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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/metZ-af5ff4ea/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/metZ-af5ff4ea/inputs/seq.fa: 1 curr_seq: _AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUACGAUGGGGCCUUGCGUCGAUUUGAUUUCAGCUUGCGGACGCGGGGCAACCCGAAACAGCUAAAGCGAAGGCCGGCGAGCAGCGCCAUGCCGGCCCGAGUCGAUAGCUGCUCCGCACACCAAGCCCGCUGAUGCCGACGCAUGAGCGGGCUUUUU 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -635.806823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.806823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.806823 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -829.164290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.164290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.164290 (E_RNA) where: Base-Base interactions energy: -368.999 where: short stacking energy: -368.719 Base-Backbone interact. energy: 0.001 local terms energy: -460.166089 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -101.534 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -66.727 tors. eta vs tors. theta energy: -83.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -752.891186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.891186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.891186 (E_RNA) where: Base-Base interactions energy: -320.694 where: short stacking energy: -313.989 Base-Backbone interact. energy: 2.620 local terms energy: -434.816403 where: bonds (distance) C4'-P energy: -95.439 bonds (distance) P-C4' energy: -97.693 flat angles C4'-P-C4' energy: -100.567 flat angles P-C4'-P energy: -63.013 tors. eta vs tors. theta energy: -78.104 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: 2 Temperature: 1.000000 Total energy: -741.121276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.121276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.121276 (E_RNA) where: Base-Base interactions energy: -316.457 where: short stacking energy: -294.962 Base-Backbone interact. energy: 0.930 local terms energy: -425.593877 where: bonds (distance) C4'-P energy: -102.185 bonds (distance) P-C4' energy: -90.648 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -63.142 tors. eta vs tors. theta energy: -68.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -675.096213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.096213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.096213 (E_RNA) where: Base-Base interactions energy: -286.080 where: short stacking energy: -278.979 Base-Backbone interact. energy: -0.771 local terms energy: -388.244511 where: bonds (distance) C4'-P energy: -83.701 bonds (distance) P-C4' energy: -89.798 flat angles C4'-P-C4' energy: -84.325 flat angles P-C4'-P energy: -67.712 tors. eta vs tors. theta energy: -62.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -644.314917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.314917 (E_RNA) where: Base-Base interactions energy: -260.690 where: short stacking energy: -259.466 Base-Backbone interact. energy: 0.872 local terms energy: -384.496526 where: bonds (distance) C4'-P energy: -91.118 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -96.963 flat angles P-C4'-P energy: -45.699 tors. eta vs tors. theta energy: -65.251 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -634.545771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.545771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.545771 (E_RNA) where: Base-Base interactions energy: -26.026 where: short stacking energy: -26.026 Base-Backbone interact. energy: -0.000 local terms energy: -608.519187 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -131.484 tors. eta vs tors. theta energy: -70.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -634.545900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.545900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.545900 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -26.027 Base-Backbone interact. energy: -0.000 local terms energy: -608.519187 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -131.484 tors. eta vs tors. theta energy: -70.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -634.411035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.411035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.411035 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -26.027 Base-Backbone interact. energy: -0.000 local terms energy: -608.384213 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -131.349 tors. eta vs tors. theta energy: -70.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -634.411156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.411156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.411156 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -26.027 Base-Backbone interact. energy: -0.000 local terms energy: -608.384213 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -131.349 tors. eta vs tors. theta energy: -70.297 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -639.659097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.659097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.659097 (E_RNA) where: Base-Base interactions energy: -75.762 where: short stacking energy: -75.762 Base-Backbone interact. energy: -0.000 local terms energy: -563.897389 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -125.458 flat angles C4'-P-C4' energy: -116.163 flat angles P-C4'-P energy: -126.908 tors. eta vs tors. theta energy: -71.644 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -879.478175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.478175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.478175 (E_RNA) where: Base-Base interactions energy: -407.001 where: short stacking energy: -347.653 Base-Backbone interact. energy: -0.083 local terms energy: -472.394041 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -98.895 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -70.994 tors. eta vs tors. theta energy: -93.044 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: 3 Temperature: 0.950000 Total energy: -842.515545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.515545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.515545 (E_RNA) where: Base-Base interactions energy: -409.455 where: short stacking energy: -359.062 Base-Backbone interact. energy: -0.387 local terms energy: -432.674111 where: bonds (distance) C4'-P energy: -86.089 bonds (distance) P-C4' energy: -95.928 flat angles C4'-P-C4' energy: -99.992 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -87.215 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -808.941712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.941712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.941712 (E_RNA) where: Base-Base interactions energy: -387.531 where: short stacking energy: -292.086 Base-Backbone interact. energy: 2.930 local terms energy: -424.340483 where: bonds (distance) C4'-P energy: -101.269 bonds (distance) P-C4' energy: -98.048 flat angles C4'-P-C4' energy: -99.122 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -55.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -727.384509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.384509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.384509 (E_RNA) where: Base-Base interactions energy: -336.898 where: short stacking energy: -275.145 Base-Backbone interact. energy: -1.514 local terms energy: -388.972340 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -98.111 flat angles C4'-P-C4' energy: -81.626 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -50.041 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -604.848077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.848077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.848077 (E_RNA) where: Base-Base interactions energy: -249.600 where: short stacking energy: -231.963 Base-Backbone interact. energy: 0.523 local terms energy: -355.770491 where: bonds (distance) C4'-P energy: -80.954 bonds (distance) P-C4' energy: -92.577 flat angles C4'-P-C4' energy: -82.410 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -33.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -686.374532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.374532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.374532 (E_RNA) where: Base-Base interactions energy: -354.667 where: short stacking energy: -225.115 Base-Backbone interact. energy: 0.231 local terms energy: -331.938977 where: bonds (distance) C4'-P energy: -84.825 bonds (distance) P-C4' energy: -79.022 flat angles C4'-P-C4' energy: -81.847 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -31.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -551.377299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.377299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.377299 (E_RNA) where: Base-Base interactions energy: -238.542 where: short stacking energy: -200.609 Base-Backbone interact. energy: 2.832 local terms energy: -315.666502 where: bonds (distance) C4'-P energy: -76.031 bonds (distance) P-C4' energy: -91.190 flat angles C4'-P-C4' energy: -70.971 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -26.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -558.517557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.517557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.517557 (E_RNA) where: Base-Base interactions energy: -262.662 where: short stacking energy: -173.474 Base-Backbone interact. energy: 1.473 local terms energy: -297.327803 where: bonds (distance) C4'-P energy: -77.146 bonds (distance) P-C4' energy: -73.252 flat angles C4'-P-C4' energy: -79.492 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -20.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -438.400773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.400773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.400773 (E_RNA) where: Base-Base interactions energy: -147.329 where: short stacking energy: -130.654 Base-Backbone interact. energy: 0.142 local terms energy: -291.213994 where: bonds (distance) C4'-P energy: -88.488 bonds (distance) P-C4' energy: -89.692 flat angles C4'-P-C4' energy: -60.052 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -435.302677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.302677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.302677 (E_RNA) where: Base-Base interactions energy: -177.558 where: short stacking energy: -139.135 Base-Backbone interact. energy: 0.529 local terms energy: -258.273830 where: bonds (distance) C4'-P energy: -66.755 bonds (distance) P-C4' energy: -87.807 flat angles C4'-P-C4' energy: -64.152 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: 0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -931.726087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.726087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.726087 (E_RNA) where: Base-Base interactions energy: -456.703 where: short stacking energy: -392.551 Base-Backbone interact. energy: -0.532 local terms energy: -474.490823 where: bonds (distance) C4'-P energy: -97.347 bonds (distance) P-C4' energy: -97.137 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -58.134 tors. eta vs tors. theta energy: -114.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -845.456742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.456742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.456742 (E_RNA) where: Base-Base interactions energy: -396.548 where: short stacking energy: -331.399 Base-Backbone interact. energy: -0.346 local terms energy: -448.563097 where: bonds (distance) C4'-P energy: -95.673 bonds (distance) P-C4' energy: -105.605 flat angles C4'-P-C4' energy: -100.161 flat angles P-C4'-P energy: -63.748 tors. eta vs tors. theta energy: -83.376 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: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -950.977258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.977258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.977258 (E_RNA) where: Base-Base interactions energy: -536.546 where: short stacking energy: -305.961 Base-Backbone interact. energy: 0.087 local terms energy: -414.518011 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -87.338 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -58.965 tors. eta vs tors. theta energy: -61.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -801.572892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.572892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.572892 (E_RNA) where: Base-Base interactions energy: -403.724 where: short stacking energy: -301.897 Base-Backbone interact. energy: -0.160 local terms energy: -397.688877 where: bonds (distance) C4'-P energy: -91.371 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -85.722 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -64.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -775.230251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.230251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.230251 (E_RNA) where: Base-Base interactions energy: -391.001 where: short stacking energy: -260.804 Base-Backbone interact. energy: -1.189 local terms energy: -383.040805 where: bonds (distance) C4'-P energy: -94.480 bonds (distance) P-C4' energy: -105.799 flat angles C4'-P-C4' energy: -86.979 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -42.905 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -616.436863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.436863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.436863 (E_RNA) where: Base-Base interactions energy: -279.101 where: short stacking energy: -223.501 Base-Backbone interact. energy: 1.938 local terms energy: -339.273999 where: bonds (distance) C4'-P energy: -86.563 bonds (distance) P-C4' energy: -87.699 flat angles C4'-P-C4' energy: -90.644 flat angles P-C4'-P energy: -43.444 tors. eta vs tors. theta energy: -30.924 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -578.920452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.920452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.920452 (E_RNA) where: Base-Base interactions energy: -277.557 where: short stacking energy: -190.736 Base-Backbone interact. energy: 6.162 local terms energy: -307.526268 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -86.507 flat angles C4'-P-C4' energy: -67.018 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -21.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -532.048978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.048978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.048978 (E_RNA) where: Base-Base interactions energy: -228.875 where: short stacking energy: -188.022 Base-Backbone interact. energy: -1.281 local terms energy: -301.892342 where: bonds (distance) C4'-P energy: -82.015 bonds (distance) P-C4' energy: -92.307 flat angles C4'-P-C4' energy: -82.955 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -431.581900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.581900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.581900 (E_RNA) where: Base-Base interactions energy: -150.424 where: short stacking energy: -148.343 Base-Backbone interact. energy: 1.557 local terms energy: -282.714969 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -64.391 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -48.300 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -407.587787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.587787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.587787 (E_RNA) where: Base-Base interactions energy: -117.339 where: short stacking energy: -115.206 Base-Backbone interact. energy: -1.137 local terms energy: -289.112392 where: bonds (distance) C4'-P energy: -84.764 bonds (distance) P-C4' energy: -92.707 flat angles C4'-P-C4' energy: -61.409 flat angles P-C4'-P energy: -48.022 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -974.042126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.042126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.042126 (E_RNA) where: Base-Base interactions energy: -485.080 where: short stacking energy: -410.488 Base-Backbone interact. energy: -0.776 local terms energy: -488.186253 where: bonds (distance) C4'-P energy: -97.761 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -108.553 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: -106.138 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1072.720936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.720936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.720936 (E_RNA) where: Base-Base interactions energy: -611.975 where: short stacking energy: -357.255 Base-Backbone interact. energy: 0.024 local terms energy: -460.769731 where: bonds (distance) C4'-P energy: -104.289 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -111.911 flat angles P-C4'-P energy: -57.571 tors. eta vs tors. theta energy: -80.405 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -813.232161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.232161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.232161 (E_RNA) where: Base-Base interactions energy: -368.767 where: short stacking energy: -328.054 Base-Backbone interact. energy: -1.834 local terms energy: -442.630733 where: bonds (distance) C4'-P energy: -86.821 bonds (distance) P-C4' energy: -101.443 flat angles C4'-P-C4' energy: -103.259 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -81.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -818.338961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.338961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.338961 (E_RNA) where: Base-Base interactions energy: -409.108 where: short stacking energy: -286.013 Base-Backbone interact. energy: -1.263 local terms energy: -407.967659 where: bonds (distance) C4'-P energy: -95.199 bonds (distance) P-C4' energy: -108.535 flat angles C4'-P-C4' energy: -91.678 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -59.670 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: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -814.836550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.836550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.836550 (E_RNA) where: Base-Base interactions energy: -458.937 where: short stacking energy: -274.539 Base-Backbone interact. energy: -2.869 local terms energy: -353.030527 where: bonds (distance) C4'-P energy: -80.375 bonds (distance) P-C4' energy: -92.281 flat angles C4'-P-C4' energy: -86.199 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -34.681 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -752.667757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.667757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.667757 (E_RNA) where: Base-Base interactions energy: -377.905 where: short stacking energy: -263.944 Base-Backbone interact. energy: -1.328 local terms energy: -373.435322 where: bonds (distance) C4'-P energy: -80.222 bonds (distance) P-C4' energy: -78.481 flat angles C4'-P-C4' energy: -104.458 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -53.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -600.219864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.219864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.219864 (E_RNA) where: Base-Base interactions energy: -279.651 where: short stacking energy: -191.947 Base-Backbone interact. energy: -0.085 local terms energy: -320.484304 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -87.049 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -17.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -462.339798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.339798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.339798 (E_RNA) where: Base-Base interactions energy: -169.610 where: short stacking energy: -160.312 Base-Backbone interact. energy: -1.733 local terms energy: -290.996132 where: bonds (distance) C4'-P energy: -88.133 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -71.495 flat angles P-C4'-P energy: -45.617 tors. eta vs tors. theta energy: -4.338 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: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -429.394139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.394139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.394139 (E_RNA) where: Base-Base interactions energy: -158.162 where: short stacking energy: -143.904 Base-Backbone interact. energy: -0.501 local terms energy: -270.731188 where: bonds (distance) C4'-P energy: -94.573 bonds (distance) P-C4' energy: -81.018 flat angles C4'-P-C4' energy: -79.218 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: 16.349 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -414.105589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.105589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.105589 (E_RNA) where: Base-Base interactions energy: -162.891 where: short stacking energy: -123.243 Base-Backbone interact. energy: 0.416 local terms energy: -251.630477 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -78.016 flat angles C4'-P-C4' energy: -72.381 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: 14.116 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: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1129.627722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.627722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.627722 (E_RNA) where: Base-Base interactions energy: -657.400 where: short stacking energy: -396.493 Base-Backbone interact. energy: -1.745 local terms energy: -470.482862 where: bonds (distance) C4'-P energy: -90.008 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -111.001 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -96.043 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -899.356463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.356463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.356463 (E_RNA) where: Base-Base interactions energy: -469.072 where: short stacking energy: -377.696 Base-Backbone interact. energy: -0.608 local terms energy: -429.676800 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -92.140 flat angles C4'-P-C4' energy: -101.508 flat angles P-C4'-P energy: -59.664 tors. eta vs tors. theta energy: -84.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -821.966718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.966718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.966718 (E_RNA) where: Base-Base interactions energy: -389.653 where: short stacking energy: -330.289 Base-Backbone interact. energy: 0.077 local terms energy: -432.390189 where: bonds (distance) C4'-P energy: -98.683 bonds (distance) P-C4' energy: -107.121 flat angles C4'-P-C4' energy: -81.178 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -84.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -772.375530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.375530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.375530 (E_RNA) where: Base-Base interactions energy: -368.624 where: short stacking energy: -266.213 Base-Backbone interact. energy: 1.821 local terms energy: -405.572522 where: bonds (distance) C4'-P energy: -97.989 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -95.420 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -54.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -811.269992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.269992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.269992 (E_RNA) where: Base-Base interactions energy: -463.919 where: short stacking energy: -269.171 Base-Backbone interact. energy: -3.383 local terms energy: -343.968732 where: bonds (distance) C4'-P energy: -84.633 bonds (distance) P-C4' energy: -83.765 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -36.497 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: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -761.681827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.681827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.681827 (E_RNA) where: Base-Base interactions energy: -402.286 where: short stacking energy: -229.669 Base-Backbone interact. energy: 2.397 local terms energy: -361.792940 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -81.345 flat angles C4'-P-C4' energy: -92.464 flat angles P-C4'-P energy: -51.172 tors. eta vs tors. theta energy: -46.324 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: 4 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -635.096279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.096279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.096279 (E_RNA) where: Base-Base interactions energy: -319.382 where: short stacking energy: -186.869 Base-Backbone interact. energy: -0.400 local terms energy: -315.313815 where: bonds (distance) C4'-P energy: -91.030 bonds (distance) P-C4' energy: -84.051 flat angles C4'-P-C4' energy: -90.565 flat angles P-C4'-P energy: -27.070 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -572.365119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.365119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.365119 (E_RNA) where: Base-Base interactions energy: -255.189 where: short stacking energy: -187.793 Base-Backbone interact. energy: 0.462 local terms energy: -317.638171 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -90.604 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -17.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -417.159218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.159218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.159218 (E_RNA) where: Base-Base interactions energy: -139.611 where: short stacking energy: -117.792 Base-Backbone interact. energy: -2.193 local terms energy: -275.354942 where: bonds (distance) C4'-P energy: -84.631 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -53.130 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -395.740962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.740962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.740962 (E_RNA) where: Base-Base interactions energy: -144.238 where: short stacking energy: -130.610 Base-Backbone interact. energy: 2.120 local terms energy: -253.622518 where: bonds (distance) C4'-P energy: -76.701 bonds (distance) P-C4' energy: -95.866 flat angles C4'-P-C4' energy: -60.800 flat angles P-C4'-P energy: -34.781 tors. eta vs tors. theta energy: 14.526 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: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1187.099817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.099817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.099817 (E_RNA) where: Base-Base interactions energy: -719.854 where: short stacking energy: -373.488 Base-Backbone interact. energy: 3.044 local terms energy: -470.289271 where: bonds (distance) C4'-P energy: -108.371 bonds (distance) P-C4' energy: -105.029 flat angles C4'-P-C4' energy: -109.265 flat angles P-C4'-P energy: -63.979 tors. eta vs tors. theta energy: -83.