 tors. eta vs tors. theta energy: -39.552 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: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -782.270334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.270334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.270334 (E_RNA) where: Base-Base interactions energy: -315.634 where: short stacking energy: -233.361 Base-Backbone interact. energy: 5.981 local terms energy: -472.617456 where: bonds (distance) C4'-P energy: -135.909 bonds (distance) P-C4' energy: -141.250 flat angles C4'-P-C4' energy: -127.729 flat angles P-C4'-P energy: -91.035 tors. eta vs tors. theta energy: 23.305 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: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3164.572087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.572087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.572087 (E_RNA) where: Base-Base interactions energy: -2187.144 where: short stacking energy: -939.403 Base-Backbone interact. energy: -3.962 local terms energy: -973.466200 where: bonds (distance) C4'-P energy: -180.743 bonds (distance) P-C4' energy: -187.851 flat angles C4'-P-C4' energy: -200.905 flat angles P-C4'-P energy: -144.363 tors. eta vs tors. theta energy: -259.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2998.753511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.753511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.753511 (E_RNA) where: Base-Base interactions energy: -2020.789 where: short stacking energy: -912.484 Base-Backbone interact. energy: -1.058 local terms energy: -976.906548 where: bonds (distance) C4'-P energy: -179.062 bonds (distance) P-C4' energy: -173.754 flat angles C4'-P-C4' energy: -202.240 flat angles P-C4'-P energy: -154.776 tors. eta vs tors. theta energy: -267.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2941.911860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.911860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.911860 (E_RNA) where: Base-Base interactions energy: -2020.891 where: short stacking energy: -894.837 Base-Backbone interact. energy: -0.440 local terms energy: -920.580514 where: bonds (distance) C4'-P energy: -147.904 bonds (distance) P-C4' energy: -186.244 flat angles C4'-P-C4' energy: -189.421 flat angles P-C4'-P energy: -138.858 tors. eta vs tors. theta energy: -258.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2697.757595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.757595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.757595 (E_RNA) where: Base-Base interactions energy: -1856.494 where: short stacking energy: -825.189 Base-Backbone interact. energy: 1.089 local terms energy: -842.352512 where: bonds (distance) C4'-P energy: -168.323 bonds (distance) P-C4' energy: -163.543 flat angles C4'-P-C4' energy: -188.273 flat angles P-C4'-P energy: -112.476 tors. eta vs tors. theta energy: -209.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2521.708828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.708828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.708828 (E_RNA) where: Base-Base interactions energy: -1682.981 where: short stacking energy: -780.335 Base-Backbone interact. energy: 4.629 local terms energy: -843.357023 where: bonds (distance) C4'-P energy: -150.683 bonds (distance) P-C4' energy: -176.078 flat angles C4'-P-C4' energy: -183.008 flat angles P-C4'-P energy: -125.711 tors. eta vs tors. theta energy: -207.876 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: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2338.199277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.199277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.199277 (E_RNA) where: Base-Base interactions energy: -1582.864 where: short stacking energy: -718.243 Base-Backbone interact. energy: 4.113 local terms energy: -759.448659 where: bonds (distance) C4'-P energy: -136.323 bonds (distance) P-C4' energy: -155.893 flat angles C4'-P-C4' energy: -191.773 flat angles P-C4'-P energy: -105.382 tors. eta vs tors. theta energy: -170.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2079.281472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.281472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.281472 (E_RNA) where: Base-Base interactions energy: -1349.754 where: short stacking energy: -591.644 Base-Backbone interact. energy: -4.363 local terms energy: -725.163932 where: bonds (distance) C4'-P energy: -155.694 bonds (distance) P-C4' energy: -177.228 flat angles C4'-P-C4' energy: -160.933 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -137.010 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: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1837.552540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.552540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.552540 (E_RNA) where: Base-Base interactions energy: -1179.752 where: short stacking energy: -538.442 Base-Backbone interact. energy: 5.124 local terms energy: -662.924163 where: bonds (distance) C4'-P energy: -159.631 bonds (distance) P-C4' energy: -153.953 flat angles C4'-P-C4' energy: -161.219 flat angles P-C4'-P energy: -84.740 tors. eta vs tors. theta energy: -103.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1196.584422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.584422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.584422 (E_RNA) where: Base-Base interactions energy: -646.441 where: short stacking energy: -355.038 Base-Backbone interact. energy: -1.354 local terms energy: -548.789266 where: bonds (distance) C4'-P energy: -143.271 bonds (distance) P-C4' energy: -152.925 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -74.625 tors. eta vs tors. theta energy: -40.071 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: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -796.183685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.183685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.183685 (E_RNA) where: Base-Base interactions energy: -336.307 where: short stacking energy: -245.832 Base-Backbone interact. energy: -3.460 local terms energy: -456.416362 where: bonds (distance) C4'-P energy: -144.149 bonds (distance) P-C4' energy: -139.664 flat angles C4'-P-C4' energy: -123.940 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: 6.616 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: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3126.477132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.477132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.477132 (E_RNA) where: Base-Base interactions energy: -2160.002 where: short stacking energy: -965.302 Base-Backbone interact. energy: -2.065 local terms energy: -964.409497 where: bonds (distance) C4'-P energy: -174.338 bonds (distance) P-C4' energy: -175.266 flat angles C4'-P-C4' energy: -200.501 flat angles P-C4'-P energy: -136.385 tors. eta vs tors. theta energy: -277.919 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: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3023.780331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.780331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.780331 (E_RNA) where: Base-Base interactions energy: -2052.725 where: short stacking energy: -936.697 Base-Backbone interact. energy: -1.242 local terms energy: -969.813588 where: bonds (distance) C4'-P energy: -173.672 bonds (distance) P-C4' energy: -184.765 flat angles C4'-P-C4' energy: -202.902 flat angles P-C4'-P energy: -131.537 tors. eta vs tors. theta energy: -276.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2962.500654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.500654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.500654 (E_RNA) where: Base-Base interactions energy: -2067.778 where: short stacking energy: -899.059 Base-Backbone interact. energy: 0.642 local terms energy: -895.363890 where: bonds (distance) C4'-P energy: -163.008 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -190.539 flat angles P-C4'-P energy: -128.056 tors. eta vs tors. theta energy: -255.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2731.190292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.190292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.190292 (E_RNA) where: Base-Base interactions energy: -1876.218 where: short stacking energy: -878.221 Base-Backbone interact. energy: -2.728 local terms energy: -852.244363 where: bonds (distance) C4'-P energy: -158.833 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -177.081 flat angles P-C4'-P energy: -138.132 tors. eta vs tors. theta energy: -224.496 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2543.335900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.335900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.335900 (E_RNA) where: Base-Base interactions energy: -1719.948 where: short stacking energy: -795.554 Base-Backbone interact. energy: -0.351 local terms energy: -823.037521 where: bonds (distance) C4'-P energy: -153.217 bonds (distance) P-C4' energy: -160.151 flat angles C4'-P-C4' energy: -174.091 flat angles P-C4'-P energy: -126.499 tors. eta vs tors. theta energy: -209.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2295.217172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.217172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.217172 (E_RNA) where: Base-Base interactions energy: -1569.097 where: short stacking energy: -708.668 Base-Backbone interact. energy: -1.290 local terms energy: -724.830188 where: bonds (distance) C4'-P energy: -152.273 bonds (distance) P-C4' energy: -128.882 flat angles C4'-P-C4' energy: -169.110 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -175.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2095.052219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.052219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.052219 (E_RNA) where: Base-Base interactions energy: -1387.997 where: short stacking energy: -644.613 Base-Backbone interact. energy: 1.549 local terms energy: -708.604153 where: bonds (distance) C4'-P energy: -120.844 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -158.519 flat angles P-C4'-P energy: -121.520 tors. eta vs tors. theta energy: -162.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1816.613788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.613788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.613788 (E_RNA) where: Base-Base interactions energy: -1147.689 where: short stacking energy: -521.918 Base-Backbone interact. energy: 0.097 local terms energy: -669.021648 where: bonds (distance) C4'-P energy: -146.964 bonds (distance) P-C4' energy: -153.358 flat angles C4'-P-C4' energy: -158.739 flat angles P-C4'-P energy: -107.793 tors. eta vs tors. theta energy: -102.168 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: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1214.472757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.472757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.472757 (E_RNA) where: Base-Base interactions energy: -706.288 where: short stacking energy: -355.630 Base-Backbone interact. energy: 2.667 local terms energy: -510.851390 where: bonds (distance) C4'-P energy: -158.951 bonds (distance) P-C4' energy: -151.344 flat angles C4'-P-C4' energy: -118.766 flat angles P-C4'-P energy: -63.293 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -784.807110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.807110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.807110 (E_RNA) where: Base-Base interactions energy: -351.346 where: short stacking energy: -235.250 Base-Backbone interact. energy: 6.131 local terms energy: -439.591534 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -121.002 flat angles C4'-P-C4' energy: -109.851 flat angles P-C4'-P energy: -64.726 tors. eta vs tors. theta energy: 6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3135.211560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.211560 (E_RNA) where: Base-Base interactions energy: -2152.776 where: short stacking energy: -928.173 Base-Backbone interact. energy: -2.761 local terms energy: -979.674668 where: bonds (distance) C4'-P energy: -185.420 bonds (distance) P-C4' energy: -189.803 flat angles C4'-P-C4' energy: -202.808 flat angles P-C4'-P energy: -141.105 tors. eta vs tors. theta energy: -260.538 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: 3 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3007.134861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.134861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.134861 (E_RNA) where: Base-Base interactions energy: -2034.227 where: short stacking energy: -906.540 Base-Backbone interact. energy: -3.555 local terms energy: -969.353148 where: bonds (distance) C4'-P energy: -181.182 bonds (distance) P-C4' energy: -186.796 flat angles C4'-P-C4' energy: -194.673 flat angles P-C4'-P energy: -134.988 tors. eta vs tors. theta energy: -271.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2960.790793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.790793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.790793 (E_RNA) where: Base-Base interactions energy: -2030.954 where: short stacking energy: -897.545 Base-Backbone interact. energy: 2.555 local terms energy: -932.391607 where: bonds (distance) C4'-P energy: -170.041 bonds (distance) P-C4' energy: -175.672 flat angles C4'-P-C4' energy: -196.605 flat angles P-C4'-P energy: -121.995 tors. eta vs tors. theta energy: -268.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2709.986003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.986003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.986003 (E_RNA) where: Base-Base interactions energy: -1865.406 where: short stacking energy: -833.060 Base-Backbone interact. energy: -2.139 local terms energy: -842.440575 where: bonds (distance) C4'-P energy: -176.428 bonds (distance) P-C4' energy: -149.804 flat angles C4'-P-C4' energy: -187.436 flat angles P-C4'-P energy: -108.486 tors. eta vs tors. theta energy: -220.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2572.976560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.976560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.976560 (E_RNA) where: Base-Base interactions energy: -1737.928 where: short stacking energy: -763.332 Base-Backbone interact. energy: -1.713 local terms energy: -833.335587 where: bonds (distance) C4'-P energy: -152.977 bonds (distance) P-C4' energy: -173.769 flat angles C4'-P-C4' energy: -188.832 flat angles P-C4'-P energy: -102.416 tors. eta vs tors. theta energy: -215.