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -987.843468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.843468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.843468 (E_RNA) where: Base-Base interactions energy: -544.967 where: short stacking energy: -362.732 Base-Backbone interact. energy: 0.014 local terms energy: -442.890412 where: bonds (distance) C4'-P energy: -97.603 bonds (distance) P-C4' energy: -89.010 flat angles C4'-P-C4' energy: -103.428 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -792.864129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.864129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.864129 (E_RNA) where: Base-Base interactions energy: -380.100 where: short stacking energy: -303.784 Base-Backbone interact. energy: -1.761 local terms energy: -411.003236 where: bonds (distance) C4'-P energy: -82.952 bonds (distance) P-C4' energy: -94.726 flat angles C4'-P-C4' energy: -102.360 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -69.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -855.434959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.434959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.434959 (E_RNA) where: Base-Base interactions energy: -489.522 where: short stacking energy: -282.723 Base-Backbone interact. energy: -2.448 local terms energy: -363.465831 where: bonds (distance) C4'-P energy: -92.800 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -86.116 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -42.933 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -763.680437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.680437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.680437 (E_RNA) where: Base-Base interactions energy: -373.152 where: short stacking energy: -291.178 Base-Backbone interact. energy: -0.023 local terms energy: -390.506214 where: bonds (distance) C4'-P energy: -92.779 bonds (distance) P-C4' energy: -99.311 flat angles C4'-P-C4' energy: -84.825 flat angles P-C4'-P energy: -58.357 tors. eta vs tors. theta energy: -55.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -754.833298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.833298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.833298 (E_RNA) where: Base-Base interactions energy: -403.115 where: short stacking energy: -252.896 Base-Backbone interact. energy: -2.994 local terms energy: -348.724638 where: bonds (distance) C4'-P energy: -88.939 bonds (distance) P-C4' energy: -95.632 flat angles C4'-P-C4' energy: -82.168 flat angles P-C4'-P energy: -50.981 tors. eta vs tors. theta energy: -31.005 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: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -641.771702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.771702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.771702 (E_RNA) where: Base-Base interactions energy: -318.099 where: short stacking energy: -212.525 Base-Backbone interact. energy: -1.825 local terms energy: -321.848312 where: bonds (distance) C4'-P energy: -72.660 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -83.425 flat angles P-C4'-P energy: -43.647 tors. eta vs tors. theta energy: -24.844 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: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -604.030533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.030533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.030533 (E_RNA) where: Base-Base interactions energy: -322.874 where: short stacking energy: -185.225 Base-Backbone interact. energy: 15.598 local terms energy: -296.754026 where: bonds (distance) C4'-P energy: -78.603 bonds (distance) P-C4' energy: -82.048 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -45.445 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -451.876930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.876930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.876930 (E_RNA) where: Base-Base interactions energy: -174.767 where: short stacking energy: -144.558 Base-Backbone interact. energy: 4.326 local terms energy: -281.435616 where: bonds (distance) C4'-P energy: -97.367 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -73.347 flat angles P-C4'-P energy: -31.160 tors. eta vs tors. theta energy: 9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -381.922721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.922721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.922721 (E_RNA) where: Base-Base interactions energy: -135.442 where: short stacking energy: -125.974 Base-Backbone interact. energy: 0.812 local terms energy: -247.293702 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -90.054 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -32.069 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1144.257668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.257668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.257668 (E_RNA) where: Base-Base interactions energy: -703.024 where: short stacking energy: -366.200 Base-Backbone interact. energy: 1.529 local terms energy: -442.762430 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -97.693 flat angles C4'-P-C4' energy: -99.440 flat angles P-C4'-P energy: -77.930 tors. eta vs tors. theta energy: -82.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1048.347694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.347694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.347694 (E_RNA) where: Base-Base interactions energy: -579.106 where: short stacking energy: -365.833 Base-Backbone interact. energy: -0.645 local terms energy: -468.596356 where: bonds (distance) C4'-P energy: -102.185 bonds (distance) P-C4' energy: -108.818 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -64.500 tors. eta vs tors. theta energy: -90.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -984.505949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.505949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.505949 (E_RNA) where: Base-Base interactions energy: -575.977 where: short stacking energy: -336.259 Base-Backbone interact. energy: -0.409 local terms energy: -408.120017 where: bonds (distance) C4'-P energy: -88.622 bonds (distance) P-C4' energy: -99.004 flat angles C4'-P-C4' energy: -95.943 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -69.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -766.502566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.502566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.502566 (E_RNA) where: Base-Base interactions energy: -402.494 where: short stacking energy: -264.539 Base-Backbone interact. energy: 0.555 local terms energy: -364.563136 where: bonds (distance) C4'-P energy: -75.321 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -92.357 flat angles P-C4'-P energy: -60.431 tors. eta vs tors. theta energy: -40.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -868.792347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.792347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.792347 (E_RNA) where: Base-Base interactions energy: -485.663 where: short stacking energy: -313.586 Base-Backbone interact. energy: -1.644 local terms energy: -381.485800 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -93.274 flat angles C4'-P-C4' energy: -96.187 flat angles P-C4'-P energy: -47.661 tors. eta vs tors. theta energy: -56.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -627.854998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.854998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.854998 (E_RNA) where: Base-Base interactions energy: -281.023 where: short stacking energy: -226.271 Base-Backbone interact. energy: -0.715 local terms energy: -346.117670 where: bonds (distance) C4'-P energy: -89.289 bonds (distance) P-C4' energy: -82.284 flat angles C4'-P-C4' energy: -98.892 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -22.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -768.965943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.965943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.965943 (E_RNA) where: Base-Base interactions energy: -438.068 where: short stacking energy: -218.321 Base-Backbone interact. energy: -1.905 local terms energy: -328.992213 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -104.823 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -647.190937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.190937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.190937 (E_RNA) where: Base-Base interactions energy: -324.904 where: short stacking energy: -187.488 Base-Backbone interact. energy: -3.219 local terms energy: -319.067794 where: bonds (distance) C4'-P energy: -75.527 bonds (distance) P-C4' energy: -94.218 flat angles C4'-P-C4' energy: -82.442 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -23.148 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -446.722344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.722344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.722344 (E_RNA) where: Base-Base interactions energy: -173.686 where: short stacking energy: -136.678 Base-Backbone interact. energy: -0.799 local terms energy: -272.237417 where: bonds (distance) C4'-P energy: -74.705 bonds (distance) P-C4' energy: -96.799 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: 20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -412.176455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.176455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.176455 (E_RNA) where: Base-Base interactions energy: -159.036 where: short stacking energy: -128.537 Base-Backbone interact. energy: 1.277 local terms energy: -254.416968 where: bonds (distance) C4'-P energy: -85.207 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -74.017 flat angles P-C4'-P energy: -19.273 tors. eta vs tors. theta energy: 2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1121.543835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.543835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.543835 (E_RNA) where: Base-Base interactions energy: -691.134 where: short stacking energy: -382.862 Base-Backbone interact. energy: -1.538 local terms energy: -428.871968 where: bonds (distance) C4'-P energy: -86.330 bonds (distance) P-C4' energy: -111.277 flat angles C4'-P-C4' energy: -104.183 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: -69.430 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: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1091.159039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.159039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.159039 (E_RNA) where: Base-Base interactions energy: -631.680 where: short stacking energy: -365.610 Base-Backbone interact. energy: -3.080 local terms energy: -456.399285 where: bonds (distance) C4'-P energy: -101.883 bonds (distance) P-C4' energy: -108.745 flat angles C4'-P-C4' energy: -104.108 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -82.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1021.944024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.944024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.944024 (E_RNA) where: Base-Base interactions energy: -568.365 where: short stacking energy: -343.926 Base-Backbone interact. energy: -1.804 local terms energy: -451.774382 where: bonds (distance) C4'-P energy: -94.661 bonds (distance) P-C4' energy: -98.970 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -77.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -903.980999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.980999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.980999 (E_RNA) where: Base-Base interactions energy: -518.665 where: short stacking energy: -299.808 Base-Backbone interact. energy: -2.962 local terms energy: -382.354233 where: bonds (distance) C4'-P energy: -99.477 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -78.540 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -62.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -835.504377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.504377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.504377 (E_RNA) where: Base-Base interactions energy: -495.644 where: short stacking energy: -269.115 Base-Backbone interact. energy: -1.895 local terms energy: -337.965574 where: bonds (distance) C4'-P energy: -88.359 bonds (distance) P-C4' energy: -84.174 flat angles C4'-P-C4' energy: -87.938 flat angles P-C4'-P energy: -39.927 tors. eta vs tors. theta energy: -37.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -834.878085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.878085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.878085 (E_RNA) where: Base-Base interactions energy: -484.124 where: short stacking energy: -265.523 Base-Backbone interact. energy: -3.877 local terms energy: -346.876885 where: bonds (distance) C4'-P energy: -86.739 bonds (distance) P-C4' energy: -95.084 flat angles C4'-P-C4' energy: -78.956 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -40.803 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -590.359216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.359216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.359216 (E_RNA) where: Base-Base interactions energy: -259.540 where: short stacking energy: -210.513 Base-Backbone interact. energy: 0.953 local terms energy: -331.772920 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -101.781 flat angles C4'-P-C4' energy: -82.988 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -31.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -667.088042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.088042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.088042 (E_RNA) where: Base-Base interactions energy: -363.101 where: short stacking energy: -198.969 Base-Backbone interact. energy: 5.157 local terms energy: -309.144901 where: bonds (distance) C4'-P energy: -82.599 bonds (distance) P-C4' energy: -94.927 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -21.165 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -456.162075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.162075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.162075 (E_RNA) where: Base-Base interactions energy: -178.616 where: short stacking energy: -140.892 Base-Backbone interact. energy: 0.118 local terms energy: -277.664412 where: bonds (distance) C4'-P energy: -70.636 bonds (distance) P-C4' energy: -76.558 flat angles C4'-P-C4' energy: -87.176 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: 6.846 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -413.771206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.771206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.771206 (E_RNA) where: Base-Base interactions energy: -179.865 where: short stacking energy: -132.885 Base-Backbone interact. energy: 2.838 local terms energy: -236.743947 where: bonds (distance) C4'-P energy: -88.377 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -54.819 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: 13.215 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: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1181.188802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.188802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.188802 (E_RNA) where: Base-Base interactions energy: -701.742 where: short stacking energy: -403.544 Base-Backbone interact. energy: -0.675 local terms energy: -478.771946 where: bonds (distance) C4'-P energy: -100.795 bonds (distance) P-C4' energy: -101.466 flat angles C4'-P-C4' energy: -101.228 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -101.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1079.932676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.932676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.932676 (E_RNA) where: Base-Base interactions energy: -657.178 where: short stacking energy: -350.082 Base-Backbone interact. energy: -0.487 local terms energy: -422.267543 where: bonds (distance) C4'-P energy: -99.597 bonds (distance) P-C4' energy: -104.588 flat angles C4'-P-C4' energy: -101.239 flat angles P-C4'-P energy: -43.686 tors. eta vs tors. theta energy: -73.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1051.320571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.320571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.320571 (E_RNA) where: Base-Base interactions energy: -634.174 where: short stacking energy: -318.110 Base-Backbone interact. energy: -0.401 local terms energy: -416.744676 where: bonds (distance) C4'-P energy: -96.061 bonds (distance) P-C4' energy: -100.469 flat angles C4'-P-C4' energy: -90.345 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: -72.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -936.625813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.625813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.625813 (E_RNA) where: Base-Base interactions energy: -527.043 where: short stacking energy: -314.517 Base-Backbone interact. energy: -0.078 local terms energy: -409.504571 where: bonds (distance) C4'-P energy: -92.488 bonds (distance) P-C4' energy: -91.055 flat angles C4'-P-C4' energy: -92.244 flat angles P-C4'-P energy: -62.385 tors. eta vs tors. theta energy: -71.333 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: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -807.587604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.587604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.587604 (E_RNA) where: Base-Base interactions energy: -444.051 where: short stacking energy: -232.749 Base-Backbone interact. energy: -3.007 local terms energy: -360.529740 where: bonds (distance) C4'-P energy: -81.159 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -95.612 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -35.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -825.204165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.204165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.204165 (E_RNA) where: Base-Base interactions energy: -460.612 where: short stacking energy: -269.793 Base-Backbone interact. energy: -1.408 local terms energy: -363.183752 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -91.692 flat angles C4'-P-C4' energy: -77.743 flat angles P-C4'-P energy: -40.132 tors. eta vs tors. theta energy: -57.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -771.805883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.805883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.805883 (E_RNA) where: Base-Base interactions energy: -431.692 where: short stacking energy: -216.146 Base-Backbone interact. energy: 1.930 local terms energy: -342.043714 where: bonds (distance) C4'-P energy: -80.630 bonds (distance) P-C4' energy: -99.158 flat angles C4'-P-C4' energy: -76.201 flat angles P-C4'-P energy: -52.603 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) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -539.994919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.994919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.994919 (E_RNA) where: Base-Base interactions energy: -245.649 where: short stacking energy: -189.266 Base-Backbone interact. energy: -2.410 local terms energy: -291.935490 where: bonds (distance) C4'-P energy: -70.053 bonds (distance) P-C4' energy: -78.963 flat angles C4'-P-C4' energy: -81.193 flat angles P-C4'-P energy: -48.523 tors. eta vs tors. theta energy: -13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -456.236006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.236006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.236006 (E_RNA) where: Base-Base interactions energy: -169.573 where: short stacking energy: -153.322 Base-Backbone interact. energy: -1.464 local terms energy: -285.199016 where: bonds (distance) C4'-P energy: -83.939 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -81.105 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: 3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -425.943477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.943477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.943477 (E_RNA) where: Base-Base interactions energy: -152.363 where: short stacking energy: -140.081 Base-Backbone interact. energy: 7.737 local terms energy: -281.317788 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -86.835 flat angles C4'-P-C4' energy: -72.490 flat angles P-C4'-P energy: -33.007 tors. eta vs tors. theta energy: -9.268 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: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1180.532874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.532874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.532874 (E_RNA) where: Base-Base interactions energy: -687.719 where: short stacking energy: -409.003 Base-Backbone interact. energy: -3.234 local terms energy: -489.580275 where: bonds (distance) C4'-P energy: -101.801 bonds (distance) P-C4' energy: -100.424 flat angles C4'-P-C4' energy: -106.867 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -110.672 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: 9 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1149.191725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.191725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.191725 (E_RNA) where: Base-Base interactions energy: -696.469 where: short stacking energy: -365.062 Base-Backbone interact. energy: -0.614 local terms energy: -452.108913 where: bonds (distance) C4'-P energy: -86.144 bonds (distance) P-C4' energy: -101.777 flat angles C4'-P-C4' energy: -106.450 flat angles P-C4'-P energy: -66.102 tors. eta vs tors. theta energy: -91.635 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: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1003.050965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.050965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.050965 (E_RNA) where: Base-Base interactions energy: -598.069 where: short stacking energy: -316.814 Base-Backbone interact. energy: -1.675 local terms energy: -403.307126 where: bonds (distance) C4'-P energy: -97.932 bonds (distance) P-C4' energy: -98.488 flat angles C4'-P-C4' energy: -93.964 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -58.975 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: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -987.799211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.799211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.799211 (E_RNA) where: Base-Base interactions energy: -569.474 where: short stacking energy: -324.156 Base-Backbone interact. energy: -2.373 local terms energy: -415.951922 where: bonds (distance) C4'-P energy: -87.185 bonds (distance) P-C4' energy: -97.182 flat angles C4'-P-C4' energy: -94.920 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -69.197 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: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -882.420714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.420714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.420714 (E_RNA) where: Base-Base interactions energy: -520.704 where: short stacking energy: -238.868 Base-Backbone interact. energy: 4.384 local terms energy: -366.100220 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -100.625 flat angles C4'-P-C4' energy: -95.871 flat angles P-C4'-P energy: -49.691 tors. eta vs tors. theta energy: -22.569 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -917.402909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.402909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.402909 (E_RNA) where: Base-Base interactions energy: -544.948 where: short stacking energy: -275.155 Base-Backbone interact. energy: -1.665 local terms energy: -370.789659 where: bonds (distance) C4'-P energy: -77.493 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -93.489 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -47.706 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: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -793.664037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.664037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.664037 (E_RNA) where: Base-Base interactions energy: -457.868 where: short stacking energy: -252.353 Base-Backbone interact. energy: 2.081 local terms energy: -337.877491 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -101.736 flat angles C4'-P-C4' energy: -76.150 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -27.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -555.589594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.589594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.589594 (E_RNA) where: Base-Base interactions energy: -263.754 where: short stacking energy: -203.574 Base-Backbone interact. energy: 0.570 local terms energy: -292.405692 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -89.472 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -31.724 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -479.413134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.413134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.413134 (E_RNA) where: Base-Base interactions energy: -187.956 where: short stacking energy: -140.501 Base-Backbone interact. energy: -3.736 local terms energy: -287.721605 where: bonds (distance) C4'-P energy: -88.973 bonds (distance) P-C4' energy: -86.889 flat angles C4'-P-C4' energy: -69.212 flat angles P-C4'-P energy: -39.466 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -414.768846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.768846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.768846 (E_RNA) where: Base-Base interactions energy: -156.941 where: short stacking energy: -124.984 Base-Backbone interact. energy: -0.139 local terms energy: -257.688624 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -92.420 flat angles C4'-P-C4' energy: -60.926 flat angles P-C4'-P energy: -30.142 tors. eta vs tors. theta energy: 4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1241.182842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.182842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.182842 (E_RNA) where: Base-Base interactions energy: -783.165 where: short stacking energy: -412.975 Base-Backbone interact. energy: -1.958 local terms energy: -456.058926 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -107.519 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -86.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1251.402092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.402092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.402092 (E_RNA) where: Base-Base interactions energy: -777.828 where: short stacking energy: -401.342 Base-Backbone interact. energy: -2.474 local terms energy: -471.100668 where: bonds (distance) C4'-P energy: -99.575 bonds (distance) P-C4' energy: -109.557 flat angles C4'-P-C4' energy: -103.779 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -94.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1038.131873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.131873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.131873 (E_RNA) where: Base-Base interactions energy: -624.444 where: short stacking energy: -337.369 Base-Backbone interact. energy: -2.169 local terms energy: -411.518917 where: bonds (distance) C4'-P energy: -90.644 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -69.162 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -984.048864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.048864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.048864 (E_RNA) where: Base-Base interactions energy: -541.179 where: short stacking energy: -322.656 Base-Backbone interact. energy: 1.400 local terms energy: -444.270551 where: bonds (distance) C4'-P energy: -96.454 bonds (distance) P-C4' energy: -102.705 flat angles C4'-P-C4' energy: -94.114 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -75.