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2264.270095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.270095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.270095 (E_RNA) where: Base-Base interactions energy: -1524.358 where: short stacking energy: -678.921 Base-Backbone interact. energy: 0.877 local terms energy: -740.789227 where: bonds (distance) C4'-P energy: -147.490 bonds (distance) P-C4' energy: -159.167 flat angles C4'-P-C4' energy: -182.526 flat angles P-C4'-P energy: -88.460 tors. eta vs tors. theta energy: -163.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2139.067742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.067742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.067742 (E_RNA) where: Base-Base interactions energy: -1447.086 where: short stacking energy: -649.325 Base-Backbone interact. energy: -1.211 local terms energy: -690.770188 where: bonds (distance) C4'-P energy: -141.173 bonds (distance) P-C4' energy: -133.686 flat angles C4'-P-C4' energy: -181.623 flat angles P-C4'-P energy: -79.467 tors. eta vs tors. theta energy: -154.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1767.106197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.106197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.106197 (E_RNA) where: Base-Base interactions energy: -1128.061 where: short stacking energy: -533.817 Base-Backbone interact. energy: 3.251 local terms energy: -642.297059 where: bonds (distance) C4'-P energy: -156.312 bonds (distance) P-C4' energy: -169.682 flat angles C4'-P-C4' energy: -138.567 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -113.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1253.047301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.047301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.047301 (E_RNA) where: Base-Base interactions energy: -723.127 where: short stacking energy: -368.840 Base-Backbone interact. energy: 3.620 local terms energy: -533.540454 where: bonds (distance) C4'-P energy: -159.517 bonds (distance) P-C4' energy: -150.736 flat angles C4'-P-C4' energy: -130.662 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -21.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -770.069208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.069208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.069208 (E_RNA) where: Base-Base interactions energy: -310.406 where: short stacking energy: -221.933 Base-Backbone interact. energy: 2.959 local terms energy: -462.621842 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -125.190 flat angles C4'-P-C4' energy: -138.337 flat angles P-C4'-P energy: -81.850 tors. eta vs tors. theta energy: 32.989 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: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3163.179847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.179847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.179847 (E_RNA) where: Base-Base interactions energy: -2195.578 where: short stacking energy: -940.149 Base-Backbone interact. energy: -3.935 local terms energy: -963.666042 where: bonds (distance) C4'-P energy: -164.014 bonds (distance) P-C4' energy: -186.125 flat angles C4'-P-C4' energy: -196.480 flat angles P-C4'-P energy: -145.829 tors. eta vs tors. theta energy: -271.218 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: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2989.288150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.288150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.288150 (E_RNA) where: Base-Base interactions energy: -2046.321 where: short stacking energy: -916.802 Base-Backbone interact. energy: -2.353 local terms energy: -940.613402 where: bonds (distance) C4'-P energy: -161.326 bonds (distance) P-C4' energy: -168.672 flat angles C4'-P-C4' energy: -199.429 flat angles P-C4'-P energy: -129.162 tors. eta vs tors. theta energy: -282.025 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2951.965855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.965855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.965855 (E_RNA) where: Base-Base interactions energy: -2027.617 where: short stacking energy: -904.004 Base-Backbone interact. energy: -3.264 local terms energy: -921.084736 where: bonds (distance) C4'-P energy: -168.156 bonds (distance) P-C4' energy: -166.077 flat angles C4'-P-C4' energy: -202.320 flat angles P-C4'-P energy: -111.677 tors. eta vs tors. theta energy: -272.855 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: 485 Temperature: 1.050000 Total energy: -2759.245864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.245864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.245864 (E_RNA) where: Base-Base interactions energy: -1893.741 where: short stacking energy: -834.462 Base-Backbone interact. energy: -2.893 local terms energy: -862.611227 where: bonds (distance) C4'-P energy: -139.672 bonds (distance) P-C4' energy: -177.939 flat angles C4'-P-C4' energy: -180.757 flat angles P-C4'-P energy: -138.140 tors. eta vs tors. theta energy: -226.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2536.479758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.479758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.479758 (E_RNA) where: Base-Base interactions energy: -1707.077 where: short stacking energy: -756.622 Base-Backbone interact. energy: -1.190 local terms energy: -828.212042 where: bonds (distance) C4'-P energy: -163.436 bonds (distance) P-C4' energy: -158.804 flat angles C4'-P-C4' energy: -189.507 flat angles P-C4'-P energy: -115.904 tors. eta vs tors. theta energy: -200.561 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: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2249.978929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.978929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.978929 (E_RNA) where: Base-Base interactions energy: -1499.220 where: short stacking energy: -692.175 Base-Backbone interact. energy: -0.589 local terms energy: -750.169845 where: bonds (distance) C4'-P energy: -163.037 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -160.424 flat angles P-C4'-P energy: -100.087 tors. eta vs tors. theta energy: -176.110 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: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2214.765162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.765162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.765162 (E_RNA) where: Base-Base interactions energy: -1485.740 where: short stacking energy: -651.447 Base-Backbone interact. energy: -4.426 local terms energy: -724.599486 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -151.460 flat angles C4'-P-C4' energy: -162.111 flat angles P-C4'-P energy: -120.271 tors. eta vs tors. theta energy: -166.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1849.340205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.340205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.340205 (E_RNA) where: Base-Base interactions energy: -1185.305 where: short stacking energy: -538.547 Base-Backbone interact. energy: -0.008 local terms energy: -664.026507 where: bonds (distance) C4'-P energy: -149.827 bonds (distance) P-C4' energy: -150.112 flat angles C4'-P-C4' energy: -153.041 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -120.153 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: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1129.919036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.919036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.919036 (E_RNA) where: Base-Base interactions energy: -587.497 where: short stacking energy: -286.612 Base-Backbone interact. energy: 2.339 local terms energy: -544.761150 where: bonds (distance) C4'-P energy: -156.676 bonds (distance) P-C4' energy: -165.575 flat angles C4'-P-C4' energy: -140.995 flat angles P-C4'-P energy: -68.855 tors. eta vs tors. theta energy: -12.659 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: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -748.811593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.811593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.811593 (E_RNA) where: Base-Base interactions energy: -293.405 where: short stacking energy: -232.045 Base-Backbone interact. energy: -3.369 local terms energy: -452.038040 where: bonds (distance) C4'-P energy: -130.683 bonds (distance) P-C4' energy: -156.085 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: 27.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3201.383923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.383923 (E_RNA) where: Base-Base interactions energy: -2205.880 where: short stacking energy: -956.553 Base-Backbone interact. energy: -7.293 local terms energy: -988.210978 where: bonds (distance) C4'-P energy: -176.045 bonds (distance) P-C4' energy: -171.322 flat angles C4'-P-C4' energy: -217.000 flat angles P-C4'-P energy: -148.720 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: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3008.245744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.245744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.245744 (E_RNA) where: Base-Base interactions energy: -2048.718 where: short stacking energy: -956.147 Base-Backbone interact. energy: -3.745 local terms energy: -955.783082 where: bonds (distance) C4'-P energy: -166.557 bonds (distance) P-C4' energy: -168.453 flat angles C4'-P-C4' energy: -211.904 flat angles P-C4'-P energy: -126.744 tors. eta vs tors. theta energy: -282.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2964.329299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.329299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.329299 (E_RNA) where: Base-Base interactions energy: -2049.924 where: short stacking energy: -883.493 Base-Backbone interact. energy: -3.600 local terms energy: -910.806018 where: bonds (distance) C4'-P energy: -166.946 bonds (distance) P-C4' energy: -162.428 flat angles C4'-P-C4' energy: -203.117 flat angles P-C4'-P energy: -115.543 tors. eta vs tors. theta energy: -262.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2729.950272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.950272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.950272 (E_RNA) where: Base-Base interactions energy: -1875.631 where: short stacking energy: -819.831 Base-Backbone interact. energy: -1.261 local terms energy: -853.058812 where: bonds (distance) C4'-P energy: -164.945 bonds (distance) P-C4' energy: -158.705 flat angles C4'-P-C4' energy: -195.874 flat angles P-C4'-P energy: -125.053 tors. eta vs tors. theta energy: -208.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2588.826197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.826197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.826197 (E_RNA) where: Base-Base interactions energy: -1772.187 where: short stacking energy: -763.496 Base-Backbone interact. energy: -1.961 local terms energy: -814.678230 where: bonds (distance) C4'-P energy: -147.914 bonds (distance) P-C4' energy: -177.322 flat angles C4'-P-C4' energy: -180.110 flat angles P-C4'-P energy: -112.493 tors. eta vs tors. theta energy: -196.840 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: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2252.226481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.226481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.226481 (E_RNA) where: Base-Base interactions energy: -1523.393 where: short stacking energy: -654.643 Base-Backbone interact. energy: -0.431 local terms energy: -728.401742 where: bonds (distance) C4'-P energy: -147.692 bonds (distance) P-C4' energy: -155.815 flat angles C4'-P-C4' energy: -164.606 flat angles P-C4'-P energy: -89.156 tors. eta vs tors. theta energy: -171.132 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: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2173.155039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.155039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.155039 (E_RNA) where: Base-Base interactions energy: -1515.927 where: short stacking energy: -636.416 Base-Backbone interact. energy: 3.944 local terms energy: -661.172496 where: bonds (distance) C4'-P energy: -143.065 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -153.455 flat angles P-C4'-P energy: -98.292 tors. eta vs tors. theta energy: -137.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1888.186947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.186947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.186947 (E_RNA) where: Base-Base interactions energy: -1218.253 where: short stacking energy: -568.871 Base-Backbone interact. energy: -0.643 local terms energy: -669.290988 where: bonds (distance) C4'-P energy: -144.446 bonds (distance) P-C4' energy: -162.700 flat angles C4'-P-C4' energy: -145.405 flat angles P-C4'-P energy: -99.207 tors. eta vs tors. theta energy: -117.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1204.586929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.586929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.586929 (E_RNA) where: Base-Base interactions energy: -667.444 where: short stacking energy: -368.205 Base-Backbone interact. energy: -0.209 local terms energy: -536.933635 where: bonds (distance) C4'-P energy: -139.477 bonds (distance) P-C4' energy: -147.220 flat angles C4'-P-C4' energy: -138.660 flat angles P-C4'-P energy: -82.100 tors. eta vs tors. theta energy: -29.477 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: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -731.279432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.279432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.279432 (E_RNA) where: Base-Base interactions energy: -300.294 where: short stacking energy: -207.414 Base-Backbone interact. energy: 12.051 local terms energy: -443.036673 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -143.761 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: 30.241 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: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3188.303894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.303894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.303894 (E_RNA) where: Base-Base interactions energy: -2180.158 where: short stacking energy: -956.382 Base-Backbone interact. energy: -2.516 local terms energy: -1005.629123 where: bonds (distance) C4'-P energy: -173.412 bonds (distance) P-C4' energy: -186.880 flat angles C4'-P-C4' energy: -215.668 flat angles P-C4'-P energy: -154.455 tors. eta vs tors. theta energy: -275.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2989.935669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.935669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.935669 (E_RNA) where: Base-Base interactions energy: -2051.103 where: short stacking energy: -903.375 Base-Backbone interact. energy: -1.450 local terms energy: -937.382579 where: bonds (distance) C4'-P energy: -172.909 bonds (distance) P-C4' energy: -163.111 flat angles C4'-P-C4' energy: -208.462 flat angles P-C4'-P energy: -127.934 tors. eta vs tors. theta energy: -264.967 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: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2951.867528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.867528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.867528 (E_RNA) where: Base-Base interactions energy: -2008.349 where: short stacking energy: -909.222 Base-Backbone interact. energy: -2.199 local terms energy: -941.319428 where: bonds (distance) C4'-P energy: -168.811 bonds (distance) P-C4' energy: -190.172 flat angles C4'-P-C4' energy: -193.962 flat angles P-C4'-P energy: -128.058 tors. eta vs tors. theta energy: -260.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2710.445448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.445448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.445448 (E_RNA) where: Base-Base interactions energy: -1849.008 where: short stacking energy: -822.245 Base-Backbone interact. energy: 5.542 local terms energy: -866.979284 where: bonds (distance) C4'-P energy: -149.427 bonds (distance) P-C4' energy: -169.493 flat angles C4'-P-C4' energy: -194.151 flat angles P-C4'-P energy: -138.119 tors. eta vs tors. theta energy: -215.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2560.583003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.583003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.583003 (E_RNA) where: Base-Base interactions energy: -1742.186 where: short stacking energy: -784.323 Base-Backbone interact. energy: 5.559 local terms energy: -823.956016 where: bonds (distance) C4'-P energy: -164.879 bonds (distance) P-C4' energy: -144.120 flat angles C4'-P-C4' energy: -188.487 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -221.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2261.592732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.592732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.592732 (E_RNA) where: Base-Base interactions energy: -1517.135 where: short stacking energy: -674.864 Base-Backbone interact. energy: 2.282 local terms energy: -746.738859 where: bonds (distance) C4'-P energy: -136.674 bonds (distance) P-C4' energy: -167.339 flat angles C4'-P-C4' energy: -160.395 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -180.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2162.931368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.931368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.931368 (E_RNA) where: Base-Base interactions energy: -1476.374 where: short stacking energy: -634.060 Base-Backbone interact. energy: -1.377 local terms energy: -685.180310 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -83.703 tors. eta vs tors. theta energy: -139.893 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: 10 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1761.402435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.402435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.402435 (E_RNA) where: Base-Base interactions energy: -1116.056 where: short stacking energy: -499.533 Base-Backbone interact. energy: -1.206 local terms energy: -644.140188 where: bonds (distance) C4'-P energy: -134.016 bonds (distance) P-C4' energy: -161.175 flat angles C4'-P-C4' energy: -154.989 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1233.840072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.840072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.840072 (E_RNA) where: Base-Base interactions energy: -698.052 where: short stacking energy: -366.892 Base-Backbone interact. energy: -3.056 local terms energy: -532.731541 where: bonds (distance) C4'-P energy: -135.974 bonds (distance) P-C4' energy: -139.124 flat angles C4'-P-C4' energy: -130.220 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: -40.312 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -745.691275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.691275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.691275 (E_RNA) where: Base-Base interactions energy: -294.091 where: short stacking energy: -190.526 Base-Backbone interact. energy: 3.859 local terms energy: -455.459550 where: bonds (distance) C4'-P energy: -147.378 bonds (distance) P-C4' energy: -173.050 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -67.018 tors. eta vs tors. theta energy: 41.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3171.551222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.551222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.551222 (E_RNA) where: Base-Base interactions energy: -2210.447 where: short stacking energy: -938.132 Base-Backbone interact. energy: -1.200 local terms energy: -959.903907 where: bonds (distance) C4'-P energy: -164.343 bonds (distance) P-C4' energy: -185.695 flat angles C4'-P-C4' energy: -208.295 flat angles P-C4'-P energy: -129.710 tors. eta vs tors. theta energy: -271.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2992.626399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.626399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.626399 (E_RNA) where: Base-Base interactions energy: -2030.992 where: short stacking energy: -890.293 Base-Backbone interact. energy: -3.191 local terms energy: -958.442939 where: bonds (distance) C4'-P energy: -170.948 bonds (distance) P-C4' energy: -183.581 flat angles C4'-P-C4' energy: -209.448 flat angles P-C4'-P energy: -135.691 tors. eta vs tors. theta energy: -258.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2916.594875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.594875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.594875 (E_RNA) where: Base-Base interactions energy: -1993.354 where: short stacking energy: -896.632 Base-Backbone interact. energy: -3.694 local terms energy: -919.547112 where: bonds (distance) C4'-P energy: -163.921 bonds (distance) P-C4' energy: -181.356 flat angles C4'-P-C4' energy: -191.328 flat angles P-C4'-P energy: -125.116 tors. eta vs tors. theta energy: -257.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2729.827754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.827754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.827754 (E_RNA) where: Base-Base interactions energy: -1874.963 where: short stacking energy: -806.042 Base-Backbone interact. energy: 2.560 local terms energy: -857.424272 where: bonds (distance) C4'-P energy: -172.078 bonds (distance) P-C4' energy: -159.562 flat angles C4'-P-C4' energy: -178.776 flat angles P-C4'-P energy: -125.414 tors. eta vs tors. theta energy: -221.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2563.107115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.107115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.107115 (E_RNA) where: Base-Base interactions energy: -1735.322 where: short stacking energy: -787.435 Base-Backbone interact. energy: -2.739 local terms energy: -825.045729 where: bonds (distance) C4'-P energy: -162.652 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -181.528 flat angles P-C4'-P energy: -114.779 tors. eta vs tors. theta energy: -215.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2255.853777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.853777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.853777 (E_RNA) where: Base-Base interactions energy: -1490.534 where: short stacking energy: -687.566 Base-Backbone interact. energy: 1.578 local terms energy: -766.897808 where: bonds (distance) C4'-P energy: -167.641 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -176.568 flat angles P-C4'-P energy: -89.069 tors. eta vs tors. theta energy: -179.299 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: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2108.158025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.158025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.158025 (E_RNA) where: Base-Base interactions energy: -1440.865 where: short stacking energy: -602.699 Base-Backbone interact. energy: -3.239 local terms energy: -664.054162 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -147.318 flat angles P-C4'-P energy: -94.534 tors. eta vs tors. theta energy: -138.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1812.592880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.592880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.592880 (E_RNA) where: Base-Base interactions energy: -1172.970 where: short stacking energy: -556.513 Base-Backbone interact. energy: -3.734 local terms energy: -635.889246 where: bonds (distance) C4'-P energy: -136.956 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -141.692 flat angles P-C4'-P energy: -103.670 tors. eta vs tors. theta energy: -117.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1232.738240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.738240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.738240 (E_RNA) where: Base-Base interactions energy: -674.415 where: short stacking energy: -355.420 Base-Backbone interact. energy: -0.270 local terms energy: -558.052722 where: bonds (distance) C4'-P energy: -147.032 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -139.497 flat angles P-C4'-P energy: -107.733 tors. eta vs tors. theta energy: -30.038 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: 488 Temperature: 1.350000 Total energy: -734.518590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.518590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.518590 (E_RNA) where: Base-Base interactions energy: -278.254 where: short stacking energy: -199.165 Base-Backbone interact. energy: 7.676 local terms energy: -463.941032 where: bonds (distance) C4'-P energy: -150.215 bonds (distance) P-C4' energy: -162.390 flat angles C4'-P-C4' energy: -120.508 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: 18.286 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: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3175.691884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.691884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.691884 (E_RNA) where: Base-Base interactions energy: -2217.345 where: short stacking energy: -959.990 Base-Backbone interact. energy: -3.822 local terms energy: -954.525277 where: bonds (distance) C4'-P energy: -173.607 bonds (distance) P-C4' energy: -182.884 flat angles C4'-P-C4' energy: -206.109 flat angles P-C4'-P energy: -133.944 tors. eta vs tors. theta energy: -257.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3024.787984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.787984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.787984 (E_RNA) where: Base-Base interactions energy: -2070.727 where: short stacking energy: -919.599 Base-Backbone interact. energy: -2.231 local terms energy: -951.830109 where: bonds (distance) C4'-P energy: -174.683 bonds (distance) P-C4' energy: -165.077 flat angles C4'-P-C4' energy: -211.924 flat angles P-C4'-P energy: -136.101 tors. eta vs tors. theta energy: -264.045 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: 489 Temperature: 1.000000 Total energy: -2930.200054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.200054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.200054 (E_RNA) where: Base-Base interactions energy: -1981.127 where: short stacking energy: -873.203 Base-Backbone interact. energy: 0.314 local terms energy: -949.387217 where: bonds (distance) C4'-P energy: -181.407 bonds (distance) P-C4' energy: -177.740 flat angles C4'-P-C4' energy: -189.323 flat angles P-C4'-P energy: -137.898 tors. eta vs tors. theta energy: -263.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2726.659460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.659460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.659460 (E_RNA) where: Base-Base interactions energy: -1868.873 where: short stacking energy: -826.779 Base-Backbone interact. energy: -3.109 local terms energy: -854.676910 where: bonds (distance) C4'-P energy: -168.499 bonds (distance) P-C4' energy: -162.327 flat angles C4'-P-C4' energy: -191.351 flat angles P-C4'-P energy: -118.339 tors. eta vs tors. theta energy: -214.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2534.370559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.370559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.370559 (E_RNA) where: Base-Base interactions energy: -1684.492 where: short stacking energy: -760.896 Base-Backbone interact. energy: 0.729 local terms energy: -850.607418 where: bonds (distance) C4'-P energy: -159.943 bonds (distance) P-C4' energy: -168.284 flat angles C4'-P-C4' energy: -193.845 flat angles P-C4'-P energy: -127.433 tors. eta vs tors. theta energy: -201.