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -956.704701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.704701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.704701 (E_RNA) where: Base-Base interactions energy: -566.992 where: short stacking energy: -301.526 Base-Backbone interact. energy: -2.038 local terms energy: -387.675429 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -93.891 flat angles C4'-P-C4' energy: -80.532 flat angles P-C4'-P energy: -67.186 tors. eta vs tors. theta energy: -58.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -859.302282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.302282 (E_RNA) where: Base-Base interactions energy: -527.621 where: short stacking energy: -237.784 Base-Backbone interact. energy: -0.269 local terms energy: -331.412236 where: bonds (distance) C4'-P energy: -68.026 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -92.531 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -34.129 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: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -836.857006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.857006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.857006 (E_RNA) where: Base-Base interactions energy: -511.174 where: short stacking energy: -220.747 Base-Backbone interact. energy: 0.016 local terms energy: -325.698773 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -64.194 tors. eta vs tors. theta energy: -25.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -536.778721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.778721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.778721 (E_RNA) where: Base-Base interactions energy: -251.758 where: short stacking energy: -196.660 Base-Backbone interact. energy: 0.038 local terms energy: -285.058638 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -84.286 flat angles C4'-P-C4' energy: -82.355 flat angles P-C4'-P energy: -28.189 tors. eta vs tors. theta energy: -8.208 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: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -438.949658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.949658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.949658 (E_RNA) where: Base-Base interactions energy: -173.631 where: short stacking energy: -159.614 Base-Backbone interact. energy: 2.452 local terms energy: -267.770702 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -79.546 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -31.870 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -466.312162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.312162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.312162 (E_RNA) where: Base-Base interactions energy: -211.667 where: short stacking energy: -149.654 Base-Backbone interact. energy: 0.608 local terms energy: -255.253999 where: bonds (distance) C4'-P energy: -79.558 bonds (distance) P-C4' energy: -77.787 flat angles C4'-P-C4' energy: -53.516 flat angles P-C4'-P energy: -41.499 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1297.504916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.504916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.504916 (E_RNA) where: Base-Base interactions energy: -848.489 where: short stacking energy: -430.831 Base-Backbone interact. energy: -3.971 local terms energy: -445.044896 where: bonds (distance) C4'-P energy: -87.653 bonds (distance) P-C4' energy: -93.853 flat angles C4'-P-C4' energy: -96.697 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -101.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1209.280870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.280870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.280870 (E_RNA) where: Base-Base interactions energy: -777.673 where: short stacking energy: -399.359 Base-Backbone interact. energy: -4.571 local terms energy: -427.037516 where: bonds (distance) C4'-P energy: -92.147 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -96.746 flat angles P-C4'-P energy: -60.602 tors. eta vs tors. theta energy: -95.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1126.274100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.274100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.274100 (E_RNA) where: Base-Base interactions energy: -695.339 where: short stacking energy: -367.346 Base-Backbone interact. energy: -0.860 local terms energy: -430.075430 where: bonds (distance) C4'-P energy: -89.476 bonds (distance) P-C4' energy: -102.860 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -59.274 tors. eta vs tors. theta energy: -80.782 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: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1077.699826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.699826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.699826 (E_RNA) where: Base-Base interactions energy: -687.746 where: short stacking energy: -364.563 Base-Backbone interact. energy: 0.249 local terms energy: -390.202844 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -83.537 flat angles P-C4'-P energy: -57.723 tors. eta vs tors. theta energy: -76.472 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: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -950.262247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.262247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.262247 (E_RNA) where: Base-Base interactions energy: -558.887 where: short stacking energy: -292.558 Base-Backbone interact. energy: -1.910 local terms energy: -389.465705 where: bonds (distance) C4'-P energy: -84.062 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -91.814 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: -64.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -963.671221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.671221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.671221 (E_RNA) where: Base-Base interactions energy: -611.065 where: short stacking energy: -296.178 Base-Backbone interact. energy: 1.905 local terms energy: -354.511767 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -87.116 flat angles C4'-P-C4' energy: -80.159 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -48.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -716.629850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.629850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.629850 (E_RNA) where: Base-Base interactions energy: -371.069 where: short stacking energy: -192.834 Base-Backbone interact. energy: 0.913 local terms energy: -346.473583 where: bonds (distance) C4'-P energy: -88.851 bonds (distance) P-C4' energy: -93.435 flat angles C4'-P-C4' energy: -87.440 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: -23.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -532.428859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.428859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.428859 (E_RNA) where: Base-Base interactions energy: -234.323 where: short stacking energy: -160.904 Base-Backbone interact. energy: 1.170 local terms energy: -299.276408 where: bonds (distance) C4'-P energy: -80.183 bonds (distance) P-C4' energy: -79.795 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -50.038 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -485.096513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.096513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.096513 (E_RNA) where: Base-Base interactions energy: -215.648 where: short stacking energy: -131.560 Base-Backbone interact. energy: -0.399 local terms energy: -269.049331 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -86.164 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -34.965 tors. eta vs tors. theta energy: 11.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -380.289489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.289489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.289489 (E_RNA) where: Base-Base interactions energy: -140.649 where: short stacking energy: -134.334 Base-Backbone interact. energy: 8.913 local terms energy: -248.552528 where: bonds (distance) C4'-P energy: -78.685 bonds (distance) P-C4' energy: -79.992 flat angles C4'-P-C4' energy: -47.911 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: 8.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1296.918071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.918071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.918071 (E_RNA) where: Base-Base interactions energy: -818.657 where: short stacking energy: -396.327 Base-Backbone interact. energy: -0.597 local terms energy: -477.664547 where: bonds (distance) C4'-P energy: -93.169 bonds (distance) P-C4' energy: -98.286 flat angles C4'-P-C4' energy: -108.924 flat angles P-C4'-P energy: -67.032 tors. eta vs tors. theta energy: -110.253 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: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1267.091064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.091064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.091064 (E_RNA) where: Base-Base interactions energy: -800.911 where: short stacking energy: -387.608 Base-Backbone interact. energy: -3.255 local terms energy: -462.925069 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -111.222 flat angles C4'-P-C4' energy: -96.760 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: -91.627 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: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1117.629782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.629782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.629782 (E_RNA) where: Base-Base interactions energy: -662.989 where: short stacking energy: -356.432 Base-Backbone interact. energy: -1.966 local terms energy: -452.674875 where: bonds (distance) C4'-P energy: -97.160 bonds (distance) P-C4' energy: -95.641 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -87.668 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: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1048.396507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.396507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.396507 (E_RNA) where: Base-Base interactions energy: -639.074 where: short stacking energy: -312.063 Base-Backbone interact. energy: -0.895 local terms energy: -408.427434 where: bonds (distance) C4'-P energy: -87.666 bonds (distance) P-C4' energy: -102.617 flat angles C4'-P-C4' energy: -101.904 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -63.939 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: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1003.247765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.247765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.247765 (E_RNA) where: Base-Base interactions energy: -603.917 where: short stacking energy: -299.050 Base-Backbone interact. energy: -2.163 local terms energy: -397.168022 where: bonds (distance) C4'-P energy: -91.488 bonds (distance) P-C4' energy: -100.365 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -65.641 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: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1006.704330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.704330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.704330 (E_RNA) where: Base-Base interactions energy: -648.514 where: short stacking energy: -276.803 Base-Backbone interact. energy: -6.350 local terms energy: -351.840135 where: bonds (distance) C4'-P energy: -73.627 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -72.896 flat angles P-C4'-P energy: -53.260 tors. eta vs tors. theta energy: -63.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -834.116521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.116521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.116521 (E_RNA) where: Base-Base interactions energy: -497.144 where: short stacking energy: -250.988 Base-Backbone interact. energy: -1.286 local terms energy: -335.686124 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -75.104 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -55.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -576.907428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.907428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.907428 (E_RNA) where: Base-Base interactions energy: -255.695 where: short stacking energy: -168.504 Base-Backbone interact. energy: -0.713 local terms energy: -320.499010 where: bonds (distance) C4'-P energy: -86.654 bonds (distance) P-C4' energy: -77.017 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -25.815 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: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -528.055457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.055457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.055457 (E_RNA) where: Base-Base interactions energy: -251.422 where: short stacking energy: -178.215 Base-Backbone interact. energy: -2.638 local terms energy: -273.995136 where: bonds (distance) C4'-P energy: -77.040 bonds (distance) P-C4' energy: -73.327 flat angles C4'-P-C4' energy: -77.237 flat angles P-C4'-P energy: -39.830 tors. eta vs tors. theta energy: -6.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -454.317823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.317823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.317823 (E_RNA) where: Base-Base interactions energy: -195.562 where: short stacking energy: -143.327 Base-Backbone interact. energy: 1.951 local terms energy: -260.706044 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -76.055 flat angles C4'-P-C4' energy: -64.839 flat angles P-C4'-P energy: -39.389 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1350.388079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.388079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.388079 (E_RNA) where: Base-Base interactions energy: -883.385 where: short stacking energy: -422.924 Base-Backbone interact. energy: -3.487 local terms energy: -463.516194 where: bonds (distance) C4'-P energy: -94.013 bonds (distance) P-C4' energy: -105.541 flat angles C4'-P-C4' energy: -101.455 flat angles P-C4'-P energy: -63.197 tors. eta vs tors. theta energy: -99.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1331.562271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.562271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.562271 (E_RNA) where: Base-Base interactions energy: -860.956 where: short stacking energy: -398.744 Base-Backbone interact. energy: -0.860 local terms energy: -469.746367 where: bonds (distance) C4'-P energy: -98.890 bonds (distance) P-C4' energy: -112.958 flat angles C4'-P-C4' energy: -103.082 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: -97.479 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: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1079.255610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.255610 (E_RNA) where: Base-Base interactions energy: -657.664 where: short stacking energy: -328.940 Base-Backbone interact. energy: -1.374 local terms energy: -420.217150 where: bonds (distance) C4'-P energy: -88.580 bonds (distance) P-C4' energy: -99.218 flat angles C4'-P-C4' energy: -93.881 flat angles P-C4'-P energy: -63.373 tors. eta vs tors. theta energy: -75.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1112.855768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.855768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.855768 (E_RNA) where: Base-Base interactions energy: -698.382 where: short stacking energy: -321.547 Base-Backbone interact. energy: -2.494 local terms energy: -411.979127 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -95.672 flat angles P-C4'-P energy: -57.931 tors. eta vs tors. theta energy: -76.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -998.189724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.189724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.189724 (E_RNA) where: Base-Base interactions energy: -592.566 where: short stacking energy: -335.112 Base-Backbone interact. energy: -3.509 local terms energy: -402.114711 where: bonds (distance) C4'-P energy: -98.817 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -71.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -993.511809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.511809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.511809 (E_RNA) where: Base-Base interactions energy: -671.693 where: short stacking energy: -291.139 Base-Backbone interact. energy: -0.848 local terms energy: -320.970657 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -81.863 flat angles C4'-P-C4' energy: -74.008 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -36.125 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: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -801.998358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.998358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.998358 (E_RNA) where: Base-Base interactions energy: -452.570 where: short stacking energy: -245.976 Base-Backbone interact. energy: 1.541 local terms energy: -350.969297 where: bonds (distance) C4'-P energy: -84.148 bonds (distance) P-C4' energy: -103.546 flat angles C4'-P-C4' energy: -82.585 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -30.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -569.386337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.386337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.386337 (E_RNA) where: Base-Base interactions energy: -258.706 where: short stacking energy: -200.757 Base-Backbone interact. energy: 0.382 local terms energy: -311.061635 where: bonds (distance) C4'-P energy: -89.723 bonds (distance) P-C4' energy: -85.412 flat angles C4'-P-C4' energy: -70.458 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -14.192 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -481.047496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.047496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.047496 (E_RNA) where: Base-Base interactions energy: -212.533 where: short stacking energy: -162.566 Base-Backbone interact. energy: 1.901 local terms energy: -270.416005 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -81.694 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -41.803 tors. eta vs tors. theta energy: -7.324 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: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -422.170545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.170545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.170545 (E_RNA) where: Base-Base interactions energy: -156.385 where: short stacking energy: -118.830 Base-Backbone interact. energy: 0.090 local terms energy: -265.876167 where: bonds (distance) C4'-P energy: -69.013 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -63.593 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1389.745730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.745730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.745730 (E_RNA) where: Base-Base interactions energy: -904.954 where: short stacking energy: -426.326 Base-Backbone interact. energy: -1.693 local terms energy: -483.098708 where: bonds (distance) C4'-P energy: -103.188 bonds (distance) P-C4' energy: -94.451 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -112.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1351.307015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.307015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.307015 (E_RNA) where: Base-Base interactions energy: -888.809 where: short stacking energy: -406.996 Base-Backbone interact. energy: -3.280 local terms energy: -459.217645 where: bonds (distance) C4'-P energy: -103.556 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -95.739 flat angles P-C4'-P energy: -71.530 tors. eta vs tors. theta energy: -90.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1223.014177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.014177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.014177 (E_RNA) where: Base-Base interactions energy: -811.260 where: short stacking energy: -369.773 Base-Backbone interact. energy: -3.019 local terms energy: -408.735451 where: bonds (distance) C4'-P energy: -103.550 bonds (distance) P-C4' energy: -88.706 flat angles C4'-P-C4' energy: -93.190 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: -82.921 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: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1073.928041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.928041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.928041 (E_RNA) where: Base-Base interactions energy: -659.329 where: short stacking energy: -349.589 Base-Backbone interact. energy: -0.621 local terms energy: -413.977574 where: bonds (distance) C4'-P energy: -79.557 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -88.964 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: -73.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1040.868355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.868355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.868355 (E_RNA) where: Base-Base interactions energy: -665.719 where: short stacking energy: -295.396 Base-Backbone interact. energy: -0.483 local terms energy: -374.666882 where: bonds (distance) C4'-P energy: -78.929 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -88.407 flat angles P-C4'-P energy: -54.381 tors. eta vs tors. theta energy: -61.495 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: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -946.866663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.866663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.866663 (E_RNA) where: Base-Base interactions energy: -562.734 where: short stacking energy: -309.092 Base-Backbone interact. energy: -1.503 local terms energy: -382.629821 where: bonds (distance) C4'-P energy: -88.178 bonds (distance) P-C4' energy: -82.012 flat angles C4'-P-C4' energy: -87.975 flat angles P-C4'-P energy: -61.250 tors. eta vs tors. theta energy: -63.216 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: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -812.860369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.860369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.860369 (E_RNA) where: Base-Base interactions energy: -453.240 where: short stacking energy: -260.948 Base-Backbone interact. energy: -1.144 local terms energy: -358.476482 where: bonds (distance) C4'-P energy: -87.578 bonds (distance) P-C4' energy: -86.691 flat angles C4'-P-C4' energy: -79.809 flat angles P-C4'-P energy: -52.751 tors. eta vs tors. theta energy: -51.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -514.266459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.266459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.266459 (E_RNA) where: Base-Base interactions energy: -215.300 where: short stacking energy: -141.240 Base-Backbone interact. energy: -0.736 local terms energy: -298.230080 where: bonds (distance) C4'-P energy: -96.535 bonds (distance) P-C4' energy: -88.836 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: 10.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -444.324057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.324057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.324057 (E_RNA) where: Base-Base interactions energy: -185.235 where: short stacking energy: -160.534 Base-Backbone interact. energy: 2.595 local terms energy: -261.683694 where: bonds (distance) C4'-P energy: -83.425 bonds (distance) P-C4' energy: -70.623 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -467.669069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.669069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.669069 (E_RNA) where: Base-Base interactions energy: -180.745 where: short stacking energy: -142.227 Base-Backbone interact. energy: 0.713 local terms energy: -287.637435 where: bonds (distance) C4'-P energy: -67.490 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -78.663 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1397.552366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.552366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.552366 (E_RNA) where: Base-Base interactions energy: -953.200 where: short stacking energy: -389.819 Base-Backbone interact. energy: -1.152 local terms energy: -443.200261 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -102.137 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -84.442 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: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1377.211896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.211896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.211896 (E_RNA) where: Base-Base interactions energy: -907.582 where: short stacking energy: -393.107 Base-Backbone interact. energy: 0.269 local terms energy: -469.898897 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -97.800 flat angles C4'-P-C4' energy: -102.594 flat angles P-C4'-P energy: -65.166 tors. eta vs tors. theta energy: -103.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1265.051977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.051977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.051977 (E_RNA) where: Base-Base interactions energy: -854.516 where: short stacking energy: -380.522 Base-Backbone interact. energy: -1.614 local terms energy: -408.922539 where: bonds (distance) C4'-P energy: -74.090 bonds (distance) P-C4' energy: -95.897 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -53.894 tors. eta vs tors. theta energy: -89.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1142.797516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.797516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.797516 (E_RNA) where: Base-Base interactions energy: -734.363 where: short stacking energy: -343.128 Base-Backbone interact. energy: 6.373 local terms energy: -414.806926 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -97.282 flat angles C4'-P-C4' energy: -91.865 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -80.173 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: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1044.731550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.731550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.731550 (E_RNA) where: Base-Base interactions energy: -651.951 where: short stacking energy: -322.522 Base-Backbone interact. energy: -0.198 local terms energy: -392.581618 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -91.794 flat angles P-C4'-P energy: -52.705 tors. eta vs tors. theta energy: -73.