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2258.853878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.853878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.853878 (E_RNA) where: Base-Base interactions energy: -1531.149 where: short stacking energy: -685.070 Base-Backbone interact. energy: 1.816 local terms energy: -729.521619 where: bonds (distance) C4'-P energy: -147.790 bonds (distance) P-C4' energy: -143.479 flat angles C4'-P-C4' energy: -175.457 flat angles P-C4'-P energy: -100.593 tors. eta vs tors. theta energy: -162.203 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: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2166.774917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.774917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.774917 (E_RNA) where: Base-Base interactions energy: -1411.154 where: short stacking energy: -632.920 Base-Backbone interact. energy: -1.312 local terms energy: -754.309158 where: bonds (distance) C4'-P energy: -150.980 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -114.669 tors. eta vs tors. theta energy: -174.378 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: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1792.066947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.066947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.066947 (E_RNA) where: Base-Base interactions energy: -1126.401 where: short stacking energy: -533.947 Base-Backbone interact. energy: -0.806 local terms energy: -664.859782 where: bonds (distance) C4'-P energy: -126.818 bonds (distance) P-C4' energy: -169.560 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -125.991 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: 9, replica: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1250.797724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.797724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.797724 (E_RNA) where: Base-Base interactions energy: -712.672 where: short stacking energy: -377.462 Base-Backbone interact. energy: 11.612 local terms energy: -549.738034 where: bonds (distance) C4'-P energy: -143.335 bonds (distance) P-C4' energy: -148.788 flat angles C4'-P-C4' energy: -142.927 flat angles P-C4'-P energy: -80.198 tors. eta vs tors. theta energy: -34.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -748.597589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.597589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.597589 (E_RNA) where: Base-Base interactions energy: -294.640 where: short stacking energy: -207.236 Base-Backbone interact. energy: 3.574 local terms energy: -457.532174 where: bonds (distance) C4'-P energy: -148.961 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -119.190 flat angles P-C4'-P energy: -63.486 tors. eta vs tors. theta energy: 25.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3148.668029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.668029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.668029 (E_RNA) where: Base-Base interactions energy: -2199.355 where: short stacking energy: -924.653 Base-Backbone interact. energy: -5.910 local terms energy: -943.403163 where: bonds (distance) C4'-P energy: -163.278 bonds (distance) P-C4' energy: -186.097 flat angles C4'-P-C4' energy: -191.687 flat angles P-C4'-P energy: -145.715 tors. eta vs tors. theta energy: -256.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -3004.608771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.608771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.608771 (E_RNA) where: Base-Base interactions energy: -2065.111 where: short stacking energy: -916.552 Base-Backbone interact. energy: -2.944 local terms energy: -936.553270 where: bonds (distance) C4'-P energy: -166.392 bonds (distance) P-C4' energy: -177.712 flat angles C4'-P-C4' energy: -205.063 flat angles P-C4'-P energy: -126.941 tors. eta vs tors. theta energy: -260.446 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: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2903.254640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.254640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.254640 (E_RNA) where: Base-Base interactions energy: -1963.839 where: short stacking energy: -855.453 Base-Backbone interact. energy: 0.422 local terms energy: -939.837220 where: bonds (distance) C4'-P energy: -173.511 bonds (distance) P-C4' energy: -178.941 flat angles C4'-P-C4' energy: -204.885 flat angles P-C4'-P energy: -135.298 tors. eta vs tors. theta energy: -247.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2750.744525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.744525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.744525 (E_RNA) where: Base-Base interactions energy: -1879.283 where: short stacking energy: -851.647 Base-Backbone interact. energy: 1.523 local terms energy: -872.984476 where: bonds (distance) C4'-P energy: -164.774 bonds (distance) P-C4' energy: -175.862 flat angles C4'-P-C4' energy: -185.120 flat angles P-C4'-P energy: -126.090 tors. eta vs tors. theta energy: -221.139 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: 5, replica: 1 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2552.952221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.952221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.952221 (E_RNA) where: Base-Base interactions energy: -1725.000 where: short stacking energy: -765.878 Base-Backbone interact. energy: -4.051 local terms energy: -823.901971 where: bonds (distance) C4'-P energy: -150.764 bonds (distance) P-C4' energy: -166.066 flat angles C4'-P-C4' energy: -176.513 flat angles P-C4'-P energy: -117.923 tors. eta vs tors. theta energy: -212.635 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: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2297.994902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.994902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.994902 (E_RNA) where: Base-Base interactions energy: -1557.698 where: short stacking energy: -664.501 Base-Backbone interact. energy: -1.175 local terms energy: -739.121889 where: bonds (distance) C4'-P energy: -130.385 bonds (distance) P-C4' energy: -174.228 flat angles C4'-P-C4' energy: -165.121 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -158.772 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: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2143.021572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.021572 (E_RNA) where: Base-Base interactions energy: -1436.132 where: short stacking energy: -581.039 Base-Backbone interact. energy: -1.784 local terms energy: -705.105673 where: bonds (distance) C4'-P energy: -134.771 bonds (distance) P-C4' energy: -170.923 flat angles C4'-P-C4' energy: -159.186 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -135.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1734.669909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.669909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.669909 (E_RNA) where: Base-Base interactions energy: -1085.192 where: short stacking energy: -481.473 Base-Backbone interact. energy: -2.294 local terms energy: -647.183299 where: bonds (distance) C4'-P energy: -142.904 bonds (distance) P-C4' energy: -166.852 flat angles C4'-P-C4' energy: -148.314 flat angles P-C4'-P energy: -91.570 tors. eta vs tors. theta energy: -97.544 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: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1276.307684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.307684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.307684 (E_RNA) where: Base-Base interactions energy: -751.822 where: short stacking energy: -400.808 Base-Backbone interact. energy: 4.578 local terms energy: -529.063328 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -146.705 flat angles C4'-P-C4' energy: -107.066 flat angles P-C4'-P energy: -86.490 tors. eta vs tors. theta energy: -46.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -830.779144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.779144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.779144 (E_RNA) where: Base-Base interactions energy: -339.215 where: short stacking energy: -239.229 Base-Backbone interact. energy: 0.787 local terms energy: -492.351695 where: bonds (distance) C4'-P energy: -136.994 bonds (distance) P-C4' energy: -135.924 flat angles C4'-P-C4' energy: -148.909 flat angles P-C4'-P energy: -78.719 tors. eta vs tors. theta energy: 8.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3161.156731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.156731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.156731 (E_RNA) where: Base-Base interactions energy: -2166.451 where: short stacking energy: -913.761 Base-Backbone interact. energy: -1.877 local terms energy: -992.829059 where: bonds (distance) C4'-P energy: -187.806 bonds (distance) P-C4' energy: -186.069 flat angles C4'-P-C4' energy: -209.925 flat angles P-C4'-P energy: -149.701 tors. eta vs tors. theta energy: -259.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2999.873658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.873658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.873658 (E_RNA) where: Base-Base interactions energy: -2073.710 where: short stacking energy: -930.920 Base-Backbone interact. energy: 5.774 local terms energy: -931.937226 where: bonds (distance) C4'-P energy: -161.873 bonds (distance) P-C4' energy: -165.284 flat angles C4'-P-C4' energy: -199.729 flat angles P-C4'-P energy: -129.547 tors. eta vs tors. theta energy: -275.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2929.279704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.279704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.279704 (E_RNA) where: Base-Base interactions energy: -1988.877 where: short stacking energy: -888.253 Base-Backbone interact. energy: -3.918 local terms energy: -936.484911 where: bonds (distance) C4'-P energy: -160.589 bonds (distance) P-C4' energy: -183.668 flat angles C4'-P-C4' energy: -203.423 flat angles P-C4'-P energy: -119.793 tors. eta vs tors. theta energy: -269.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2723.674015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.674015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.674015 (E_RNA) where: Base-Base interactions energy: -1837.901 where: short stacking energy: -812.063 Base-Backbone interact. energy: -3.389 local terms energy: -882.383708 where: bonds (distance) C4'-P energy: -166.409 bonds (distance) P-C4' energy: -173.284 flat angles C4'-P-C4' energy: -189.885 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -231.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2573.038146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.038146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.038146 (E_RNA) where: Base-Base interactions energy: -1769.211 where: short stacking energy: -773.401 Base-Backbone interact. energy: -0.112 local terms energy: -803.714896 where: bonds (distance) C4'-P energy: -156.891 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -181.730 flat angles P-C4'-P energy: -124.914 tors. eta vs tors. theta energy: -190.224 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: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2293.132406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.132406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.132406 (E_RNA) where: Base-Base interactions energy: -1537.913 where: short stacking energy: -655.801 Base-Backbone interact. energy: -2.212 local terms energy: -753.007465 where: bonds (distance) C4'-P energy: -137.020 bonds (distance) P-C4' energy: -173.558 flat angles C4'-P-C4' energy: -168.544 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -162.915 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: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2172.350005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.350005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.350005 (E_RNA) where: Base-Base interactions energy: -1441.459 where: short stacking energy: -635.630 Base-Backbone interact. energy: 0.276 local terms energy: -731.166960 where: bonds (distance) C4'-P energy: -157.753 bonds (distance) P-C4' energy: -166.012 flat angles C4'-P-C4' energy: -136.026 flat angles P-C4'-P energy: -104.584 tors. eta vs tors. theta energy: -166.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1872.753750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.753750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.753750 (E_RNA) where: Base-Base interactions energy: -1190.169 where: short stacking energy: -528.531 Base-Backbone interact. energy: -0.031 local terms energy: -682.553410 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -159.866 flat angles C4'-P-C4' energy: -168.583 flat angles P-C4'-P energy: -98.688 tors. eta vs tors. theta energy: -125.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1330.215578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.215578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.215578 (E_RNA) where: Base-Base interactions energy: -784.449 where: short stacking energy: -394.164 Base-Backbone interact. energy: 1.852 local terms energy: -547.618228 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -144.308 flat angles C4'-P-C4' energy: -134.055 flat angles P-C4'-P energy: -100.965 tors. eta vs tors. theta energy: -37.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -776.361784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.361784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.361784 (E_RNA) where: Base-Base interactions energy: -305.802 where: short stacking energy: -208.859 Base-Backbone interact. energy: -2.995 local terms energy: -467.564742 where: bonds (distance) C4'-P energy: -158.760 bonds (distance) P-C4' energy: -120.895 flat angles C4'-P-C4' energy: -122.545 flat angles P-C4'-P energy: -88.816 tors. eta vs tors. theta energy: 23.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3126.070026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.070026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.070026 (E_RNA) where: Base-Base interactions energy: -2145.437 where: short stacking energy: -919.345 Base-Backbone interact. energy: -2.888 local terms energy: -977.744514 where: bonds (distance) C4'-P energy: -174.728 bonds (distance) P-C4' energy: -189.546 flat angles C4'-P-C4' energy: -198.085 flat angles P-C4'-P energy: -145.648 tors. eta vs tors. theta energy: -269.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3021.579533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.579533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.579533 (E_RNA) where: Base-Base interactions energy: -2082.732 where: short stacking energy: -893.565 Base-Backbone interact. energy: -2.318 local terms energy: -936.529476 where: bonds (distance) C4'-P energy: -163.910 bonds (distance) P-C4' energy: -174.747 flat angles C4'-P-C4' energy: -184.068 flat angles P-C4'-P energy: -144.795 tors. eta vs tors. theta energy: -269.