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -869.492199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.492199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.492199 (E_RNA) where: Base-Base interactions energy: -504.452 where: short stacking energy: -257.389 Base-Backbone interact. energy: 4.385 local terms energy: -369.425769 where: bonds (distance) C4'-P energy: -87.840 bonds (distance) P-C4' energy: -98.738 flat angles C4'-P-C4' energy: -93.304 flat angles P-C4'-P energy: -61.223 tors. eta vs tors. theta energy: -28.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -854.817073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.817073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.817073 (E_RNA) where: Base-Base interactions energy: -517.718 where: short stacking energy: -243.892 Base-Backbone interact. energy: -0.569 local terms energy: -336.529983 where: bonds (distance) C4'-P energy: -89.526 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -77.743 flat angles P-C4'-P energy: -48.108 tors. eta vs tors. theta energy: -47.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -511.369275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.369275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.369275 (E_RNA) where: Base-Base interactions energy: -231.558 where: short stacking energy: -166.778 Base-Backbone interact. energy: -1.683 local terms energy: -278.128387 where: bonds (distance) C4'-P energy: -74.924 bonds (distance) P-C4' energy: -95.189 flat angles C4'-P-C4' energy: -62.964 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -511.120864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.120864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.120864 (E_RNA) where: Base-Base interactions energy: -231.568 where: short stacking energy: -153.720 Base-Backbone interact. energy: -1.977 local terms energy: -277.575904 where: bonds (distance) C4'-P energy: -91.837 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -79.431 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: 9.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -409.240854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.240854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.240854 (E_RNA) where: Base-Base interactions energy: -140.068 where: short stacking energy: -118.536 Base-Backbone interact. energy: 0.933 local terms energy: -270.106282 where: bonds (distance) C4'-P energy: -82.711 bonds (distance) P-C4' energy: -93.493 flat angles C4'-P-C4' energy: -59.348 flat angles P-C4'-P energy: -41.871 tors. eta vs tors. theta energy: 7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1438.284026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.284026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.284026 (E_RNA) where: Base-Base interactions energy: -936.512 where: short stacking energy: -432.666 Base-Backbone interact. energy: -1.161 local terms energy: -500.610585 where: bonds (distance) C4'-P energy: -99.875 bonds (distance) P-C4' energy: -105.000 flat angles C4'-P-C4' energy: -122.298 flat angles P-C4'-P energy: -64.187 tors. eta vs tors. theta energy: -109.251 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1424.881437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.881437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.881437 (E_RNA) where: Base-Base interactions energy: -954.288 where: short stacking energy: -430.064 Base-Backbone interact. energy: -3.977 local terms energy: -466.617067 where: bonds (distance) C4'-P energy: -106.497 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -99.632 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -114.513 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: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1341.677946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.677946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.677946 (E_RNA) where: Base-Base interactions energy: -867.896 where: short stacking energy: -404.875 Base-Backbone interact. energy: -2.808 local terms energy: -470.974383 where: bonds (distance) C4'-P energy: -89.476 bonds (distance) P-C4' energy: -90.752 flat angles C4'-P-C4' energy: -111.368 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -108.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1162.301718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.301718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.301718 (E_RNA) where: Base-Base interactions energy: -758.606 where: short stacking energy: -308.989 Base-Backbone interact. energy: 1.648 local terms energy: -405.343550 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -93.484 flat angles C4'-P-C4' energy: -91.933 flat angles P-C4'-P energy: -74.066 tors. eta vs tors. theta energy: -59.260 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: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1037.673696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.673696 (E_RNA) where: Base-Base interactions energy: -656.414 where: short stacking energy: -326.719 Base-Backbone interact. energy: -1.108 local terms energy: -380.151501 where: bonds (distance) C4'-P energy: -82.584 bonds (distance) P-C4' energy: -92.412 flat angles C4'-P-C4' energy: -92.638 flat angles P-C4'-P energy: -47.822 tors. eta vs tors. theta energy: -64.696 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: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -916.952175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.952175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.952175 (E_RNA) where: Base-Base interactions energy: -540.872 where: short stacking energy: -272.805 Base-Backbone interact. energy: -0.708 local terms energy: -375.371268 where: bonds (distance) C4'-P energy: -92.379 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -87.731 flat angles P-C4'-P energy: -59.461 tors. eta vs tors. theta energy: -48.762 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: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -852.251513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.251513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.251513 (E_RNA) where: Base-Base interactions energy: -504.116 where: short stacking energy: -264.339 Base-Backbone interact. energy: -1.786 local terms energy: -346.349284 where: bonds (distance) C4'-P energy: -94.523 bonds (distance) P-C4' energy: -88.124 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: -41.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -590.546536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.546536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.546536 (E_RNA) where: Base-Base interactions energy: -301.776 where: short stacking energy: -191.872 Base-Backbone interact. energy: 0.600 local terms energy: -289.370137 where: bonds (distance) C4'-P energy: -86.700 bonds (distance) P-C4' energy: -84.846 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -29.492 tors. eta vs tors. theta energy: -9.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -527.647399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.647399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.647399 (E_RNA) where: Base-Base interactions energy: -249.905 where: short stacking energy: -165.580 Base-Backbone interact. energy: -0.838 local terms energy: -276.904473 where: bonds (distance) C4'-P energy: -84.804 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -68.438 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: 0.630 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: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -460.055582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.055582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.055582 (E_RNA) where: Base-Base interactions energy: -194.709 where: short stacking energy: -127.115 Base-Backbone interact. energy: 0.148 local terms energy: -265.494954 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -37.955 tors. eta vs tors. theta energy: 6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1403.984359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.984359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.984359 (E_RNA) where: Base-Base interactions energy: -917.473 where: short stacking energy: -407.145 Base-Backbone interact. energy: -2.296 local terms energy: -484.215315 where: bonds (distance) C4'-P energy: -87.110 bonds (distance) P-C4' energy: -100.258 flat angles C4'-P-C4' energy: -118.184 flat angles P-C4'-P energy: -71.836 tors. eta vs tors. theta energy: -106.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1427.630529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.630529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.630529 (E_RNA) where: Base-Base interactions energy: -971.456 where: short stacking energy: -436.327 Base-Backbone interact. energy: 0.454 local terms energy: -456.628594 where: bonds (distance) C4'-P energy: -91.537 bonds (distance) P-C4' energy: -89.006 flat angles C4'-P-C4' energy: -105.261 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -106.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1382.722671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.722671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.722671 (E_RNA) where: Base-Base interactions energy: -933.319 where: short stacking energy: -403.218 Base-Backbone interact. energy: -2.357 local terms energy: -447.046002 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -94.223 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -98.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1188.886252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.886252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.886252 (E_RNA) where: Base-Base interactions energy: -801.709 where: short stacking energy: -354.118 Base-Backbone interact. energy: 0.444 local terms energy: -387.621210 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: -70.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1054.218610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.218610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.218610 (E_RNA) where: Base-Base interactions energy: -667.042 where: short stacking energy: -293.370 Base-Backbone interact. energy: -0.843 local terms energy: -386.334467 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -105.224 flat angles C4'-P-C4' energy: -79.610 flat angles P-C4'-P energy: -49.131 tors. eta vs tors. theta energy: -75.353 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: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -921.174726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.174726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.174726 (E_RNA) where: Base-Base interactions energy: -561.391 where: short stacking energy: -295.338 Base-Backbone interact. energy: -3.451 local terms energy: -356.332779 where: bonds (distance) C4'-P energy: -91.667 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -91.961 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -36.591 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: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -854.851953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.851953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.851953 (E_RNA) where: Base-Base interactions energy: -530.486 where: short stacking energy: -273.521 Base-Backbone interact. energy: 7.001 local terms energy: -331.366132 where: bonds (distance) C4'-P energy: -81.708 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -62.347 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -53.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -577.460858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.460858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.460858 (E_RNA) where: Base-Base interactions energy: -290.155 where: short stacking energy: -201.200 Base-Backbone interact. energy: -1.587 local terms energy: -285.719075 where: bonds (distance) C4'-P energy: -81.221 bonds (distance) P-C4' energy: -76.723 flat angles C4'-P-C4' energy: -70.821 flat angles P-C4'-P energy: -39.791 tors. eta vs tors. theta energy: -17.163 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: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -506.535102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.535102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.535102 (E_RNA) where: Base-Base interactions energy: -235.163 where: short stacking energy: -160.943 Base-Backbone interact. energy: -0.786 local terms energy: -270.586438 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -84.525 flat angles C4'-P-C4' energy: -78.438 flat angles P-C4'-P energy: -36.416 tors. eta vs tors. theta energy: 1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -413.605237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.605237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.605237 (E_RNA) where: Base-Base interactions energy: -168.590 where: short stacking energy: -125.970 Base-Backbone interact. energy: -0.969 local terms energy: -244.046797 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -60.445 flat angles P-C4'-P energy: -32.890 tors. eta vs tors. theta energy: 19.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1472.714120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.714120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.714120 (E_RNA) where: Base-Base interactions energy: -979.290 where: short stacking energy: -449.369 Base-Backbone interact. energy: 0.527 local terms energy: -493.950209 where: bonds (distance) C4'-P energy: -85.802 bonds (distance) P-C4' energy: -105.361 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -119.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1378.035874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.035874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.035874 (E_RNA) where: Base-Base interactions energy: -892.047 where: short stacking energy: -413.620 Base-Backbone interact. energy: -1.000 local terms energy: -484.988820 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -94.817 flat angles C4'-P-C4' energy: -109.658 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -110.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1394.871244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.871244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.871244 (E_RNA) where: Base-Base interactions energy: -944.682 where: short stacking energy: -408.437 Base-Backbone interact. energy: -2.522 local terms energy: -447.666400 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -102.028 flat angles C4'-P-C4' energy: -97.626 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -108.936 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1216.579188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.579188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.579188 (E_RNA) where: Base-Base interactions energy: -793.487 where: short stacking energy: -348.383 Base-Backbone interact. energy: -2.845 local terms energy: -420.247301 where: bonds (distance) C4'-P energy: -93.072 bonds (distance) P-C4' energy: -96.639 flat angles C4'-P-C4' energy: -101.521 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -71.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1046.512620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.512620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.512620 (E_RNA) where: Base-Base interactions energy: -635.889 where: short stacking energy: -311.568 Base-Backbone interact. energy: -2.068 local terms energy: -408.555667 where: bonds (distance) C4'-P energy: -101.265 bonds (distance) P-C4' energy: -90.317 flat angles C4'-P-C4' energy: -98.997 flat angles P-C4'-P energy: -55.023 tors. eta vs tors. theta energy: -62.954 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: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -967.520713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.520713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.520713 (E_RNA) where: Base-Base interactions energy: -584.949 where: short stacking energy: -309.607 Base-Backbone interact. energy: -3.477 local terms energy: -379.094871 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -87.339 flat angles C4'-P-C4' energy: -93.214 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -61.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -842.379597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.379597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.379597 (E_RNA) where: Base-Base interactions energy: -521.446 where: short stacking energy: -240.615 Base-Backbone interact. energy: -1.449 local terms energy: -319.484377 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -95.220 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -23.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -635.140616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.140616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.140616 (E_RNA) where: Base-Base interactions energy: -349.235 where: short stacking energy: -186.904 Base-Backbone interact. energy: -2.440 local terms energy: -283.465472 where: bonds (distance) C4'-P energy: -85.426 bonds (distance) P-C4' energy: -77.756 flat angles C4'-P-C4' energy: -58.164 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -16.423 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -581.880309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.880309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.880309 (E_RNA) where: Base-Base interactions energy: -331.426 where: short stacking energy: -203.018 Base-Backbone interact. energy: 0.975 local terms energy: -251.428884 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -78.185 flat angles C4'-P-C4' energy: -70.806 flat angles P-C4'-P energy: -25.269 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -400.593445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.593445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.593445 (E_RNA) where: Base-Base interactions energy: -154.657 where: short stacking energy: -138.735 Base-Backbone interact. energy: 7.562 local terms energy: -253.498139 where: bonds (distance) C4'-P energy: -72.460 bonds (distance) P-C4' energy: -87.376 flat angles C4'-P-C4' energy: -68.572 flat angles P-C4'-P energy: -27.303 tors. eta vs tors. theta energy: 2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1486.803178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.803178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.803178 (E_RNA) where: Base-Base interactions energy: -984.894 where: short stacking energy: -451.224 Base-Backbone interact. energy: -0.588 local terms energy: -501.321292 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -106.789 flat angles C4'-P-C4' energy: -117.744 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -118.594 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: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1406.626756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.626756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.626756 (E_RNA) where: Base-Base interactions energy: -948.910 where: short stacking energy: -409.109 Base-Backbone interact. energy: 0.536 local terms energy: -458.252476 where: bonds (distance) C4'-P energy: -94.377 bonds (distance) P-C4' energy: -88.891 flat angles C4'-P-C4' energy: -102.855 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -99.576 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: 9 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1347.515579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.515579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.515579 (E_RNA) where: Base-Base interactions energy: -902.291 where: short stacking energy: -395.360 Base-Backbone interact. energy: -1.509 local terms energy: -443.715625 where: bonds (distance) C4'-P energy: -96.590 bonds (distance) P-C4' energy: -97.055 flat angles C4'-P-C4' energy: -93.426 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -96.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1154.354582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.354582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.354582 (E_RNA) where: Base-Base interactions energy: -759.379 where: short stacking energy: -348.321 Base-Backbone interact. energy: -1.161 local terms energy: -393.815148 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -93.590 flat angles C4'-P-C4' energy: -93.341 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: -65.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1005.980648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.980648 (E_RNA) where: Base-Base interactions energy: -617.835 where: short stacking energy: -342.741 Base-Backbone interact. energy: 1.594 local terms energy: -389.740351 where: bonds (distance) C4'-P energy: -88.574 bonds (distance) P-C4' energy: -103.875 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -65.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -926.854677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.854677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.854677 (E_RNA) where: Base-Base interactions energy: -562.840 where: short stacking energy: -269.957 Base-Backbone interact. energy: 1.408 local terms energy: -365.422794 where: bonds (distance) C4'-P energy: -94.576 bonds (distance) P-C4' energy: -85.336 flat angles C4'-P-C4' energy: -89.811 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -47.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -927.271168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.271168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.271168 (E_RNA) where: Base-Base interactions energy: -560.705 where: short stacking energy: -297.421 Base-Backbone interact. energy: -0.307 local terms energy: -366.259925 where: bonds (distance) C4'-P energy: -72.604 bonds (distance) P-C4' energy: -94.050 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -62.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -645.783187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.783187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.783187 (E_RNA) where: Base-Base interactions energy: -338.119 where: short stacking energy: -180.315 Base-Backbone interact. energy: -0.374 local terms energy: -307.290136 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -90.176 flat angles C4'-P-C4' energy: -77.385 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -28.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -585.162393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.162393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.162393 (E_RNA) where: Base-Base interactions energy: -283.721 where: short stacking energy: -181.837 Base-Backbone interact. energy: 0.087 local terms energy: -301.527603 where: bonds (distance) C4'-P energy: -83.783 bonds (distance) P-C4' energy: -91.827 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -423.342768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.342768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.342768 (E_RNA) where: Base-Base interactions energy: -194.993 where: short stacking energy: -158.538 Base-Backbone interact. energy: 0.469 local terms energy: -228.818991 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -75.681 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -34.066 tors. eta vs tors. theta energy: 8.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1535.355700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.355700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.355700 (E_RNA) where: Base-Base interactions energy: -1040.892 where: short stacking energy: -452.230 Base-Backbone interact. energy: -1.543 local terms energy: -492.921209 where: bonds (distance) C4'-P energy: -108.050 bonds (distance) P-C4' energy: -94.841 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -118.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1399.819624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.819624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.819624 (E_RNA) where: Base-Base interactions energy: -940.078 where: short stacking energy: -403.056 Base-Backbone interact. energy: -3.121 local terms energy: -456.620806 where: bonds (distance) C4'-P energy: -83.986 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -90.494 flat angles P-C4'-P energy: -70.549 tors. eta vs tors. theta energy: -101.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1340.626905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.626905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.626905 (E_RNA) where: Base-Base interactions energy: -882.959 where: short stacking energy: -397.798 Base-Backbone interact. energy: 0.546 local terms energy: -458.213474 where: bonds (distance) C4'-P energy: -89.983 bonds (distance) P-C4' energy: -100.692 flat angles C4'-P-C4' energy: -100.660 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -101.696 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: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1147.199613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.199613 (E_RNA) where: Base-Base interactions energy: -746.424 where: short stacking energy: -326.492 Base-Backbone interact. energy: -2.173 local terms energy: -398.602975 where: bonds (distance) C4'-P energy: -88.006 bonds (distance) P-C4' energy: -84.082 flat angles C4'-P-C4' energy: -85.935 flat angles P-C4'-P energy: -68.985 tors. eta vs tors. theta energy: -71.595 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: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1052.439757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.439757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.439757 (E_RNA) where: Base-Base interactions energy: -660.607 where: short stacking energy: -317.779 Base-Backbone interact. energy: 1.039 local terms energy: -392.871761 where: bonds (distance) C4'-P energy: -80.817 bonds (distance) P-C4' energy: -96.322 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -63.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -893.216308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.216308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.216308 (E_RNA) where: Base-Base interactions energy: -537.865 where: short stacking energy: -294.138 Base-Backbone interact. energy: -2.113 local terms energy: -353.237956 where: bonds (distance) C4'-P energy: -72.705 bonds (distance) P-C4' energy: -91.349 flat angles C4'-P-C4' energy: -88.443 flat angles P-C4'-P energy: -55.943 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: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -918.264248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.264248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.264248 (E_RNA) where: Base-Base interactions energy: -583.298 where: short stacking energy: -285.786 Base-Backbone interact. energy: 0.094 local terms energy: -335.060322 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -84.786 flat angles C4'-P-C4' energy: -68.427 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -44.