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2932.378184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.378184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.378184 (E_RNA) where: Base-Base interactions energy: -1985.603 where: short stacking energy: -895.615 Base-Backbone interact. energy: -1.580 local terms energy: -945.195684 where: bonds (distance) C4'-P energy: -172.109 bonds (distance) P-C4' energy: -184.722 flat angles C4'-P-C4' energy: -195.944 flat angles P-C4'-P energy: -126.332 tors. eta vs tors. theta energy: -266.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2750.150770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.150770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.150770 (E_RNA) where: Base-Base interactions energy: -1920.588 where: short stacking energy: -838.347 Base-Backbone interact. energy: -1.595 local terms energy: -827.967855 where: bonds (distance) C4'-P energy: -162.323 bonds (distance) P-C4' energy: -151.691 flat angles C4'-P-C4' energy: -178.437 flat angles P-C4'-P energy: -123.340 tors. eta vs tors. theta energy: -212.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2568.233851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.233851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.233851 (E_RNA) where: Base-Base interactions energy: -1734.171 where: short stacking energy: -762.851 Base-Backbone interact. energy: -2.585 local terms energy: -831.477477 where: bonds (distance) C4'-P energy: -149.846 bonds (distance) P-C4' energy: -153.876 flat angles C4'-P-C4' energy: -202.929 flat angles P-C4'-P energy: -116.145 tors. eta vs tors. theta energy: -208.681 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: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2306.342537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.342537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.342537 (E_RNA) where: Base-Base interactions energy: -1519.479 where: short stacking energy: -700.772 Base-Backbone interact. energy: 1.405 local terms energy: -788.269306 where: bonds (distance) C4'-P energy: -159.457 bonds (distance) P-C4' energy: -145.987 flat angles C4'-P-C4' energy: -187.935 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -172.277 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: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2179.919480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.919480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.919480 (E_RNA) where: Base-Base interactions energy: -1437.901 where: short stacking energy: -665.719 Base-Backbone interact. energy: 0.184 local terms energy: -742.202565 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -171.402 flat angles C4'-P-C4' energy: -152.667 flat angles P-C4'-P energy: -113.893 tors. eta vs tors. theta energy: -179.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1853.478756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.478756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.478756 (E_RNA) where: Base-Base interactions energy: -1208.098 where: short stacking energy: -515.546 Base-Backbone interact. energy: 5.094 local terms energy: -650.474735 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -139.682 flat angles C4'-P-C4' energy: -152.955 flat angles P-C4'-P energy: -101.340 tors. eta vs tors. theta energy: -115.603 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: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1290.260412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.260412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.260412 (E_RNA) where: Base-Base interactions energy: -764.378 where: short stacking energy: -394.169 Base-Backbone interact. energy: 0.541 local terms energy: -526.423602 where: bonds (distance) C4'-P energy: -146.494 bonds (distance) P-C4' energy: -129.601 flat angles C4'-P-C4' energy: -128.521 flat angles P-C4'-P energy: -65.304 tors. eta vs tors. theta energy: -56.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -794.468273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.468273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.468273 (E_RNA) where: Base-Base interactions energy: -348.001 where: short stacking energy: -211.384 Base-Backbone interact. energy: 7.822 local terms energy: -454.288735 where: bonds (distance) C4'-P energy: -132.394 bonds (distance) P-C4' energy: -153.540 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -71.871 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: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3138.755011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.755011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.755011 (E_RNA) where: Base-Base interactions energy: -2171.185 where: short stacking energy: -940.147 Base-Backbone interact. energy: -7.258 local terms energy: -960.312212 where: bonds (distance) C4'-P energy: -174.228 bonds (distance) P-C4' energy: -187.650 flat angles C4'-P-C4' energy: -204.017 flat angles P-C4'-P energy: -136.501 tors. eta vs tors. theta energy: -257.916 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: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2997.528051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.528051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.528051 (E_RNA) where: Base-Base interactions energy: -2089.891 where: short stacking energy: -923.321 Base-Backbone interact. energy: -2.853 local terms energy: -904.784463 where: bonds (distance) C4'-P energy: -141.404 bonds (distance) P-C4' energy: -163.774 flat angles C4'-P-C4' energy: -183.820 flat angles P-C4'-P energy: -146.003 tors. eta vs tors. theta energy: -269.784 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: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2906.798379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.798379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.798379 (E_RNA) where: Base-Base interactions energy: -1985.698 where: short stacking energy: -886.108 Base-Backbone interact. energy: 0.601 local terms energy: -921.701337 where: bonds (distance) C4'-P energy: -156.976 bonds (distance) P-C4' energy: -170.747 flat angles C4'-P-C4' energy: -199.032 flat angles P-C4'-P energy: -130.547 tors. eta vs tors. theta energy: -264.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2751.468006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.468006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.468006 (E_RNA) where: Base-Base interactions energy: -1862.683 where: short stacking energy: -816.687 Base-Backbone interact. energy: 4.817 local terms energy: -893.601996 where: bonds (distance) C4'-P energy: -169.543 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -189.820 flat angles P-C4'-P energy: -141.680 tors. eta vs tors. theta energy: -225.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2640.490841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.490841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.490841 (E_RNA) where: Base-Base interactions energy: -1821.740 where: short stacking energy: -840.244 Base-Backbone interact. energy: 6.935 local terms energy: -825.686553 where: bonds (distance) C4'-P energy: -158.011 bonds (distance) P-C4' energy: -149.151 flat angles C4'-P-C4' energy: -173.457 flat angles P-C4'-P energy: -116.468 tors. eta vs tors. theta energy: -228.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2366.419177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.419177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.419177 (E_RNA) where: Base-Base interactions energy: -1606.981 where: short stacking energy: -717.103 Base-Backbone interact. energy: 0.463 local terms energy: -759.901195 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -174.354 flat angles P-C4'-P energy: -111.933 tors. eta vs tors. theta energy: -182.830 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: 2 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2222.686151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.686151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.686151 (E_RNA) where: Base-Base interactions energy: -1491.910 where: short stacking energy: -658.337 Base-Backbone interact. energy: -3.128 local terms energy: -727.647899 where: bonds (distance) C4'-P energy: -143.844 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -165.895 flat angles P-C4'-P energy: -109.393 tors. eta vs tors. theta energy: -155.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1778.584338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.584338 (E_RNA) where: Base-Base interactions energy: -1156.479 where: short stacking energy: -535.419 Base-Backbone interact. energy: -1.433 local terms energy: -620.671724 where: bonds (distance) C4'-P energy: -129.040 bonds (distance) P-C4' energy: -139.799 flat angles C4'-P-C4' energy: -160.415 flat angles P-C4'-P energy: -80.767 tors. eta vs tors. theta energy: -110.651 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: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1328.461847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.461847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.461847 (E_RNA) where: Base-Base interactions energy: -769.886 where: short stacking energy: -342.389 Base-Backbone interact. energy: -2.582 local terms energy: -555.994563 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -169.178 flat angles C4'-P-C4' energy: -150.301 flat angles P-C4'-P energy: -77.500 tors. eta vs tors. theta energy: -25.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -783.524721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.524721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.524721 (E_RNA) where: Base-Base interactions energy: -353.822 where: short stacking energy: -232.749 Base-Backbone interact. energy: 3.569 local terms energy: -433.271793 where: bonds (distance) C4'-P energy: -119.241 bonds (distance) P-C4' energy: -125.790 flat angles C4'-P-C4' energy: -132.098 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: 14.247 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: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3124.741591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.741591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.741591 (E_RNA) where: Base-Base interactions energy: -2187.248 where: short stacking energy: -943.989 Base-Backbone interact. energy: -3.085 local terms energy: -934.407646 where: bonds (distance) C4'-P energy: -162.216 bonds (distance) P-C4' energy: -173.758 flat angles C4'-P-C4' energy: -191.737 flat angles P-C4'-P energy: -145.475 tors. eta vs tors. theta energy: -261.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3005.121001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.121001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.121001 (E_RNA) where: Base-Base interactions energy: -2056.867 where: short stacking energy: -884.192 Base-Backbone interact. energy: 2.484 local terms energy: -950.738049 where: bonds (distance) C4'-P energy: -174.899 bonds (distance) P-C4' energy: -192.112 flat angles C4'-P-C4' energy: -183.426 flat angles P-C4'-P energy: -134.250 tors. eta vs tors. theta energy: -266.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2917.806270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.806270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.806270 (E_RNA) where: Base-Base interactions energy: -1987.435 where: short stacking energy: -888.096 Base-Backbone interact. energy: -1.238 local terms energy: -929.133688 where: bonds (distance) C4'-P energy: -161.260 bonds (distance) P-C4' energy: -181.943 flat angles C4'-P-C4' energy: -195.776 flat angles P-C4'-P energy: -122.549 tors. eta vs tors. theta energy: -267.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2756.157762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.157762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.157762 (E_RNA) where: Base-Base interactions energy: -1929.626 where: short stacking energy: -830.677 Base-Backbone interact. energy: 1.093 local terms energy: -827.623955 where: bonds (distance) C4'-P energy: -141.953 bonds (distance) P-C4' energy: -161.360 flat angles C4'-P-C4' energy: -175.747 flat angles P-C4'-P energy: -124.792 tors. eta vs tors. theta energy: -223.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2591.764968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.764968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.764968 (E_RNA) where: Base-Base interactions energy: -1764.375 where: short stacking energy: -797.003 Base-Backbone interact. energy: -0.170 local terms energy: -827.219552 where: bonds (distance) C4'-P energy: -173.393 bonds (distance) P-C4' energy: -142.430 flat angles C4'-P-C4' energy: -186.598 flat angles P-C4'-P energy: -105.747 tors. eta vs tors. theta energy: -219.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2339.145009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.145009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.145009 (E_RNA) where: Base-Base interactions energy: -1556.938 where: short stacking energy: -688.271 Base-Backbone interact. energy: -4.056 local terms energy: -778.150638 where: bonds (distance) C4'-P energy: -168.027 bonds (distance) P-C4' energy: -162.734 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -106.295 tors. eta vs tors. theta energy: -175.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2187.858647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.858647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.858647 (E_RNA) where: Base-Base interactions energy: -1463.213 where: short stacking energy: -609.673 Base-Backbone interact. energy: -3.434 local terms energy: -721.211162 where: bonds (distance) C4'-P energy: -155.545 bonds (distance) P-C4' energy: -158.009 flat angles C4'-P-C4' energy: -156.285 flat angles P-C4'-P energy: -103.770 tors. eta vs tors. theta energy: -147.602 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: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1863.801861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.801861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.801861 (E_RNA) where: Base-Base interactions energy: -1228.826 where: short stacking energy: -537.500 Base-Backbone interact. energy: -0.069 local terms energy: -634.906854 where: bonds (distance) C4'-P energy: -148.709 bonds (distance) P-C4' energy: -144.718 flat angles C4'-P-C4' energy: -150.645 flat angles P-C4'-P energy: -81.985 tors. eta vs tors. theta energy: -108.849 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: 6 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1255.674465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.674465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.674465 (E_RNA) where: Base-Base interactions energy: -690.821 where: short stacking energy: -334.844 Base-Backbone interact. energy: 0.844 local terms energy: -565.698072 where: bonds (distance) C4'-P energy: -154.943 bonds (distance) P-C4' energy: -149.177 flat angles C4'-P-C4' energy: -136.500 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -32.