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -704.337436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.337436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.337436 (E_RNA) where: Base-Base interactions energy: -380.771 where: short stacking energy: -233.772 Base-Backbone interact. energy: -2.189 local terms energy: -321.377692 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -86.366 flat angles C4'-P-C4' energy: -80.756 flat angles P-C4'-P energy: -53.858 tors. eta vs tors. theta energy: -36.215 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: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -636.148710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.148710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.148710 (E_RNA) where: Base-Base interactions energy: -338.674 where: short stacking energy: -178.767 Base-Backbone interact. energy: -3.803 local terms energy: -293.672425 where: bonds (distance) C4'-P energy: -73.683 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -76.503 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -463.091068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.091068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.091068 (E_RNA) where: Base-Base interactions energy: -217.244 where: short stacking energy: -147.129 Base-Backbone interact. energy: 0.986 local terms energy: -246.832742 where: bonds (distance) C4'-P energy: -70.801 bonds (distance) P-C4' energy: -72.316 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: 15.456 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: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1500.186390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.186390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.186390 (E_RNA) where: Base-Base interactions energy: -1014.919 where: short stacking energy: -452.453 Base-Backbone interact. energy: 1.556 local terms energy: -486.823871 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -109.195 flat angles C4'-P-C4' energy: -111.496 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -115.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1421.998147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.998147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.998147 (E_RNA) where: Base-Base interactions energy: -970.014 where: short stacking energy: -409.499 Base-Backbone interact. energy: -1.368 local terms energy: -450.616198 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -92.712 flat angles C4'-P-C4' energy: -104.743 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -96.818 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: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1310.414403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.414403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.414403 (E_RNA) where: Base-Base interactions energy: -869.626 where: short stacking energy: -386.658 Base-Backbone interact. energy: 4.896 local terms energy: -445.684904 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -95.512 flat angles C4'-P-C4' energy: -100.096 flat angles P-C4'-P energy: -69.400 tors. eta vs tors. theta energy: -89.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1131.926222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.926222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.926222 (E_RNA) where: Base-Base interactions energy: -702.327 where: short stacking energy: -349.451 Base-Backbone interact. energy: -1.258 local terms energy: -428.341667 where: bonds (distance) C4'-P energy: -97.845 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -103.930 flat angles P-C4'-P energy: -48.074 tors. eta vs tors. theta energy: -88.149 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: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1034.524061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.524061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.524061 (E_RNA) where: Base-Base interactions energy: -649.169 where: short stacking energy: -333.183 Base-Backbone interact. energy: -0.796 local terms energy: -384.558892 where: bonds (distance) C4'-P energy: -86.603 bonds (distance) P-C4' energy: -74.017 flat angles C4'-P-C4' energy: -92.914 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -67.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -991.219836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.219836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.219836 (E_RNA) where: Base-Base interactions energy: -614.958 where: short stacking energy: -285.776 Base-Backbone interact. energy: -0.982 local terms energy: -375.279771 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -96.322 flat angles C4'-P-C4' energy: -87.692 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -49.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -864.287443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.287443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.287443 (E_RNA) where: Base-Base interactions energy: -518.252 where: short stacking energy: -253.882 Base-Backbone interact. energy: -3.741 local terms energy: -342.294108 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -86.740 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -44.379 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: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -680.537967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.537967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.537967 (E_RNA) where: Base-Base interactions energy: -364.968 where: short stacking energy: -221.909 Base-Backbone interact. energy: 1.276 local terms energy: -316.845379 where: bonds (distance) C4'-P energy: -79.735 bonds (distance) P-C4' energy: -84.325 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -34.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -597.962413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.962413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.962413 (E_RNA) where: Base-Base interactions energy: -306.422 where: short stacking energy: -172.404 Base-Backbone interact. energy: -2.117 local terms energy: -289.423361 where: bonds (distance) C4'-P energy: -70.096 bonds (distance) P-C4' energy: -84.992 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -50.153 tors. eta vs tors. theta energy: -16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -464.034194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.034194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.034194 (E_RNA) where: Base-Base interactions energy: -209.857 where: short stacking energy: -143.593 Base-Backbone interact. energy: 3.503 local terms energy: -257.680859 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -70.299 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: 12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1521.258290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.258290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.258290 (E_RNA) where: Base-Base interactions energy: -1036.646 where: short stacking energy: -451.469 Base-Backbone interact. energy: -2.164 local terms energy: -482.448243 where: bonds (distance) C4'-P energy: -88.761 bonds (distance) P-C4' energy: -109.197 flat angles C4'-P-C4' energy: -108.452 flat angles P-C4'-P energy: -66.670 tors. eta vs tors. theta energy: -109.368 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: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1451.978794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.978794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.978794 (E_RNA) where: Base-Base interactions energy: -984.679 where: short stacking energy: -452.305 Base-Backbone interact. energy: 0.455 local terms energy: -467.755457 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -90.293 flat angles C4'-P-C4' energy: -101.072 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -114.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1363.891527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.891527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.891527 (E_RNA) where: Base-Base interactions energy: -937.873 where: short stacking energy: -392.129 Base-Backbone interact. energy: -0.340 local terms energy: -425.678921 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -85.287 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -92.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1115.084667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.084667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.084667 (E_RNA) where: Base-Base interactions energy: -712.563 where: short stacking energy: -346.281 Base-Backbone interact. energy: -2.333 local terms energy: -400.187995 where: bonds (distance) C4'-P energy: -87.716 bonds (distance) P-C4' energy: -95.726 flat angles C4'-P-C4' energy: -94.070 flat angles P-C4'-P energy: -62.695 tors. eta vs tors. theta energy: -59.982 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: 24 Temperature: 1.100000 Total energy: -1051.768194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.768194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.768194 (E_RNA) where: Base-Base interactions energy: -660.942 where: short stacking energy: -341.002 Base-Backbone interact. energy: -1.865 local terms energy: -388.961058 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -89.311 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -68.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1005.490696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.490696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.490696 (E_RNA) where: Base-Base interactions energy: -641.287 where: short stacking energy: -304.644 Base-Backbone interact. energy: -1.753 local terms energy: -362.451098 where: bonds (distance) C4'-P energy: -78.935 bonds (distance) P-C4' energy: -84.179 flat angles C4'-P-C4' energy: -75.900 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -66.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -892.618376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.618376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.618376 (E_RNA) where: Base-Base interactions energy: -537.238 where: short stacking energy: -267.738 Base-Backbone interact. energy: -1.327 local terms energy: -354.053601 where: bonds (distance) C4'-P energy: -67.613 bonds (distance) P-C4' energy: -98.572 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -44.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -680.746789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.746789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.746789 (E_RNA) where: Base-Base interactions energy: -355.379 where: short stacking energy: -210.160 Base-Backbone interact. energy: 0.274 local terms energy: -325.641325 where: bonds (distance) C4'-P energy: -86.430 bonds (distance) P-C4' energy: -80.421 flat angles C4'-P-C4' energy: -64.606 flat angles P-C4'-P energy: -54.586 tors. eta vs tors. theta energy: -39.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -601.327629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.327629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.327629 (E_RNA) where: Base-Base interactions energy: -336.263 where: short stacking energy: -182.366 Base-Backbone interact. energy: 0.770 local terms energy: -265.834977 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -83.611 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: 2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -413.014057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.014057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.014057 (E_RNA) where: Base-Base interactions energy: -137.707 where: short stacking energy: -120.594 Base-Backbone interact. energy: 2.202 local terms energy: -277.509947 where: bonds (distance) C4'-P energy: -81.355 bonds (distance) P-C4' energy: -89.775 flat angles C4'-P-C4' energy: -75.637 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: 7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1483.445222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.445222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.445222 (E_RNA) where: Base-Base interactions energy: -994.082 where: short stacking energy: -428.464 Base-Backbone interact. energy: -3.721 local terms energy: -485.641949 where: bonds (distance) C4'-P energy: -102.835 bonds (distance) P-C4' energy: -98.527 flat angles C4'-P-C4' energy: -114.278 flat angles P-C4'-P energy: -63.066 tors. eta vs tors. theta energy: -106.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1477.652285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.652285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.652285 (E_RNA) where: Base-Base interactions energy: -991.479 where: short stacking energy: -447.137 Base-Backbone interact. energy: -3.597 local terms energy: -482.576327 where: bonds (distance) C4'-P energy: -96.039 bonds (distance) P-C4' energy: -87.972 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -116.272 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: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1378.453552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.453552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.453552 (E_RNA) where: Base-Base interactions energy: -934.059 where: short stacking energy: -420.115 Base-Backbone interact. energy: -0.862 local terms energy: -443.532274 where: bonds (distance) C4'-P energy: -93.695 bonds (distance) P-C4' energy: -87.351 flat angles C4'-P-C4' energy: -99.688 flat angles P-C4'-P energy: -52.630 tors. eta vs tors. theta energy: -110.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1145.921600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.921600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.921600 (E_RNA) where: Base-Base interactions energy: -753.942 where: short stacking energy: -368.082 Base-Backbone interact. energy: -0.583 local terms energy: -391.396198 where: bonds (distance) C4'-P energy: -71.744 bonds (distance) P-C4' energy: -91.627 flat angles C4'-P-C4' energy: -97.642 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -72.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1069.877796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.877796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.877796 (E_RNA) where: Base-Base interactions energy: -660.092 where: short stacking energy: -333.788 Base-Backbone interact. energy: 0.718 local terms energy: -410.503815 where: bonds (distance) C4'-P energy: -86.819 bonds (distance) P-C4' energy: -95.886 flat angles C4'-P-C4' energy: -92.103 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: -77.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1003.660590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.660590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.660590 (E_RNA) where: Base-Base interactions energy: -635.554 where: short stacking energy: -286.644 Base-Backbone interact. energy: 0.709 local terms energy: -368.815531 where: bonds (distance) C4'-P energy: -85.753 bonds (distance) P-C4' energy: -82.915 flat angles C4'-P-C4' energy: -82.954 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: -57.951 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: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -846.346256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.346256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.346256 (E_RNA) where: Base-Base interactions energy: -529.083 where: short stacking energy: -269.629 Base-Backbone interact. energy: 3.980 local terms energy: -321.243254 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -65.479 flat angles C4'-P-C4' energy: -93.374 flat angles P-C4'-P energy: -50.005 tors. eta vs tors. theta energy: -33.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -707.330147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.330147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.330147 (E_RNA) where: Base-Base interactions energy: -390.010 where: short stacking energy: -226.003 Base-Backbone interact. energy: -0.063 local terms energy: -317.257116 where: bonds (distance) C4'-P energy: -70.093 bonds (distance) P-C4' energy: -81.802 flat angles C4'-P-C4' energy: -77.982 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: -30.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -607.432500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.432500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.432500 (E_RNA) where: Base-Base interactions energy: -342.650 where: short stacking energy: -187.978 Base-Backbone interact. energy: 0.121 local terms energy: -264.903240 where: bonds (distance) C4'-P energy: -60.931 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -72.062 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -403.283329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.283329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.283329 (E_RNA) where: Base-Base interactions energy: -173.903 where: short stacking energy: -168.356 Base-Backbone interact. energy: 3.848 local terms energy: -233.227611 where: bonds (distance) C4'-P energy: -71.642 bonds (distance) P-C4' energy: -73.301 flat angles C4'-P-C4' energy: -44.396 flat angles P-C4'-P energy: -36.499 tors. eta vs tors. theta energy: -7.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1504.162716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.162716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.162716 (E_RNA) where: Base-Base interactions energy: -1033.018 where: short stacking energy: -433.866 Base-Backbone interact. energy: -3.149 local terms energy: -467.995884 where: bonds (distance) C4'-P energy: -95.397 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -109.394 flat angles P-C4'-P energy: -69.016 tors. eta vs tors. theta energy: -102.946 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: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1489.885861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.885861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.885861 (E_RNA) where: Base-Base interactions energy: -1012.465 where: short stacking energy: -461.761 Base-Backbone interact. energy: -3.318 local terms energy: -474.102828 where: bonds (distance) C4'-P energy: -83.325 bonds (distance) P-C4' energy: -100.092 flat angles C4'-P-C4' energy: -96.943 flat angles P-C4'-P energy: -77.736 tors. eta vs tors. theta energy: -116.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1392.119888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.119888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.119888 (E_RNA) where: Base-Base interactions energy: -908.336 where: short stacking energy: -440.186 Base-Backbone interact. energy: -2.844 local terms energy: -480.939880 where: bonds (distance) C4'-P energy: -99.647 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -102.557 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -116.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1208.494918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.494918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.494918 (E_RNA) where: Base-Base interactions energy: -774.768 where: short stacking energy: -381.335 Base-Backbone interact. energy: -1.938 local terms energy: -431.788966 where: bonds (distance) C4'-P energy: -87.050 bonds (distance) P-C4' energy: -104.627 flat angles C4'-P-C4' energy: -90.382 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -83.964 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1085.714424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.714424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.714424 (E_RNA) where: Base-Base interactions energy: -691.203 where: short stacking energy: -342.331 Base-Backbone interact. energy: 1.239 local terms energy: -395.750658 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -82.212 flat angles C4'-P-C4' energy: -89.941 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: -69.886 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: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1042.550826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.550826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.550826 (E_RNA) where: Base-Base interactions energy: -674.787 where: short stacking energy: -320.358 Base-Backbone interact. energy: -1.824 local terms energy: -365.939733 where: bonds (distance) C4'-P energy: -92.366 bonds (distance) P-C4' energy: -81.789 flat angles C4'-P-C4' energy: -86.257 flat angles P-C4'-P energy: -41.195 tors. eta vs tors. theta energy: -64.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -886.579634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.579634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.579634 (E_RNA) where: Base-Base interactions energy: -518.347 where: short stacking energy: -247.427 Base-Backbone interact. energy: -1.701 local terms energy: -366.531656 where: bonds (distance) C4'-P energy: -87.116 bonds (distance) P-C4' energy: -76.200 flat angles C4'-P-C4' energy: -94.935 flat angles P-C4'-P energy: -65.375 tors. eta vs tors. theta energy: -42.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -675.369124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.369124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.369124 (E_RNA) where: Base-Base interactions energy: -338.490 where: short stacking energy: -174.650 Base-Backbone interact. energy: -1.409 local terms energy: -335.469869 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -93.096 flat angles C4'-P-C4' energy: -74.359 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -29.781 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: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -632.057432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.057432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.057432 (E_RNA) where: Base-Base interactions energy: -324.500 where: short stacking energy: -179.714 Base-Backbone interact. energy: -0.384 local terms energy: -307.172730 where: bonds (distance) C4'-P energy: -86.622 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -404.393478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.393478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.393478 (E_RNA) where: Base-Base interactions energy: -139.060 where: short stacking energy: -112.069 Base-Backbone interact. energy: 1.518 local terms energy: -266.851539 where: bonds (distance) C4'-P energy: -68.733 bonds (distance) P-C4' energy: -92.856 flat angles C4'-P-C4' energy: -78.980 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: 9.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1518.553488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.553488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.553488 (E_RNA) where: Base-Base interactions energy: -1049.289 where: short stacking energy: -434.064 Base-Backbone interact. energy: -1.520 local terms energy: -467.744319 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -109.510 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -101.179 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: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1490.767592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.767592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.767592 (E_RNA) where: Base-Base interactions energy: -1004.133 where: short stacking energy: -450.383 Base-Backbone interact. energy: -0.290 local terms energy: -486.344873 where: bonds (distance) C4'-P energy: -86.027 bonds (distance) P-C4' energy: -104.352 flat angles C4'-P-C4' energy: -112.494 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -114.165 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: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1405.446255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.446255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.446255 (E_RNA) where: Base-Base interactions energy: -934.220 where: short stacking energy: -435.826 Base-Backbone interact. energy: -1.412 local terms energy: -469.814071 where: bonds (distance) C4'-P energy: -106.321 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -106.858 flat angles P-C4'-P energy: -61.280 tors. eta vs tors. theta energy: -107.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1292.413022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.413022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.413022 (E_RNA) where: Base-Base interactions energy: -865.545 where: short stacking energy: -395.797 Base-Backbone interact. energy: -2.789 local terms energy: -424.079138 where: bonds (distance) C4'-P energy: -95.060 bonds (distance) P-C4' energy: -95.171 flat angles C4'-P-C4' energy: -97.333 flat angles P-C4'-P energy: -53.453 tors. eta vs tors. theta energy: -83.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1081.614202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.614202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.614202 (E_RNA) where: Base-Base interactions energy: -695.523 where: short stacking energy: -331.506 Base-Backbone interact. energy: 1.690 local terms energy: -387.780922 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -84.568 flat angles C4'-P-C4' energy: -93.494 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -73.005 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: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1014.907959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.907959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.907959 (E_RNA) where: Base-Base interactions energy: -633.198 where: short stacking energy: -310.968 Base-Backbone interact. energy: -1.523 local terms energy: -380.187091 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -77.978 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -54.491 tors. eta vs tors. theta energy: -74.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -936.157662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.157662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.157662 (E_RNA) where: Base-Base interactions energy: -591.328 where: short stacking energy: -277.143 Base-Backbone interact. energy: -2.698 local terms energy: -342.131213 where: bonds (distance) C4'-P energy: -73.721 bonds (distance) P-C4' energy: -92.608 flat angles C4'-P-C4' energy: -85.918 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: -44.