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -773.290157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.290157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.290157 (E_RNA) where: Base-Base interactions energy: -358.118 where: short stacking energy: -228.353 Base-Backbone interact. energy: 3.338 local terms energy: -418.509923 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -141.631 flat angles C4'-P-C4' energy: -78.986 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: 16.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3174.285090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.285090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.285090 (E_RNA) where: Base-Base interactions energy: -2175.321 where: short stacking energy: -955.623 Base-Backbone interact. energy: -4.287 local terms energy: -994.676971 where: bonds (distance) C4'-P energy: -185.257 bonds (distance) P-C4' energy: -184.286 flat angles C4'-P-C4' energy: -202.917 flat angles P-C4'-P energy: -143.399 tors. eta vs tors. theta energy: -278.818 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: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2975.691401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.691401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.691401 (E_RNA) where: Base-Base interactions energy: -1987.623 where: short stacking energy: -917.164 Base-Backbone interact. energy: 0.307 local terms energy: -988.375317 where: bonds (distance) C4'-P energy: -177.851 bonds (distance) P-C4' energy: -178.883 flat angles C4'-P-C4' energy: -217.556 flat angles P-C4'-P energy: -144.776 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: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2958.597143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.597143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.597143 (E_RNA) where: Base-Base interactions energy: -2036.144 where: short stacking energy: -911.525 Base-Backbone interact. energy: 3.468 local terms energy: -925.920954 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -168.116 flat angles C4'-P-C4' energy: -203.621 flat angles P-C4'-P energy: -132.916 tors. eta vs tors. theta energy: -268.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2790.798523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.798523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.798523 (E_RNA) where: Base-Base interactions energy: -1944.069 where: short stacking energy: -840.964 Base-Backbone interact. energy: -1.040 local terms energy: -845.688598 where: bonds (distance) C4'-P energy: -159.817 bonds (distance) P-C4' energy: -158.485 flat angles C4'-P-C4' energy: -178.320 flat angles P-C4'-P energy: -120.499 tors. eta vs tors. theta energy: -228.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2575.678348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.678348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.678348 (E_RNA) where: Base-Base interactions energy: -1721.117 where: short stacking energy: -773.239 Base-Backbone interact. energy: -3.539 local terms energy: -851.022074 where: bonds (distance) C4'-P energy: -168.175 bonds (distance) P-C4' energy: -176.756 flat angles C4'-P-C4' energy: -185.876 flat angles P-C4'-P energy: -123.956 tors. eta vs tors. theta energy: -196.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2348.627328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.627328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.627328 (E_RNA) where: Base-Base interactions energy: -1568.077 where: short stacking energy: -716.736 Base-Backbone interact. energy: -1.676 local terms energy: -778.873982 where: bonds (distance) C4'-P energy: -137.143 bonds (distance) P-C4' energy: -162.897 flat angles C4'-P-C4' energy: -172.592 flat angles P-C4'-P energy: -122.832 tors. eta vs tors. theta energy: -183.410 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: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2190.285705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.285705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.285705 (E_RNA) where: Base-Base interactions energy: -1479.627 where: short stacking energy: -644.372 Base-Backbone interact. energy: 0.231 local terms energy: -710.889570 where: bonds (distance) C4'-P energy: -133.062 bonds (distance) P-C4' energy: -142.094 flat angles C4'-P-C4' energy: -165.744 flat angles P-C4'-P energy: -104.115 tors. eta vs tors. theta energy: -165.874 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: 10 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1872.109415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.109415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.109415 (E_RNA) where: Base-Base interactions energy: -1189.653 where: short stacking energy: -579.447 Base-Backbone interact. energy: -2.705 local terms energy: -679.750812 where: bonds (distance) C4'-P energy: -163.391 bonds (distance) P-C4' energy: -135.900 flat angles C4'-P-C4' energy: -152.540 flat angles P-C4'-P energy: -90.415 tors. eta vs tors. theta energy: -137.505 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: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1255.667602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.667602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.667602 (E_RNA) where: Base-Base interactions energy: -737.381 where: short stacking energy: -387.563 Base-Backbone interact. energy: 0.297 local terms energy: -518.583908 where: bonds (distance) C4'-P energy: -124.479 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -121.034 flat angles P-C4'-P energy: -76.623 tors. eta vs tors. theta energy: -49.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -774.219487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.219487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.219487 (E_RNA) where: Base-Base interactions energy: -279.881 where: short stacking energy: -197.183 Base-Backbone interact. energy: -4.670 local terms energy: -489.668754 where: bonds (distance) C4'-P energy: -156.800 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -147.171 flat angles P-C4'-P energy: -65.782 tors. eta vs tors. theta energy: 33.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3191.434733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.434733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.434733 (E_RNA) where: Base-Base interactions energy: -2208.792 where: short stacking energy: -963.404 Base-Backbone interact. energy: -2.502 local terms energy: -980.140878 where: bonds (distance) C4'-P energy: -182.413 bonds (distance) P-C4' energy: -169.135 flat angles C4'-P-C4' energy: -216.406 flat angles P-C4'-P energy: -142.628 tors. eta vs tors. theta energy: -269.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3009.856446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.856446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.856446 (E_RNA) where: Base-Base interactions energy: -2061.394 where: short stacking energy: -936.506 Base-Backbone interact. energy: -2.185 local terms energy: -946.277495 where: bonds (distance) C4'-P energy: -164.386 bonds (distance) P-C4' energy: -176.736 flat angles C4'-P-C4' energy: -194.091 flat angles P-C4'-P energy: -135.066 tors. eta vs tors. theta energy: -275.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2932.976071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.976071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.976071 (E_RNA) where: Base-Base interactions energy: -2007.692 where: short stacking energy: -881.236 Base-Backbone interact. energy: 0.095 local terms energy: -925.378759 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -175.097 flat angles C4'-P-C4' energy: -191.091 flat angles P-C4'-P energy: -128.527 tors. eta vs tors. theta energy: -266.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2785.561776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.561776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.561776 (E_RNA) where: Base-Base interactions energy: -1910.571 where: short stacking energy: -819.680 Base-Backbone interact. energy: 3.101 local terms energy: -878.091929 where: bonds (distance) C4'-P energy: -154.557 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -193.681 flat angles P-C4'-P energy: -131.001 tors. eta vs tors. theta energy: -233.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2659.908877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.908877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.908877 (E_RNA) where: Base-Base interactions energy: -1788.691 where: short stacking energy: -779.779 Base-Backbone interact. energy: 0.073 local terms energy: -871.290637 where: bonds (distance) C4'-P energy: -168.602 bonds (distance) P-C4' energy: -181.941 flat angles C4'-P-C4' energy: -185.612 flat angles P-C4'-P energy: -111.722 tors. eta vs tors. theta energy: -223.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2331.480199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.480199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.480199 (E_RNA) where: Base-Base interactions energy: -1579.892 where: short stacking energy: -681.013 Base-Backbone interact. energy: -2.677 local terms energy: -748.911399 where: bonds (distance) C4'-P energy: -149.101 bonds (distance) P-C4' energy: -158.447 flat angles C4'-P-C4' energy: -174.061 flat angles P-C4'-P energy: -93.871 tors. eta vs tors. theta energy: -173.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2223.397151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.397151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.397151 (E_RNA) where: Base-Base interactions energy: -1496.196 where: short stacking energy: -640.023 Base-Backbone interact. energy: -2.181 local terms energy: -725.020713 where: bonds (distance) C4'-P energy: -144.202 bonds (distance) P-C4' energy: -149.621 flat angles C4'-P-C4' energy: -174.478 flat angles P-C4'-P energy: -105.843 tors. eta vs tors. theta energy: -150.877 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: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1852.764412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.764412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.764412 (E_RNA) where: Base-Base interactions energy: -1225.057 where: short stacking energy: -586.914 Base-Backbone interact. energy: 3.694 local terms energy: -631.401158 where: bonds (distance) C4'-P energy: -120.747 bonds (distance) P-C4' energy: -145.010 flat angles C4'-P-C4' energy: -143.373 flat angles P-C4'-P energy: -92.271 tors. eta vs tors. theta energy: -130.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1164.455261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.455261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.455261 (E_RNA) where: Base-Base interactions energy: -633.819 where: short stacking energy: -330.092 Base-Backbone interact. energy: 1.578 local terms energy: -532.213864 where: bonds (distance) C4'-P energy: -141.276 bonds (distance) P-C4' energy: -156.357 flat angles C4'-P-C4' energy: -137.738 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -25.331 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: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -743.641147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.641147 (E_RNA) where: Base-Base interactions energy: -284.468 where: short stacking energy: -200.186 Base-Backbone interact. energy: -2.704 local terms energy: -456.469283 where: bonds (distance) C4'-P energy: -147.222 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -86.106 tors. eta vs tors. theta energy: 22.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3173.670741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.670741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.670741 (E_RNA) where: Base-Base interactions energy: -2198.048 where: short stacking energy: -957.745 Base-Backbone interact. energy: -0.728 local terms energy: -974.893912 where: bonds (distance) C4'-P energy: -184.158 bonds (distance) P-C4' energy: -166.821 flat angles C4'-P-C4' energy: -198.935 flat angles P-C4'-P energy: -140.926 tors. eta vs tors. theta energy: -284.054 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: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2987.476694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.476694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.476694 (E_RNA) where: Base-Base interactions energy: -2035.003 where: short stacking energy: -892.577 Base-Backbone interact. energy: -4.249 local terms energy: -948.224458 where: bonds (distance) C4'-P energy: -164.179 bonds (distance) P-C4' energy: -189.813 flat angles C4'-P-C4' energy: -205.617 flat angles P-C4'-P energy: -129.962 tors. eta vs tors. theta energy: -258.653 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: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2911.668932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.668932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.668932 (E_RNA) where: Base-Base interactions energy: -2020.957 where: short stacking energy: -891.730 Base-Backbone interact. energy: -2.584 local terms energy: -888.128284 where: bonds (distance) C4'-P energy: -155.239 bonds (distance) P-C4' energy: -166.548 flat angles C4'-P-C4' energy: -193.121 flat angles P-C4'-P energy: -116.534 tors. eta vs tors. theta energy: -256.686 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: 497 Temperature: 1.050000 Total energy: -2793.367101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.367101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.367101 (E_RNA) where: Base-Base interactions energy: -1905.358 where: short stacking energy: -837.462 Base-Backbone interact. energy: 0.380 local terms energy: -888.389150 where: bonds (distance) C4'-P energy: -170.069 bonds (distance) P-C4' energy: -166.873 flat angles C4'-P-C4' energy: -194.055 flat angles P-C4'-P energy: -123.070 tors. eta vs tors. theta energy: -234.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2644.458712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.458712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.458712 (E_RNA) where: Base-Base interactions energy: -1767.104 where: short stacking energy: -772.081 Base-Backbone interact. energy: -2.260 local terms energy: -875.095622 where: bonds (distance) C4'-P energy: -158.529 bonds (distance) P-C4' energy: -178.744 flat angles C4'-P-C4' energy: -169.243 flat angles P-C4'-P energy: -126.956 tors. eta vs tors. theta energy: -241.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2431.947015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.947015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.947015 (E_RNA) where: Base-Base interactions energy: -1634.438 where: short stacking energy: -699.966 Base-Backbone interact. energy: -3.054 local terms energy: -794.455506 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -181.764 flat angles P-C4'-P energy: -120.289 tors. eta vs tors. theta energy: -201.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2122.337893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.337893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.337893 (E_RNA) where: Base-Base interactions energy: -1426.307 where: short stacking energy: -619.033 Base-Backbone interact. energy: -2.205 local terms energy: -693.826344 where: bonds (distance) C4'-P energy: -148.910 bonds (distance) P-C4' energy: -152.136 flat angles C4'-P-C4' energy: -148.426 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -139.096 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: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1868.045171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.045171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.045171 (E_RNA) where: Base-Base interactions energy: -1168.818 where: short stacking energy: -571.920 Base-Backbone interact. energy: -1.813 local terms energy: -697.414762 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -163.585 flat angles C4'-P-C4' energy: -145.941 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -125.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1168.460539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.460539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.460539 (E_RNA) where: Base-Base interactions energy: -639.996 where: short stacking energy: -348.365 Base-Backbone interact. energy: 12.664 local terms energy: -541.128467 where: bonds (distance) C4'-P energy: -140.156 bonds (distance) P-C4' energy: -167.016 flat angles C4'-P-C4' energy: -139.133 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -20.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -881.982096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.982096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.982096 (E_RNA) where: Base-Base interactions energy: -418.307 where: short stacking energy: -233.468 Base-Backbone interact. energy: -3.584 local terms energy: -460.090135 where: bonds (distance) C4'-P energy: -129.153 bonds (distance) P-C4' energy: -141.266 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -73.607 tors. eta vs tors. theta energy: 28.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3152.355892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.355892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.355892 (E_RNA) where: Base-Base interactions energy: -2180.512 where: short stacking energy: -944.241 Base-Backbone interact. energy: -0.996 local terms energy: -970.847009 where: bonds (distance) C4'-P energy: -169.199 bonds (distance) P-C4' energy: -170.825 flat angles C4'-P-C4' energy: -213.720 flat angles P-C4'-P energy: -140.429 tors. eta vs tors. theta energy: -276.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2999.374575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.374575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.374575 (E_RNA) where: Base-Base interactions energy: -2063.553 where: short stacking energy: -934.251 Base-Backbone interact. energy: -2.396 local terms energy: -933.426015 where: bonds (distance) C4'-P energy: -158.446 bonds (distance) P-C4' energy: -160.869 flat angles C4'-P-C4' energy: -212.126 flat angles P-C4'-P energy: -133.079 tors. eta vs tors. theta energy: -268.907 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: 3, replica: 7 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2885.409744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.409744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.409744 (E_RNA) where: Base-Base interactions energy: -1984.823 where: short stacking energy: -881.138 Base-Backbone interact. energy: -0.544 local terms energy: -900.042895 where: bonds (distance) C4'-P energy: -162.262 bonds (distance) P-C4' energy: -149.871 flat angles C4'-P-C4' energy: -192.662 flat angles P-C4'-P energy: -140.996 tors. eta vs tors. theta energy: -254.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2752.110783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.110783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.110783 (E_RNA) where: Base-Base interactions energy: -1870.849 where: short stacking energy: -794.491 Base-Backbone interact. energy: -2.622 local terms energy: -878.640376 where: bonds (distance) C4'-P energy: -163.203 bonds (distance) P-C4' energy: -177.174 flat angles C4'-P-C4' energy: -184.287 flat angles P-C4'-P energy: -130.035 tors. eta vs tors. theta energy: -223.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2568.128321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.128321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.128321 (E_RNA) where: Base-Base interactions energy: -1737.402 where: short stacking energy: -743.191 Base-Backbone interact. energy: 4.894 local terms energy: -835.620340 where: bonds (distance) C4'-P energy: -180.308 bonds (distance) P-C4' energy: -153.228 flat angles C4'-P-C4' energy: -166.848 flat angles P-C4'-P energy: -131.786 tors. eta vs tors. theta energy: -203.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2403.017336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.017336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.017336 (E_RNA) where: Base-Base interactions energy: -1595.671 where: short stacking energy: -698.467 Base-Backbone interact. energy: -4.365 local terms energy: -802.981459 where: bonds (distance) C4'-P energy: -165.247 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -167.242 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -199.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2178.350651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.350651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.350651 (E_RNA) where: Base-Base interactions energy: -1466.905 where: short stacking energy: -651.985 Base-Backbone interact. energy: 1.237 local terms energy: -712.683327 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -159.064 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -164.057 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: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1846.669572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.669572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.669572 (E_RNA) where: Base-Base interactions energy: -1198.442 where: short stacking energy: -580.616 Base-Backbone interact. energy: -0.639 local terms energy: -647.588247 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -142.547 flat angles C4'-P-C4' energy: -140.955 flat angles P-C4'-P energy: -91.634 tors. eta vs tors. theta energy: -135.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1138.815484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.815484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.815484 (E_RNA) where: Base-Base interactions energy: -634.506 where: short stacking energy: -333.590 Base-Backbone interact. energy: 4.496 local terms energy: -508.805437 where: bonds (distance) C4'-P energy: -130.960 bonds (distance) P-C4' energy: -139.832 flat angles C4'-P-C4' energy: -141.921 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -17.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -901.289961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.289961 (E_RNA) where: Base-Base interactions energy: -432.097 where: short stacking energy: -245.201 Base-Backbone interact. energy: 4.761 local terms energy: -473.953211 where: bonds (distance) C4'-P energy: -133.971 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -136.227 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: 18.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3170.410428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.410428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.410428 (E_RNA) where: Base-Base interactions energy: -2180.800 where: short stacking energy: -958.835 Base-Backbone interact. energy: -4.553 local terms energy: -985.057824 where: bonds (distance) C4'-P energy: -168.807 bonds (distance) P-C4' energy: -178.508 flat angles C4'-P-C4' energy: -209.875 flat angles P-C4'-P energy: -148.570 tors. eta vs tors. theta energy: -279.297 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: 2, replica: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -3010.990164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.990164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.990164 (E_RNA) where: Base-Base interactions energy: -2060.983 where: short stacking energy: -892.524 Base-Backbone interact. energy: -2.308 local terms energy: -947.698681 where: bonds (distance) C4'-P energy: -181.377 bonds (distance) P-C4' energy: -173.247 flat angles C4'-P-C4' energy: -186.960 flat angles P-C4'-P energy: -134.402 tors. eta vs tors. theta energy: -271.712 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: 7 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2899.277887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.277887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.277887 (E_RNA) where: Base-Base interactions energy: -2006.107 where: short stacking energy: -913.697 Base-Backbone interact. energy: -3.546 local terms energy: -889.625143 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -160.384 flat angles C4'-P-C4' energy: -185.934 flat angles P-C4'-P energy: -135.674 tors. eta vs tors. theta energy: -259.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2707.051579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.051579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.051579 (E_RNA) where: Base-Base interactions energy: -1851.242 where: short stacking energy: -824.846 Base-Backbone interact. energy: 2.252 local terms energy: -858.061896 where: bonds (distance) C4'-P energy: -176.496 bonds (distance) P-C4' energy: -160.771 flat angles C4'-P-C4' energy: -175.134 flat angles P-C4'-P energy: -118.679 tors. eta vs tors. theta energy: -226.982 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: 499 Temperature: 1.100000 Total energy: -2544.903638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.903638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.903638 (E_RNA) where: Base-Base interactions energy: -1707.571 where: short stacking energy: -754.806 Base-Backbone interact. energy: 0.641 local terms energy: -837.973797 where: bonds (distance) C4'-P energy: -158.369 bonds (distance) P-C4' energy: -162.350 flat angles C4'-P-C4' energy: -179.108 flat angles P-C4'-P energy: -130.061 tors. eta vs tors. theta energy: -208.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2305.951575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.951575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.951575 (E_RNA) where: Base-Base interactions energy: -1549.859 where: short stacking energy: -705.616 Base-Backbone interact. energy: -2.140 local terms energy: -753.952641 where: bonds (distance) C4'-P energy: -138.980 bonds (distance) P-C4' energy: -144.156 flat angles C4'-P-C4' energy: -178.495 flat angles P-C4'-P energy: -110.489 tors. eta vs tors. theta energy: -181.833 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: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2155.400774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.400774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.400774 (E_RNA) where: Base-Base interactions energy: -1456.913 where: short stacking energy: -653.605 Base-Backbone interact. energy: -1.198 local terms energy: -697.290348 where: bonds (distance) C4'-P energy: -140.382 bonds (distance) P-C4' energy: -150.293 flat angles C4'-P-C4' energy: -163.237 flat angles P-C4'-P energy: -98.361 tors. eta vs tors. theta energy: -145.018 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: 8, replica: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1826.216364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.216364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.216364 (E_RNA) where: Base-Base interactions energy: -1212.013 where: short stacking energy: -584.173 Base-Backbone interact. energy: -0.727 local terms energy: -613.476631 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -125.172 flat angles C4'-P-C4' energy: -151.022 flat angles P-C4'-P energy: -86.999 tors. eta vs tors. theta energy: -115.797 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: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1107.695321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.695321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.695321 (E_RNA) where: Base-Base interactions energy: -590.106 where: short stacking energy: -312.683 Base-Backbone interact. energy: -0.162 local terms energy: -517.427390 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -143.199 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -13.795 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: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -849.852577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.852577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.852577 (E_RNA) where: Base-Base interactions energy: -404.818 where: short stacking energy: -260.688 Base-Backbone interact. energy: 1.147 local terms energy: -446.181475 where: bonds (distance) C4'-P energy: -141.775 bonds (distance) P-C4' energy: -126.182 flat angles C4'-P-C4' energy: -111.433 flat angles P-C4'-P energy: -79.898 tors. eta vs tors. theta energy: 13.106 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: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3132.905320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.905320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.905320 (E_RNA) where: Base-Base interactions energy: -2158.350 where: short stacking energy: -932.180 Base-Backbone interact. energy: -4.145 local terms energy: -970.410474 where: bonds (distance) C4'-P energy: -178.173 bonds (distance) P-C4' energy: -178.253 flat angles C4'-P-C4' energy: -202.380 flat angles P-C4'-P energy: -140.211 tors. eta vs tors. theta energy: -271.393 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: 2, replica: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -3010.508836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.508836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.508836 (E_RNA) where: Base-Base interactions energy: -2048.545 where: short stacking energy: -919.812 Base-Backbone interact. energy: 1.044 local terms energy: -963.008053 where: bonds (distance) C4'-P energy: -193.888 bonds (distance) P-C4' energy: -181.956 flat angles C4'-P-C4' energy: -196.259 flat angles P-C4'-P energy: -127.913 tors. eta vs tors. theta energy: -262.