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -653.472430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.472430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.472430 (E_RNA) where: Base-Base interactions energy: -364.492 where: short stacking energy: -184.366 Base-Backbone interact. energy: -1.840 local terms energy: -287.140829 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -93.708 flat angles C4'-P-C4' energy: -68.425 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -5.246 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: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -631.148775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.148775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.148775 (E_RNA) where: Base-Base interactions energy: -342.114 where: short stacking energy: -193.627 Base-Backbone interact. energy: -0.792 local terms energy: -288.242371 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -63.214 flat angles P-C4'-P energy: -44.093 tors. eta vs tors. theta energy: -11.364 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: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -402.548244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.548244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.548244 (E_RNA) where: Base-Base interactions energy: -132.770 where: short stacking energy: -107.264 Base-Backbone interact. energy: -2.570 local terms energy: -267.208552 where: bonds (distance) C4'-P energy: -74.638 bonds (distance) P-C4' energy: -81.081 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: 16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1510.291636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.291636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.291636 (E_RNA) where: Base-Base interactions energy: -1023.483 where: short stacking energy: -430.139 Base-Backbone interact. energy: 0.700 local terms energy: -487.508722 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -110.017 flat angles P-C4'-P energy: -73.514 tors. eta vs tors. theta energy: -103.239 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1468.909685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.909685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.909685 (E_RNA) where: Base-Base interactions energy: -972.791 where: short stacking energy: -439.343 Base-Backbone interact. energy: -4.321 local terms energy: -491.797996 where: bonds (distance) C4'-P energy: -93.986 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -103.652 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -113.375 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: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1392.903953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.903953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.903953 (E_RNA) where: Base-Base interactions energy: -925.666 where: short stacking energy: -435.935 Base-Backbone interact. energy: -1.725 local terms energy: -465.512672 where: bonds (distance) C4'-P energy: -93.064 bonds (distance) P-C4' energy: -102.386 flat angles C4'-P-C4' energy: -89.086 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: -113.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1298.536337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.536337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.536337 (E_RNA) where: Base-Base interactions energy: -862.095 where: short stacking energy: -402.455 Base-Backbone interact. energy: -3.499 local terms energy: -432.941949 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -99.717 flat angles C4'-P-C4' energy: -101.031 flat angles P-C4'-P energy: -58.552 tors. eta vs tors. theta energy: -100.088 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: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1053.536227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.536227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.536227 (E_RNA) where: Base-Base interactions energy: -656.962 where: short stacking energy: -307.239 Base-Backbone interact. energy: -3.768 local terms energy: -392.806536 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -76.579 flat angles C4'-P-C4' energy: -105.012 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -59.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1008.846973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.846973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.846973 (E_RNA) where: Base-Base interactions energy: -645.593 where: short stacking energy: -323.020 Base-Backbone interact. energy: -1.314 local terms energy: -361.940247 where: bonds (distance) C4'-P energy: -71.543 bonds (distance) P-C4' energy: -82.959 flat angles C4'-P-C4' energy: -89.968 flat angles P-C4'-P energy: -41.521 tors. eta vs tors. theta energy: -75.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -958.630490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.630490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.630490 (E_RNA) where: Base-Base interactions energy: -578.727 where: short stacking energy: -317.282 Base-Backbone interact. energy: -1.010 local terms energy: -378.893694 where: bonds (distance) C4'-P energy: -78.119 bonds (distance) P-C4' energy: -89.601 flat angles C4'-P-C4' energy: -83.322 flat angles P-C4'-P energy: -53.755 tors. eta vs tors. theta energy: -74.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -675.394032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.394032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.394032 (E_RNA) where: Base-Base interactions energy: -355.313 where: short stacking energy: -188.968 Base-Backbone interact. energy: 0.345 local terms energy: -320.426234 where: bonds (distance) C4'-P energy: -80.533 bonds (distance) P-C4' energy: -90.031 flat angles C4'-P-C4' energy: -90.726 flat angles P-C4'-P energy: -28.106 tors. eta vs tors. theta energy: -31.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -570.838764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.838764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.838764 (E_RNA) where: Base-Base interactions energy: -296.005 where: short stacking energy: -182.375 Base-Backbone interact. energy: 3.332 local terms energy: -278.166281 where: bonds (distance) C4'-P energy: -81.675 bonds (distance) P-C4' energy: -92.210 flat angles C4'-P-C4' energy: -70.995 flat angles P-C4'-P energy: -31.101 tors. eta vs tors. theta energy: -2.186 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: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -520.608313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.608313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.608313 (E_RNA) where: Base-Base interactions energy: -255.775 where: short stacking energy: -150.020 Base-Backbone interact. energy: -0.335 local terms energy: -264.498926 where: bonds (distance) C4'-P energy: -75.638 bonds (distance) P-C4' energy: -71.571 flat angles C4'-P-C4' energy: -61.601 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -10.844 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: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1531.971882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.971882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.971882 (E_RNA) where: Base-Base interactions energy: -1054.648 where: short stacking energy: -469.060 Base-Backbone interact. energy: 3.311 local terms energy: -480.635051 where: bonds (distance) C4'-P energy: -95.765 bonds (distance) P-C4' energy: -92.135 flat angles C4'-P-C4' energy: -106.314 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -114.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1450.673872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.673872 (E_RNA) where: Base-Base interactions energy: -1000.091 where: short stacking energy: -420.045 Base-Backbone interact. energy: -3.320 local terms energy: -447.262374 where: bonds (distance) C4'-P energy: -87.967 bonds (distance) P-C4' energy: -96.214 flat angles C4'-P-C4' energy: -98.821 flat angles P-C4'-P energy: -63.045 tors. eta vs tors. theta energy: -101.215 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: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1374.949580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.949580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.949580 (E_RNA) where: Base-Base interactions energy: -920.073 where: short stacking energy: -422.571 Base-Backbone interact. energy: 3.815 local terms energy: -458.691623 where: bonds (distance) C4'-P energy: -96.083 bonds (distance) P-C4' energy: -101.666 flat angles C4'-P-C4' energy: -104.974 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -96.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1312.526258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.526258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.526258 (E_RNA) where: Base-Base interactions energy: -876.934 where: short stacking energy: -366.674 Base-Backbone interact. energy: -1.938 local terms energy: -433.654257 where: bonds (distance) C4'-P energy: -95.855 bonds (distance) P-C4' energy: -92.307 flat angles C4'-P-C4' energy: -90.525 flat angles P-C4'-P energy: -59.398 tors. eta vs tors. theta energy: -95.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1046.836609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.836609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.836609 (E_RNA) where: Base-Base interactions energy: -645.289 where: short stacking energy: -321.744 Base-Backbone interact. energy: -2.801 local terms energy: -398.746647 where: bonds (distance) C4'-P energy: -81.405 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -103.092 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -60.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1051.117447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.117447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.117447 (E_RNA) where: Base-Base interactions energy: -647.760 where: short stacking energy: -302.052 Base-Backbone interact. energy: 1.464 local terms energy: -404.821408 where: bonds (distance) C4'-P energy: -85.166 bonds (distance) P-C4' energy: -87.022 flat angles C4'-P-C4' energy: -94.805 flat angles P-C4'-P energy: -65.332 tors. eta vs tors. theta energy: -72.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -947.343589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.343589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.343589 (E_RNA) where: Base-Base interactions energy: -564.492 where: short stacking energy: -273.150 Base-Backbone interact. energy: -1.429 local terms energy: -381.422636 where: bonds (distance) C4'-P energy: -92.535 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -87.382 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -55.249 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: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -642.229636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.229636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.229636 (E_RNA) where: Base-Base interactions energy: -371.005 where: short stacking energy: -206.916 Base-Backbone interact. energy: -1.594 local terms energy: -269.630464 where: bonds (distance) C4'-P energy: -79.177 bonds (distance) P-C4' energy: -84.115 flat angles C4'-P-C4' energy: -68.714 flat angles P-C4'-P energy: -31.710 tors. eta vs tors. theta energy: -5.915 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: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -601.870107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.870107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.870107 (E_RNA) where: Base-Base interactions energy: -290.882 where: short stacking energy: -172.482 Base-Backbone interact. energy: 1.402 local terms energy: -312.390112 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -89.093 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -5.065 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: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -528.596165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.596165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.596165 (E_RNA) where: Base-Base interactions energy: -246.596 where: short stacking energy: -140.253 Base-Backbone interact. energy: 2.131 local terms energy: -284.131503 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -92.928 flat angles C4'-P-C4' energy: -87.173 flat angles P-C4'-P energy: -44.044 tors. eta vs tors. theta energy: 14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1528.131125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.131125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.131125 (E_RNA) where: Base-Base interactions energy: -1028.444 where: short stacking energy: -455.695 Base-Backbone interact. energy: -2.227 local terms energy: -497.460594 where: bonds (distance) C4'-P energy: -93.510 bonds (distance) P-C4' energy: -102.046 flat angles C4'-P-C4' energy: -108.401 flat angles P-C4'-P energy: -68.317 tors. eta vs tors. theta energy: -125.187 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1518.413727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.413727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.413727 (E_RNA) where: Base-Base interactions energy: -1036.855 where: short stacking energy: -462.297 Base-Backbone interact. energy: -3.910 local terms energy: -477.647868 where: bonds (distance) C4'-P energy: -96.300 bonds (distance) P-C4' energy: -89.929 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -110.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1387.356276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.356276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.356276 (E_RNA) where: Base-Base interactions energy: -925.397 where: short stacking energy: -413.349 Base-Backbone interact. energy: -2.371 local terms energy: -459.588706 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -91.532 flat angles C4'-P-C4' energy: -104.738 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -106.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1370.419315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.419315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.419315 (E_RNA) where: Base-Base interactions energy: -918.965 where: short stacking energy: -418.888 Base-Backbone interact. energy: -1.745 local terms energy: -449.709643 where: bonds (distance) C4'-P energy: -84.121 bonds (distance) P-C4' energy: -90.970 flat angles C4'-P-C4' energy: -105.749 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -111.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1076.289626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.289626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.289626 (E_RNA) where: Base-Base interactions energy: -660.935 where: short stacking energy: -340.099 Base-Backbone interact. energy: -2.335 local terms energy: -413.019767 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -96.188 flat angles C4'-P-C4' energy: -106.175 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -71.103 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: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1004.136482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.136482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.136482 (E_RNA) where: Base-Base interactions energy: -651.648 where: short stacking energy: -293.895 Base-Backbone interact. energy: 0.450 local terms energy: -352.938492 where: bonds (distance) C4'-P energy: -75.486 bonds (distance) P-C4' energy: -75.514 flat angles C4'-P-C4' energy: -90.520 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -47.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -862.801910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.801910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.801910 (E_RNA) where: Base-Base interactions energy: -522.615 where: short stacking energy: -283.041 Base-Backbone interact. energy: 1.409 local terms energy: -341.595812 where: bonds (distance) C4'-P energy: -76.654 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -89.988 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -54.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -714.908922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.908922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.908922 (E_RNA) where: Base-Base interactions energy: -384.182 where: short stacking energy: -240.676 Base-Backbone interact. energy: -0.766 local terms energy: -329.960616 where: bonds (distance) C4'-P energy: -86.217 bonds (distance) P-C4' energy: -80.520 flat angles C4'-P-C4' energy: -73.921 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -35.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -558.662505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.662505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.662505 (E_RNA) where: Base-Base interactions energy: -266.578 where: short stacking energy: -167.834 Base-Backbone interact. energy: 0.849 local terms energy: -292.932801 where: bonds (distance) C4'-P energy: -87.728 bonds (distance) P-C4' energy: -97.871 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -40.103 tors. eta vs tors. theta energy: 4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -529.383994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.383994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.383994 (E_RNA) where: Base-Base interactions energy: -257.614 where: short stacking energy: -168.966 Base-Backbone interact. energy: -1.632 local terms energy: -270.138172 where: bonds (distance) C4'-P energy: -80.581 bonds (distance) P-C4' energy: -81.202 flat angles C4'-P-C4' energy: -76.319 flat angles P-C4'-P energy: -36.667 tors. eta vs tors. theta energy: 4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1526.526085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.526085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.526085 (E_RNA) where: Base-Base interactions energy: -1022.590 where: short stacking energy: -466.038 Base-Backbone interact. energy: -4.945 local terms energy: -498.991659 where: bonds (distance) C4'-P energy: -103.439 bonds (distance) P-C4' energy: -92.871 flat angles C4'-P-C4' energy: -98.983 flat angles P-C4'-P energy: -84.117 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: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1464.304890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.304890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.304890 (E_RNA) where: Base-Base interactions energy: -999.450 where: short stacking energy: -452.915 Base-Backbone interact. energy: -0.836 local terms energy: -464.018250 where: bonds (distance) C4'-P energy: -98.202 bonds (distance) P-C4' energy: -95.833 flat angles C4'-P-C4' energy: -95.275 flat angles P-C4'-P energy: -61.911 tors. eta vs tors. theta energy: -112.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1420.048312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.048312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.048312 (E_RNA) where: Base-Base interactions energy: -962.448 where: short stacking energy: -439.761 Base-Backbone interact. energy: -2.924 local terms energy: -454.676264 where: bonds (distance) C4'-P energy: -81.478 bonds (distance) P-C4' energy: -92.929 flat angles C4'-P-C4' energy: -105.566 flat angles P-C4'-P energy: -64.225 tors. eta vs tors. theta energy: -110.477 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: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1357.466004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.466004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.466004 (E_RNA) where: Base-Base interactions energy: -910.714 where: short stacking energy: -417.824 Base-Backbone interact. energy: -2.500 local terms energy: -444.252038 where: bonds (distance) C4'-P energy: -90.954 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -100.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1065.689655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.689655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.689655 (E_RNA) where: Base-Base interactions energy: -664.662 where: short stacking energy: -334.682 Base-Backbone interact. energy: -4.837 local terms energy: -396.190273 where: bonds (distance) C4'-P energy: -84.706 bonds (distance) P-C4' energy: -98.181 flat angles C4'-P-C4' energy: -85.567 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -73.622 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: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -960.653827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.653827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.653827 (E_RNA) where: Base-Base interactions energy: -611.123 where: short stacking energy: -271.472 Base-Backbone interact. energy: 2.825 local terms energy: -352.356020 where: bonds (distance) C4'-P energy: -85.112 bonds (distance) P-C4' energy: -79.714 flat angles C4'-P-C4' energy: -88.961 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -52.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -886.445028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.445028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.445028 (E_RNA) where: Base-Base interactions energy: -529.792 where: short stacking energy: -280.875 Base-Backbone interact. energy: -4.724 local terms energy: -351.929043 where: bonds (distance) C4'-P energy: -82.883 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -80.718 flat angles P-C4'-P energy: -38.831 tors. eta vs tors. theta energy: -61.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -703.302947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.302947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.302947 (E_RNA) where: Base-Base interactions energy: -359.047 where: short stacking energy: -183.215 Base-Backbone interact. energy: 1.669 local terms energy: -345.924868 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -98.768 flat angles C4'-P-C4' energy: -78.764 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -26.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -612.312072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.312072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.312072 (E_RNA) where: Base-Base interactions energy: -326.636 where: short stacking energy: -200.117 Base-Backbone interact. energy: -0.403 local terms energy: -285.273929 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -84.898 flat angles C4'-P-C4' energy: -67.480 flat angles P-C4'-P energy: -42.517 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -504.195722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.195722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.195722 (E_RNA) where: Base-Base interactions energy: -272.060 where: short stacking energy: -141.565 Base-Backbone interact. energy: 1.642 local terms energy: -233.777840 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -83.513 flat angles C4'-P-C4' energy: -65.253 flat angles P-C4'-P energy: -31.980 tors. eta vs tors. theta energy: 5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1541.535878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.535878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.535878 (E_RNA) where: Base-Base interactions energy: -1042.656 where: short stacking energy: -476.849 Base-Backbone interact. energy: -3.113 local terms energy: -495.766750 where: bonds (distance) C4'-P energy: -90.782 bonds (distance) P-C4' energy: -106.505 flat angles C4'-P-C4' energy: -116.235 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: -112.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1496.741360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.741360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.741360 (E_RNA) where: Base-Base interactions energy: -1000.397 where: short stacking energy: -423.188 Base-Backbone interact. energy: -2.309 local terms energy: -494.035798 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -102.525 flat angles C4'-P-C4' energy: -103.203 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -115.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1422.352316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.352316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.352316 (E_RNA) where: Base-Base interactions energy: -943.834 where: short stacking energy: -426.767 Base-Backbone interact. energy: -3.671 local terms energy: -474.846780 where: bonds (distance) C4'-P energy: -102.910 bonds (distance) P-C4' energy: -91.464 flat angles C4'-P-C4' energy: -107.349 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -108.488 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: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1317.002701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.002701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.002701 (E_RNA) where: Base-Base interactions energy: -866.731 where: short stacking energy: -399.509 Base-Backbone interact. energy: -1.147 local terms energy: -449.124377 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -96.218 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -92.722 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1082.510975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.510975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.510975 (E_RNA) where: Base-Base interactions energy: -675.977 where: short stacking energy: -349.291 Base-Backbone interact. energy: 1.863 local terms energy: -408.397367 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -88.780 flat angles C4'-P-C4' energy: -95.285 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -72.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1072.255641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.255641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.255641 (E_RNA) where: Base-Base interactions energy: -679.567 where: short stacking energy: -298.567 Base-Backbone interact. energy: -3.590 local terms energy: -389.098085 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -62.859 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: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -857.541055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.541055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.541055 (E_RNA) where: Base-Base interactions energy: -527.896 where: short stacking energy: -250.529 Base-Backbone interact. energy: -2.269 local terms energy: -327.375915 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -82.146 flat angles P-C4'-P energy: -59.054 tors. eta vs tors. theta energy: -38.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -680.990856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.990856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.990856 (E_RNA) where: Base-Base interactions energy: -346.359 where: short stacking energy: -204.188 Base-Backbone interact. energy: 1.571 local terms energy: -336.203484 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -78.815 flat angles C4'-P-C4' energy: -97.973 flat angles P-C4'-P energy: -44.215 tors. eta vs tors. theta energy: -31.651 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: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -593.260273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.260273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.260273 (E_RNA) where: Base-Base interactions energy: -296.850 where: short stacking energy: -183.065 Base-Backbone interact. energy: -1.307 local terms energy: -295.103586 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -45.867 tors. eta vs tors. theta energy: -12.785 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -482.956582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.956582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.956582 (E_RNA) where: Base-Base interactions energy: -187.386 where: short stacking energy: -142.587 Base-Backbone interact. energy: -2.451 local terms energy: -293.119357 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -90.548 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1533.197150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.197150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.197150 (E_RNA) where: Base-Base interactions energy: -1020.250 where: short stacking energy: -441.082 Base-Backbone interact. energy: -2.636 local terms energy: -510.311516 where: bonds (distance) C4'-P energy: -99.167 bonds (distance) P-C4' energy: -113.091 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -116.807 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: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1506.392839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.392839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.392839 (E_RNA) where: Base-Base interactions energy: -1030.742 where: short stacking energy: -445.435 Base-Backbone interact. energy: -2.986 local terms energy: -472.664599 where: bonds (distance) C4'-P energy: -88.032 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -101.495 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: -119.044 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: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1378.209030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.209030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.209030 (E_RNA) where: Base-Base interactions energy: -933.998 where: short stacking energy: -421.615 Base-Backbone interact. energy: -0.335 local terms energy: -443.875840 where: bonds (distance) C4'-P energy: -82.945 bonds (distance) P-C4' energy: -94.716 flat angles C4'-P-C4' energy: -101.446 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -98.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1379.749680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.749680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.749680 (E_RNA) where: Base-Base interactions energy: -919.913 where: short stacking energy: -406.459 Base-Backbone interact. energy: -0.334 local terms energy: -459.502761 where: bonds (distance) C4'-P energy: -84.219 bonds (distance) P-C4' energy: -87.112 flat angles C4'-P-C4' energy: -109.398 flat angles P-C4'-P energy: -70.810 tors. eta vs tors. theta energy: -107.964 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: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1085.118825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.118825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.118825 (E_RNA) where: Base-Base interactions energy: -689.748 where: short stacking energy: -322.868 Base-Backbone interact. energy: 1.752 local terms energy: -397.123097 where: bonds (distance) C4'-P energy: -96.517 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -65.526 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: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1133.810928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.810928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.810928 (E_RNA) where: Base-Base interactions energy: -752.912 where: short stacking energy: -332.696 Base-Backbone interact. energy: -0.285 local terms energy: -380.614469 where: bonds (distance) C4'-P energy: -86.763 bonds (distance) P-C4' energy: -88.516 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -79.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -962.546348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.546348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.546348 (E_RNA) where: Base-Base interactions energy: -591.458 where: short stacking energy: -302.456 Base-Backbone interact. energy: -0.479 local terms energy: -370.608961 where: bonds (distance) C4'-P energy: -85.094 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -82.801 flat angles P-C4'-P energy: -58.904 tors. eta vs tors. theta energy: -70.070 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: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -673.335789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.335789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.335789 (E_RNA) where: Base-Base interactions energy: -360.081 where: short stacking energy: -192.823 Base-Backbone interact. energy: -1.993 local terms energy: -311.261551 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -77.394 flat angles C4'-P-C4' energy: -78.042 flat angles P-C4'-P energy: -54.708 tors. eta vs tors. theta energy: -24.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -664.056541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.056541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.056541 (E_RNA) where: Base-Base interactions energy: -362.058 where: short stacking energy: -208.367 Base-Backbone interact. energy: 1.398 local terms energy: -303.396010 where: bonds (distance) C4'-P energy: -77.220 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -67.071 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -30.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -483.360801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.360801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.360801 (E_RNA) where: Base-Base interactions energy: -233.417 where: short stacking energy: -154.666 Base-Backbone interact. energy: 8.718 local terms energy: -258.661714 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -97.104 flat angles C4'-P-C4' energy: -62.506 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: 5.521 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: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1557.501451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.501451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.501451 (E_RNA) where: Base-Base interactions energy: -1070.618 where: short stacking energy: -449.843 Base-Backbone interact. energy: -2.450 local terms energy: -484.433456 where: bonds (distance) C4'-P energy: -99.581 bonds (distance) P-C4' energy: -104.330 flat angles C4'-P-C4' energy: -108.206 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -108.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1524.623654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.623654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.623654 (E_RNA) where: Base-Base interactions energy: -1032.706 where: short stacking energy: -422.467 Base-Backbone interact. energy: -2.489 local terms energy: -489.428534 where: bonds (distance) C4'-P energy: -94.498 bonds (distance) P-C4' energy: -100.720 flat angles C4'-P-C4' energy: -108.195 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -109.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1418.183162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.183162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.183162 (E_RNA) where: Base-Base interactions energy: -966.150 where: short stacking energy: -421.750 Base-Backbone interact. energy: -3.162 local terms energy: -448.871704 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -103.654 flat angles C4'-P-C4' energy: -103.470 flat angles P-C4'-P energy: -50.592 tors. eta vs tors. theta energy: -99.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1345.350802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.350802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.350802 (E_RNA) where: Base-Base interactions energy: -932.730 where: short stacking energy: -392.254 Base-Backbone interact. energy: -0.284 local terms energy: -412.336453 where: bonds (distance) C4'-P energy: -63.841 bonds (distance) P-C4' energy: -89.587 flat angles C4'-P-C4' energy: -106.435 flat angles P-C4'-P energy: -65.366 tors. eta vs tors. theta energy: -87.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1110.535816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.535816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.535816 (E_RNA) where: Base-Base interactions energy: -722.630 where: short stacking energy: -328.930 Base-Backbone interact. energy: -1.832 local terms energy: -386.073445 where: bonds (distance) C4'-P energy: -88.096 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -76.310 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -72.428 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: 34 Temperature: 1.150000 Total energy: -1147.884954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.884954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.884954 (E_RNA) where: Base-Base interactions energy: -765.053 where: short stacking energy: -343.386 Base-Backbone interact. energy: -1.505 local terms energy: -381.327388 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -96.678 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -75.095 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: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1015.976425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.976425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.976425 (E_RNA) where: Base-Base interactions energy: -633.858 where: short stacking energy: -308.879 Base-Backbone interact. energy: 0.442 local terms energy: -382.560447 where: bonds (distance) C4'-P energy: -77.921 bonds (distance) P-C4' energy: -90.017 flat angles C4'-P-C4' energy: -88.636 flat angles P-C4'-P energy: -59.871 tors. eta vs tors. theta energy: -66.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -642.957048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.957048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.957048 (E_RNA) where: Base-Base interactions energy: -356.725 where: short stacking energy: -176.411 Base-Backbone interact. energy: -3.645 local terms energy: -282.587792 where: bonds (distance) C4'-P energy: -69.205 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -74.809 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -621.231090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.231090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.231090 (E_RNA) where: Base-Base interactions energy: -353.838 where: short stacking energy: -184.782 Base-Backbone interact. energy: 0.786 local terms energy: -268.178681 where: bonds (distance) C4'-P energy: -73.799 bonds (distance) P-C4' energy: -82.577 flat angles C4'-P-C4' energy: -63.595 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -497.200502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.200502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.200502 (E_RNA) where: Base-Base interactions energy: -249.503 where: short stacking energy: -169.646 Base-Backbone interact. energy: 0.741 local terms energy: -248.438248 where: bonds (distance) C4'-P energy: -68.104 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -60.220 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1554.376307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.376307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.376307 (E_RNA) where: Base-Base interactions energy: -1063.858 where: short stacking energy: -471.816 Base-Backbone interact. energy: -0.077 local terms energy: -490.441406 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -89.559 flat angles C4'-P-C4' energy: -106.634 flat angles P-C4'-P energy: -77.244 tors. eta vs tors. theta energy: -112.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1509.217817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.217817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.217817 (E_RNA) where: Base-Base interactions energy: -1018.072 where: short stacking energy: -450.648 Base-Backbone interact. energy: -2.711 local terms energy: -488.434967 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -99.624 flat angles C4'-P-C4' energy: -106.406 flat angles P-C4'-P energy: -62.404 tors. eta vs tors. theta energy: -130.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1406.791462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.791462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.791462 (E_RNA) where: Base-Base interactions energy: -937.630 where: short stacking energy: -402.107 Base-Backbone interact. energy: 0.173 local terms energy: -469.335228 where: bonds (distance) C4'-P energy: -90.367 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -102.822 flat angles P-C4'-P energy: -65.474 tors. eta vs tors. theta energy: -106.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1346.379781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.379781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.379781 (E_RNA) where: Base-Base interactions energy: -882.656 where: short stacking energy: -406.703 Base-Backbone interact. energy: 0.911 local terms energy: -464.635085 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -99.993 flat angles C4'-P-C4' energy: -96.132 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -98.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1134.071383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.071383 (E_RNA) where: Base-Base interactions energy: -736.225 where: short stacking energy: -340.282 Base-Backbone interact. energy: 1.436 local terms energy: -399.283110 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -91.549 flat angles C4'-P-C4' energy: -102.137 flat angles P-C4'-P energy: -52.037 tors. eta vs tors. theta energy: -71.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1161.408221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.408221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.408221 (E_RNA) where: Base-Base interactions energy: -797.013 where: short stacking energy: -339.262 Base-Backbone interact. energy: -1.718 local terms energy: -362.677167 where: bonds (distance) C4'-P energy: -75.321 bonds (distance) P-C4' energy: -91.422 flat angles C4'-P-C4' energy: -88.278 flat angles P-C4'-P energy: -43.617 tors. eta vs tors. theta energy: -64.039 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: 3 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1096.652963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.652963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.652963 (E_RNA) where: Base-Base interactions energy: -730.132 where: short stacking energy: -323.055 Base-Backbone interact. energy: -2.821 local terms energy: -363.700403 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -87.575 flat angles C4'-P-C4' energy: -80.540 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -57.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -652.070888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.070888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.070888 (E_RNA) where: Base-Base interactions energy: -330.869 where: short stacking energy: -178.049 Base-Backbone interact. energy: -1.662 local terms energy: -319.539366 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -79.801 flat angles P-C4'-P energy: -59.927 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -611.513763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.513763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.513763 (E_RNA) where: Base-Base interactions energy: -346.337 where: short stacking energy: -174.469 Base-Backbone interact. energy: -2.571 local terms energy: -262.605605 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -85.887 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -34.267 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -473.345999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.345999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.345999 (E_RNA) where: Base-Base interactions energy: -181.225 where: short stacking energy: -110.449 Base-Backbone interact. energy: 1.089 local terms energy: -293.210724 where: bonds (distance) C4'-P energy: -86.155 bonds (distance) P-C4' energy: -93.457 flat angles C4'-P-C4' energy: -80.530 flat angles P-C4'-P energy: -39.185 tors. eta vs tors. theta energy: 6.116 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: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1552.061251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.061251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.061251 (E_RNA) where: Base-Base interactions energy: -1050.757 where: short stacking energy: -469.496 Base-Backbone interact. energy: -3.332 local terms energy: -497.972465 where: bonds (distance) C4'-P energy: -92.349 bonds (distance) P-C4' energy: -97.571 flat angles C4'-P-C4' energy: -109.171 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -123.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1509.741895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.741895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.741895 (E_RNA) where: Base-Base interactions energy: -1024.078 where: short stacking energy: -447.364 Base-Backbone interact. energy: -3.203 local terms energy: -482.460655 where: bonds (distance) C4'-P energy: -79.103 bonds (distance) P-C4' energy: -106.643 flat angles C4'-P-C4' energy: -103.661 flat angles P-C4'-P energy: -67.967 tors. eta vs tors. theta energy: -125.086 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: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1454.037929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.037929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.037929 (E_RNA) where: Base-Base interactions energy: -975.242 where: short stacking energy: -438.648 Base-Backbone interact. energy: -0.676 local terms energy: -478.120048 where: bonds (distance) C4'-P energy: -89.996 bonds (distance) P-C4' energy: -103.372 flat angles C4'-P-C4' energy: -102.982 flat angles P-C4'-P energy: -67.238 tors. eta vs tors. theta energy: -114.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1342.377776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.377776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.377776 (E_RNA) where: Base-Base interactions energy: -882.028 where: short stacking energy: -390.132 Base-Backbone interact. energy: -1.417 local terms energy: -458.933243 where: bonds (distance) C4'-P energy: -102.454 bonds (distance) P-C4' energy: -94.878 flat angles C4'-P-C4' energy: -102.698 flat angles P-C4'-P energy: -59.480 tors. eta vs tors. theta energy: -99.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1256.019127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.019127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.019127 (E_RNA) where: Base-Base interactions energy: -846.442 where: short stacking energy: -362.382 Base-Backbone interact. energy: -1.792 local terms energy: -407.784512 where: bonds (distance) C4'-P energy: -82.829 bonds (distance) P-C4' energy: -87.094 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -89.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1015.588359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.588359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.588359 (E_RNA) where: Base-Base interactions energy: -639.233 where: short stacking energy: -298.448 Base-Backbone interact. energy: 1.608 local terms energy: -377.963394 where: bonds (distance) C4'-P energy: -99.068 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -63.872 tors. eta vs tors. theta energy: -60.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1057.415018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.415018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.415018 (E_RNA) where: Base-Base interactions energy: -698.965 where: short stacking energy: -296.872 Base-Backbone interact. energy: -0.379 local terms energy: -358.071516 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -90.550 flat angles C4'-P-C4' energy: -74.275 flat angles P-C4'-P energy: -56.975 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: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -635.441177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.441177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.441177 (E_RNA) where: Base-Base interactions energy: -320.823 where: short stacking energy: -192.622 Base-Backbone interact. energy: 1.748 local terms energy: -316.366113 where: bonds (distance) C4'-P energy: -82.106 bonds (distance) P-C4' energy: -92.202 flat angles C4'-P-C4' energy: -74.998 flat angles P-C4'-P energy: -57.404 tors. eta vs tors. theta energy: -9.656 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -538.790635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.790635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.790635 (E_RNA) where: Base-Base interactions energy: -262.398 where: short stacking energy: -160.918 Base-Backbone interact. energy: -1.403 local terms energy: -274.989850 where: bonds (distance) C4'-P energy: -78.949 bonds (distance) P-C4' energy: -80.428 flat angles C4'-P-C4' energy: -76.991 flat angles P-C4'-P energy: -34.593 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -589.038852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.038852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.038852 (E_RNA) where: Base-Base interactions energy: -302.568 where: short stacking energy: -168.012 Base-Backbone interact. energy: 0.226 local terms energy: -286.696457 where: bonds (distance) C4'-P energy: -83.824 bonds (distance) P-C4' energy: -76.263 flat angles C4'-P-C4' energy: -78.079 flat angles P-C4'-P energy: -39.939 tors. eta vs tors. theta energy: -8.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1557.704704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.704704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.704704 (E_RNA) where: Base-Base interactions energy: -1060.141 where: short stacking energy: -448.583 Base-Backbone interact. energy: -3.200 local terms energy: -494.363202 where: bonds (distance) C4'-P energy: -101.598 bonds (distance) P-C4' energy: -102.867 flat angles C4'-P-C4' energy: -100.410 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: -114.916 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: 9 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1522.870261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.870261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.870261 (E_RNA) where: Base-Base interactions energy: -1035.555 where: short stacking energy: -468.011 Base-Backbone interact. energy: -1.286 local terms energy: -486.029180 where: bonds (distance) C4'-P energy: -82.284 bonds (distance) P-C4' energy: -92.510 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -65.874 tors. eta vs tors. theta energy: -128.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1462.673043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.673043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.673043 (E_RNA) where: Base-Base interactions energy: -983.703 where: short stacking energy: -425.901 Base-Backbone interact. energy: -7.323 local terms energy: -471.646595 where: bonds (distance) C4'-P energy: -91.031 bonds (distance) P-C4' energy: -96.240 flat angles C4'-P-C4' energy: -100.083 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -110.885 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: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1356.698538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.698538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.698538 (E_RNA) where: Base-Base interactions energy: -913.222 where: short stacking energy: -411.789 Base-Backbone interact. energy: 0.770 local terms energy: -444.246914 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -94.966 flat angles C4'-P-C4' energy: -107.855 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: -91.507 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: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1293.164951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.164951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.164951 (E_RNA) where: Base-Base interactions energy: -882.104 where: short stacking energy: -390.347 Base-Backbone interact. energy: -2.253 local terms energy: -408.808488 where: bonds (distance) C4'-P energy: -91.070 bonds (distance) P-C4' energy: -86.823 flat angles C4'-P-C4' energy: -84.390 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -97.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1123.084564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.084564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.084564 (E_RNA) where: Base-Base interactions energy: -728.052 where: short stacking energy: -320.502 Base-Backbone interact. energy: -4.112 local terms energy: -390.920536 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -84.559 flat angles P-C4'-P energy: -51.366 tors. eta vs tors. theta energy: -71.768 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: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1005.923385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.923385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.923385 (E_RNA) where: Base-Base interactions energy: -627.382 where: short stacking energy: -292.379 Base-Backbone interact. energy: -0.740 local terms energy: -377.801371 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -92.908 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -51.993 tors. eta vs tors. theta energy: -58.789 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: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -675.672646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.672646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.672646 (E_RNA) where: Base-Base interactions energy: -331.925 where: short stacking energy: -226.665 Base-Backbone interact. energy: 1.177 local terms energy: -344.924307 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -94.789 flat angles C4'-P-C4' energy: -94.964 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -35.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -611.497071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.497071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.497071 (E_RNA) where: Base-Base interactions energy: -308.357 where: short stacking energy: -187.273 Base-Backbone interact. energy: 1.861 local terms energy: -305.000862 where: bonds (distance) C4'-P energy: -90.511 bonds (distance) P-C4' energy: -82.960 flat angles C4'-P-C4' energy: -65.829 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -570.599560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.599560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.599560 (E_RNA) where: Base-Base interactions energy: -304.566 where: short stacking energy: -167.638 Base-Backbone interact. energy: 4.195 local terms energy: -270.227783 where: bonds (distance) C4'-P energy: -84.154 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -68.963 flat angles P-C4'-P energy: -42.916 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1556.849636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.849636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.849636 (E_RNA) where: Base-Base interactions energy: -1045.943 where: short stacking energy: -483.464 Base-Backbone interact. energy: -2.774 local terms energy: -508.132485 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -93.792 flat angles C4'-P-C4' energy: -114.810 flat angles P-C4'-P energy: -76.002 tors. eta vs tors. theta energy: -120.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1477.019839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.019839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.019839 (E_RNA) where: Base-Base interactions energy: -1004.317 where: short stacking energy: -471.833 Base-Backbone interact. energy: -1.741 local terms energy: -470.962026 where: bonds (distance) C4'-P energy: -86.263 bonds (distance) P-C4' energy: -101.907 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -72.485 tors. eta vs tors. theta energy: -118.513 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: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1445.132600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.132600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.132600 (E_RNA) where: Base-Base interactions energy: -975.645 where: short stacking energy: -415.879 Base-Backbone interact. energy: -5.251 local terms energy: -464.237445 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: -113.367 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1403.492999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.492999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.492999 (E_RNA) where: Base-Base interactions energy: -957.607 where: short stacking energy: -409.883 Base-Backbone interact. energy: 3.122 local terms energy: -449.008737 where: bonds (distance) C4'-P energy: -94.589 bonds (distance) P-C4' energy: -81.678 flat angles C4'-P-C4' energy: -103.606 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -99.430 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: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1277.539777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.539777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.539777 (E_RNA) where: Base-Base interactions energy: -879.965 where: short stacking energy: -367.585 Base-Backbone interact. energy: 1.047 local terms energy: -398.622178 where: bonds (distance) C4'-P energy: -87.233 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -84.