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2853.693064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.693064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.693064 (E_RNA) where: Base-Base interactions energy: -1951.122 where: short stacking energy: -891.372 Base-Backbone interact. energy: 0.973 local terms energy: -903.544295 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -162.784 flat angles C4'-P-C4' energy: -189.577 flat angles P-C4'-P energy: -130.249 tors. eta vs tors. theta energy: -259.618 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: 500 Temperature: 1.050000 Total energy: -2736.612212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.612212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.612212 (E_RNA) where: Base-Base interactions energy: -1885.076 where: short stacking energy: -842.298 Base-Backbone interact. energy: 0.608 local terms energy: -852.144684 where: bonds (distance) C4'-P energy: -170.700 bonds (distance) P-C4' energy: -143.672 flat angles C4'-P-C4' energy: -191.902 flat angles P-C4'-P energy: -123.619 tors. eta vs tors. theta energy: -222.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2568.672363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.672363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.672363 (E_RNA) where: Base-Base interactions energy: -1745.814 where: short stacking energy: -764.861 Base-Backbone interact. energy: 6.500 local terms energy: -829.358127 where: bonds (distance) C4'-P energy: -141.144 bonds (distance) P-C4' energy: -143.898 flat angles C4'-P-C4' energy: -188.937 flat angles P-C4'-P energy: -138.917 tors. eta vs tors. theta energy: -216.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2370.460111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.460111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.460111 (E_RNA) where: Base-Base interactions energy: -1624.929 where: short stacking energy: -716.858 Base-Backbone interact. energy: -3.239 local terms energy: -742.292811 where: bonds (distance) C4'-P energy: -159.383 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -153.086 flat angles P-C4'-P energy: -92.695 tors. eta vs tors. theta energy: -190.946 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: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2114.661837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.661837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.661837 (E_RNA) where: Base-Base interactions energy: -1415.508 where: short stacking energy: -619.464 Base-Backbone interact. energy: 2.199 local terms energy: -701.352741 where: bonds (distance) C4'-P energy: -153.315 bonds (distance) P-C4' energy: -145.692 flat angles C4'-P-C4' energy: -165.105 flat angles P-C4'-P energy: -91.932 tors. eta vs tors. theta energy: -145.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1710.285333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.285333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.285333 (E_RNA) where: Base-Base interactions energy: -1071.859 where: short stacking energy: -478.843 Base-Backbone interact. energy: -3.519 local terms energy: -634.907209 where: bonds (distance) C4'-P energy: -146.167 bonds (distance) P-C4' energy: -142.883 flat angles C4'-P-C4' energy: -151.569 flat angles P-C4'-P energy: -88.272 tors. eta vs tors. theta energy: -106.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1150.067461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.067461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.067461 (E_RNA) where: Base-Base interactions energy: -617.495 where: short stacking energy: -326.694 Base-Backbone interact. energy: 0.556 local terms energy: -533.128742 where: bonds (distance) C4'-P energy: -149.697 bonds (distance) P-C4' energy: -160.758 flat angles C4'-P-C4' energy: -137.511 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -20.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -784.583250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.583250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.583250 (E_RNA) where: Base-Base interactions energy: -300.197 where: short stacking energy: -214.213 Base-Backbone interact. energy: -2.797 local terms energy: -481.588732 where: bonds (distance) C4'-P energy: -136.457 bonds (distance) P-C4' energy: -161.184 flat angles C4'-P-C4' energy: -127.339 flat angles P-C4'-P energy: -69.937 tors. eta vs tors. theta energy: 13.329 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: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3155.150931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.150931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.150931 (E_RNA) where: Base-Base interactions energy: -2188.585 where: short stacking energy: -958.906 Base-Backbone interact. energy: -5.851 local terms energy: -960.714896 where: bonds (distance) C4'-P energy: -170.440 bonds (distance) P-C4' energy: -171.692 flat angles C4'-P-C4' energy: -207.724 flat angles P-C4'-P energy: -140.083 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: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2995.126661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.126661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.126661 (E_RNA) where: Base-Base interactions energy: -2057.290 where: short stacking energy: -925.660 Base-Backbone interact. energy: -2.492 local terms energy: -935.344912 where: bonds (distance) C4'-P energy: -168.581 bonds (distance) P-C4' energy: -162.964 flat angles C4'-P-C4' energy: -212.301 flat angles P-C4'-P energy: -127.984 tors. eta vs tors. theta energy: -263.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2850.840154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.840154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.840154 (E_RNA) where: Base-Base interactions energy: -1957.204 where: short stacking energy: -873.927 Base-Backbone interact. energy: -3.097 local terms energy: -890.539444 where: bonds (distance) C4'-P energy: -152.327 bonds (distance) P-C4' energy: -170.033 flat angles C4'-P-C4' energy: -187.665 flat angles P-C4'-P energy: -110.425 tors. eta vs tors. theta energy: -270.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2724.142981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.142981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.142981 (E_RNA) where: Base-Base interactions energy: -1879.213 where: short stacking energy: -805.933 Base-Backbone interact. energy: -0.420 local terms energy: -844.509786 where: bonds (distance) C4'-P energy: -156.803 bonds (distance) P-C4' energy: -171.681 flat angles C4'-P-C4' energy: -184.103 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -220.939 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: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2587.069174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.069174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.069174 (E_RNA) where: Base-Base interactions energy: -1788.378 where: short stacking energy: -794.289 Base-Backbone interact. energy: -2.870 local terms energy: -795.821125 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -166.785 flat angles C4'-P-C4' energy: -176.398 flat angles P-C4'-P energy: -107.750 tors. eta vs tors. theta energy: -206.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2323.179602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.179602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.179602 (E_RNA) where: Base-Base interactions energy: -1526.934 where: short stacking energy: -713.362 Base-Backbone interact. energy: 2.454 local terms energy: -798.699664 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -175.347 flat angles C4'-P-C4' energy: -181.294 flat angles P-C4'-P energy: -109.994 tors. eta vs tors. theta energy: -184.381 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: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2088.987480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.987480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.987480 (E_RNA) where: Base-Base interactions energy: -1405.651 where: short stacking energy: -647.069 Base-Backbone interact. energy: -3.620 local terms energy: -679.717240 where: bonds (distance) C4'-P energy: -135.329 bonds (distance) P-C4' energy: -149.608 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -94.073 tors. eta vs tors. theta energy: -141.650 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: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1719.672440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.672440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.672440 (E_RNA) where: Base-Base interactions energy: -1106.254 where: short stacking energy: -525.983 Base-Backbone interact. energy: 0.726 local terms energy: -614.144091 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -152.202 flat angles C4'-P-C4' energy: -149.648 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -100.904 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: 6 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1183.608592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.608592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.608592 (E_RNA) where: Base-Base interactions energy: -664.647 where: short stacking energy: -332.074 Base-Backbone interact. energy: 2.615 local terms energy: -521.576745 where: bonds (distance) C4'-P energy: -130.119 bonds (distance) P-C4' energy: -149.995 flat angles C4'-P-C4' energy: -141.148 flat angles P-C4'-P energy: -71.006 tors. eta vs tors. theta energy: -29.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -824.182445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.182445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.182445 (E_RNA) where: Base-Base interactions energy: -384.628 where: short stacking energy: -239.436 Base-Backbone interact. energy: 2.855 local terms energy: -442.409117 where: bonds (distance) C4'-P energy: -161.671 bonds (distance) P-C4' energy: -141.319 flat angles C4'-P-C4' energy: -101.538 flat angles P-C4'-P energy: -71.333 tors. eta vs tors. theta energy: 33.452 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) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 170925256 moves confirmed later: 190760154 all moves confirmed: 361685410 percent of confirmed moves: 45.210676 current total energy: -3007.262312 recalc. total energy: -3007.262312 replica 3 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 214144780 moves confirmed later: 248175020 all moves confirmed: 462319800 percent of confirmed moves: 57.789975 current total energy: -2849.281511 recalc. total energy: -2849.281511 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 152402818 moves confirmed later: 166527415 all moves confirmed: 318930233 percent of confirmed moves: 39.866279 current total energy: -2717.306963 recalc. total energy: -2717.306963 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 172124712 moves confirmed later: 192790612 all moves confirmed: 364915324 percent of confirmed moves: 45.614415 current total energy: -2589.138754 recalc. total energy: -2589.138754 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 206832784 moves confirmed later: 237988792 all moves confirmed: 444821576 percent of confirmed moves: 55.602697 current total energy: -2455.439454 recalc. total energy: -2455.439454 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 212321697 moves confirmed later: 246543018 all moves confirmed: 458864715 percent of confirmed moves: 57.358089 current total energy: -2208.613727 recalc. total energy: -2208.613727 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 213271586 moves confirmed later: 246735558 all moves confirmed: 460007144 percent of confirmed moves: 57.500893 current total energy: -1922.228716 recalc. total energy: -1922.228716 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 231415585 moves confirmed later: 271618060 all moves confirmed: 503033645 percent of confirmed moves: 62.879206 current total energy: -1397.781763 recalc. total energy: -1397.781763 replica 6 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 280767929 moves confirmed later: 336342251 all moves confirmed: 617110180 percent of confirmed moves: 77.138773 current total energy: -1032.577253 recalc. total energy: -1032.577253 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 333381023 moves confirmed later: 406597075 all moves confirmed: 739978098 percent of confirmed moves: 92.497262 current total energy: -663.490969 recalc. total energy: -663.490969 out arg RESULTS//1/ZDHH-6eda3d6e_01 Time of doing 8000000 iterations: 59106.038 seconds