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1153.175994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.175994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.175994 (E_RNA) where: Base-Base interactions energy: -758.671 where: short stacking energy: -327.853 Base-Backbone interact. energy: -5.205 local terms energy: -389.300475 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -100.296 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -55.686 tors. eta vs tors. theta energy: -73.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -974.806726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.806726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.806726 (E_RNA) where: Base-Base interactions energy: -605.132 where: short stacking energy: -272.881 Base-Backbone interact. energy: -2.194 local terms energy: -367.481001 where: bonds (distance) C4'-P energy: -89.390 bonds (distance) P-C4' energy: -85.577 flat angles C4'-P-C4' energy: -79.388 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -65.249 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: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -597.680597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.680597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.680597 (E_RNA) where: Base-Base interactions energy: -298.499 where: short stacking energy: -170.613 Base-Backbone interact. energy: 2.354 local terms energy: -301.535255 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -89.041 flat angles C4'-P-C4' energy: -66.631 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -589.728998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.728998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.728998 (E_RNA) where: Base-Base interactions energy: -292.119 where: short stacking energy: -183.781 Base-Backbone interact. energy: 1.577 local terms energy: -299.186265 where: bonds (distance) C4'-P energy: -86.703 bonds (distance) P-C4' energy: -84.905 flat angles C4'-P-C4' energy: -72.771 flat angles P-C4'-P energy: -41.808 tors. eta vs tors. theta energy: -13.000 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: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -596.654714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.654714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.654714 (E_RNA) where: Base-Base interactions energy: -301.471 where: short stacking energy: -163.449 Base-Backbone interact. energy: -2.123 local terms energy: -293.060158 where: bonds (distance) C4'-P energy: -77.248 bonds (distance) P-C4' energy: -89.189 flat angles C4'-P-C4' energy: -84.519 flat angles P-C4'-P energy: -34.947 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1525.649672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.649672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.649672 (E_RNA) where: Base-Base interactions energy: -1037.793 where: short stacking energy: -454.908 Base-Backbone interact. energy: -1.015 local terms energy: -486.842019 where: bonds (distance) C4'-P energy: -104.376 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -118.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1510.556498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.556498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.556498 (E_RNA) where: Base-Base interactions energy: -1027.593 where: short stacking energy: -460.547 Base-Backbone interact. energy: -2.749 local terms energy: -480.214126 where: bonds (distance) C4'-P energy: -88.944 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -104.570 flat angles P-C4'-P energy: -75.481 tors. eta vs tors. theta energy: -124.632 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: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1450.969188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.969188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.969188 (E_RNA) where: Base-Base interactions energy: -990.002 where: short stacking energy: -409.863 Base-Backbone interact. energy: -2.495 local terms energy: -458.472157 where: bonds (distance) C4'-P energy: -80.880 bonds (distance) P-C4' energy: -103.380 flat angles C4'-P-C4' energy: -107.818 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: -99.781 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: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1403.370418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.370418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.370418 (E_RNA) where: Base-Base interactions energy: -947.068 where: short stacking energy: -391.087 Base-Backbone interact. energy: -6.108 local terms energy: -450.193792 where: bonds (distance) C4'-P energy: -85.336 bonds (distance) P-C4' energy: -104.651 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -76.035 tors. eta vs tors. theta energy: -96.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1293.891340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.891340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.891340 (E_RNA) where: Base-Base interactions energy: -856.381 where: short stacking energy: -380.634 Base-Backbone interact. energy: -1.387 local terms energy: -436.123070 where: bonds (distance) C4'-P energy: -89.270 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -99.821 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -99.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1208.380363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.380363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.380363 (E_RNA) where: Base-Base interactions energy: -802.978 where: short stacking energy: -345.203 Base-Backbone interact. energy: -0.317 local terms energy: -405.085150 where: bonds (distance) C4'-P energy: -88.449 bonds (distance) P-C4' energy: -93.402 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -37.894 tors. eta vs tors. theta energy: -94.169 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: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1055.834070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.834070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.834070 (E_RNA) where: Base-Base interactions energy: -693.613 where: short stacking energy: -303.194 Base-Backbone interact. energy: -4.274 local terms energy: -357.946505 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -59.321 tors. eta vs tors. theta energy: -57.316 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: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -649.245534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.245534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.245534 (E_RNA) where: Base-Base interactions energy: -340.895 where: short stacking energy: -202.606 Base-Backbone interact. energy: -2.469 local terms energy: -305.882305 where: bonds (distance) C4'-P energy: -73.253 bonds (distance) P-C4' energy: -84.450 flat angles C4'-P-C4' energy: -82.925 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -23.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -597.815472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.815472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.815472 (E_RNA) where: Base-Base interactions energy: -312.007 where: short stacking energy: -176.276 Base-Backbone interact. energy: 1.840 local terms energy: -287.648641 where: bonds (distance) C4'-P energy: -70.224 bonds (distance) P-C4' energy: -80.258 flat angles C4'-P-C4' energy: -60.847 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -23.663 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: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -605.603928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.603928 (E_RNA) where: Base-Base interactions energy: -324.452 where: short stacking energy: -183.674 Base-Backbone interact. energy: -2.120 local terms energy: -279.032020 where: bonds (distance) C4'-P energy: -83.309 bonds (distance) P-C4' energy: -72.634 flat angles C4'-P-C4' energy: -72.495 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -11.032 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: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1577.589199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.589199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.589199 (E_RNA) where: Base-Base interactions energy: -1073.207 where: short stacking energy: -472.188 Base-Backbone interact. energy: -4.385 local terms energy: -499.996938 where: bonds (distance) C4'-P energy: -95.467 bonds (distance) P-C4' energy: -98.450 flat angles C4'-P-C4' energy: -112.271 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -115.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1484.628017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.628017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.628017 (E_RNA) where: Base-Base interactions energy: -986.017 where: short stacking energy: -475.645 Base-Backbone interact. energy: -3.673 local terms energy: -494.937573 where: bonds (distance) C4'-P energy: -97.497 bonds (distance) P-C4' energy: -103.101 flat angles C4'-P-C4' energy: -100.356 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -125.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1467.686479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.686479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.686479 (E_RNA) where: Base-Base interactions energy: -998.512 where: short stacking energy: -429.392 Base-Backbone interact. energy: -5.021 local terms energy: -464.154303 where: bonds (distance) C4'-P energy: -87.084 bonds (distance) P-C4' energy: -92.994 flat angles C4'-P-C4' energy: -95.209 flat angles P-C4'-P energy: -77.302 tors. eta vs tors. theta energy: -111.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1445.244282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.244282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.244282 (E_RNA) where: Base-Base interactions energy: -989.237 where: short stacking energy: -429.095 Base-Backbone interact. energy: -4.869 local terms energy: -451.137930 where: bonds (distance) C4'-P energy: -84.283 bonds (distance) P-C4' energy: -88.472 flat angles C4'-P-C4' energy: -94.260 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -114.111 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: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1341.284482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.284482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.284482 (E_RNA) where: Base-Base interactions energy: -874.055 where: short stacking energy: -391.399 Base-Backbone interact. energy: -0.312 local terms energy: -466.918062 where: bonds (distance) C4'-P energy: -88.986 bonds (distance) P-C4' energy: -100.470 flat angles C4'-P-C4' energy: -109.771 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: -102.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1211.314474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.314474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.314474 (E_RNA) where: Base-Base interactions energy: -812.003 where: short stacking energy: -344.551 Base-Backbone interact. energy: -3.255 local terms energy: -396.056032 where: bonds (distance) C4'-P energy: -92.720 bonds (distance) P-C4' energy: -82.110 flat angles C4'-P-C4' energy: -84.279 flat angles P-C4'-P energy: -57.030 tors. eta vs tors. theta energy: -79.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1008.838259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.838259 (E_RNA) where: Base-Base interactions energy: -645.270 where: short stacking energy: -293.191 Base-Backbone interact. energy: 0.703 local terms energy: -364.270961 where: bonds (distance) C4'-P energy: -88.365 bonds (distance) P-C4' energy: -82.278 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -57.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -730.051971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.051971 (E_RNA) where: Base-Base interactions energy: -403.605 where: short stacking energy: -236.963 Base-Backbone interact. energy: 0.225 local terms energy: -326.672000 where: bonds (distance) C4'-P energy: -67.451 bonds (distance) P-C4' energy: -79.219 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -70.567 tors. eta vs tors. theta energy: -37.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -663.880244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.880244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.880244 (E_RNA) where: Base-Base interactions energy: -372.092 where: short stacking energy: -212.002 Base-Backbone interact. energy: 3.109 local terms energy: -294.898105 where: bonds (distance) C4'-P energy: -69.322 bonds (distance) P-C4' energy: -67.478 flat angles C4'-P-C4' energy: -98.090 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -21.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -521.507958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.507958 (E_RNA) where: Base-Base interactions energy: -259.285 where: short stacking energy: -165.092 Base-Backbone interact. energy: 3.497 local terms energy: -265.719352 where: bonds (distance) C4'-P energy: -60.567 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -5.721 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: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1587.975111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.975111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.975111 (E_RNA) where: Base-Base interactions energy: -1078.987 where: short stacking energy: -484.369 Base-Backbone interact. energy: 1.986 local terms energy: -510.973794 where: bonds (distance) C4'-P energy: -95.296 bonds (distance) P-C4' energy: -103.159 flat angles C4'-P-C4' energy: -116.044 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -120.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1480.270175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.270175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.270175 (E_RNA) where: Base-Base interactions energy: -1017.341 where: short stacking energy: -422.943 Base-Backbone interact. energy: -2.917 local terms energy: -460.012337 where: bonds (distance) C4'-P energy: -92.924 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -87.028 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -115.563 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: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1418.317325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.317325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.317325 (E_RNA) where: Base-Base interactions energy: -930.597 where: short stacking energy: -420.964 Base-Backbone interact. energy: 2.461 local terms energy: -490.180861 where: bonds (distance) C4'-P energy: -97.230 bonds (distance) P-C4' energy: -92.044 flat angles C4'-P-C4' energy: -100.306 flat angles P-C4'-P energy: -84.620 tors. eta vs tors. theta energy: -115.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1383.323424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.323424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.323424 (E_RNA) where: Base-Base interactions energy: -931.526 where: short stacking energy: -418.577 Base-Backbone interact. energy: -0.974 local terms energy: -450.824377 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -72.221 flat angles C4'-P-C4' energy: -100.952 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -109.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1432.984334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.984334 (E_RNA) where: Base-Base interactions energy: -994.155 where: short stacking energy: -423.843 Base-Backbone interact. energy: -3.835 local terms energy: -434.994603 where: bonds (distance) C4'-P energy: -88.808 bonds (distance) P-C4' energy: -79.479 flat angles C4'-P-C4' energy: -92.277 flat angles P-C4'-P energy: -61.690 tors. eta vs tors. theta energy: -112.741 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: 41 Temperature: 1.150000 Total energy: -1182.702816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.702816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.702816 (E_RNA) where: Base-Base interactions energy: -759.523 where: short stacking energy: -323.502 Base-Backbone interact. energy: 1.437 local terms energy: -424.617504 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -92.274 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -61.309 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: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1011.310751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.310751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.310751 (E_RNA) where: Base-Base interactions energy: -650.870 where: short stacking energy: -293.907 Base-Backbone interact. energy: 0.619 local terms energy: -361.060535 where: bonds (distance) C4'-P energy: -94.059 bonds (distance) P-C4' energy: -76.552 flat angles C4'-P-C4' energy: -79.617 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -61.178 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: 41 Temperature: 1.250000 Total energy: -685.840272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.840272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.840272 (E_RNA) where: Base-Base interactions energy: -340.019 where: short stacking energy: -210.229 Base-Backbone interact. energy: 0.824 local terms energy: -346.645157 where: bonds (distance) C4'-P energy: -90.580 bonds (distance) P-C4' energy: -83.625 flat angles C4'-P-C4' energy: -73.689 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -34.213 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: 41 Temperature: 1.300000 Total energy: -643.577982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.577982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.577982 (E_RNA) where: Base-Base interactions energy: -355.716 where: short stacking energy: -186.288 Base-Backbone interact. energy: -0.755 local terms energy: -287.106714 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -88.535 flat angles C4'-P-C4' energy: -60.646 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -10.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -534.657442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.657442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.657442 (E_RNA) where: Base-Base interactions energy: -259.529 where: short stacking energy: -159.134 Base-Backbone interact. energy: -0.602 local terms energy: -274.526274 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -90.414 flat angles C4'-P-C4' energy: -67.720 flat angles P-C4'-P energy: -41.256 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1563.409216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.409216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.409216 (E_RNA) where: Base-Base interactions energy: -1081.361 where: short stacking energy: -481.951 Base-Backbone interact. energy: -3.745 local terms energy: -478.303584 where: bonds (distance) C4'-P energy: -92.600 bonds (distance) P-C4' energy: -96.787 flat angles C4'-P-C4' energy: -102.339 flat angles P-C4'-P energy: -65.199 tors. eta vs tors. theta energy: -121.379 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: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1502.743133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.743133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.743133 (E_RNA) where: Base-Base interactions energy: -1024.890 where: short stacking energy: -426.685 Base-Backbone interact. energy: -6.751 local terms energy: -471.102837 where: bonds (distance) C4'-P energy: -87.304 bonds (distance) P-C4' energy: -93.274 flat angles C4'-P-C4' energy: -108.667 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -113.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1429.053832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.053832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.053832 (E_RNA) where: Base-Base interactions energy: -961.025 where: short stacking energy: -402.605 Base-Backbone interact. energy: -3.941 local terms energy: -464.087908 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -88.390 flat angles C4'-P-C4' energy: -99.087 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -117.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1350.859182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.859182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.859182 (E_RNA) where: Base-Base interactions energy: -893.715 where: short stacking energy: -368.110 Base-Backbone interact. energy: -2.322 local terms energy: -454.822485 where: bonds (distance) C4'-P energy: -88.085 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -96.723 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -101.266 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: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1413.681105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.681105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.681105 (E_RNA) where: Base-Base interactions energy: -956.348 where: short stacking energy: -397.937 Base-Backbone interact. energy: 1.078 local terms energy: -458.411780 where: bonds (distance) C4'-P energy: -89.383 bonds (distance) P-C4' energy: -99.271 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -60.404 tors. eta vs tors. theta energy: -105.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1208.724263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.724263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.724263 (E_RNA) where: Base-Base interactions energy: -801.838 where: short stacking energy: -335.949 Base-Backbone interact. energy: -2.256 local terms energy: -404.629836 where: bonds (distance) C4'-P energy: -79.866 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -81.921 flat angles P-C4'-P energy: -63.850 tors. eta vs tors. theta energy: -84.005 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: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -957.725225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.725225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.725225 (E_RNA) where: Base-Base interactions energy: -615.806 where: short stacking energy: -278.853 Base-Backbone interact. energy: 7.444 local terms energy: -349.363792 where: bonds (distance) C4'-P energy: -75.534 bonds (distance) P-C4' energy: -88.240 flat angles C4'-P-C4' energy: -80.202 flat angles P-C4'-P energy: -52.858 tors. eta vs tors. theta energy: -52.529 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: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -683.645463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.645463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.645463 (E_RNA) where: Base-Base interactions energy: -365.366 where: short stacking energy: -211.833 Base-Backbone interact. energy: 0.626 local terms energy: -318.905780 where: bonds (distance) C4'-P energy: -83.934 bonds (distance) P-C4' energy: -84.284 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -35.928 tors. eta vs tors. theta energy: -42.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -691.730994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.730994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.730994 (E_RNA) where: Base-Base interactions energy: -387.277 where: short stacking energy: -205.177 Base-Backbone interact. energy: 6.575 local terms energy: -311.029235 where: bonds (distance) C4'-P energy: -82.033 bonds (distance) P-C4' energy: -74.565 flat angles C4'-P-C4' energy: -84.610 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -21.876 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: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -497.907969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.907969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.907969 (E_RNA) where: Base-Base interactions energy: -247.567 where: short stacking energy: -141.789 Base-Backbone interact. energy: -0.239 local terms energy: -250.101907 where: bonds (distance) C4'-P energy: -70.073 bonds (distance) P-C4' energy: -76.395 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -35.563 tors. eta vs tors. theta energy: 6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1570.633800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.633800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.633800 (E_RNA) where: Base-Base interactions energy: -1070.644 where: short stacking energy: -466.412 Base-Backbone interact. energy: -2.383 local terms energy: -497.607292 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -95.941 flat angles C4'-P-C4' energy: -113.482 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: -115.888 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: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1505.793258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.793258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.793258 (E_RNA) where: Base-Base interactions energy: -1039.123 where: short stacking energy: -432.273 Base-Backbone interact. energy: -2.003 local terms energy: -464.668110 where: bonds (distance) C4'-P energy: -95.228 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -107.086 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -116.563 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: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1433.682377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.682377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.682377 (E_RNA) where: Base-Base interactions energy: -940.501 where: short stacking energy: -409.178 Base-Backbone interact. energy: -3.940 local terms energy: -489.241394 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -92.198 flat angles C4'-P-C4' energy: -118.156 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: -99.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1480.083581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.083581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.083581 (E_RNA) where: Base-Base interactions energy: -1038.672 where: short stacking energy: -408.156 Base-Backbone interact. energy: -1.129 local terms energy: -440.282952 where: bonds (distance) C4'-P energy: -83.943 bonds (distance) P-C4' energy: -81.653 flat angles C4'-P-C4' energy: -101.793 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -106.655 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: 5, replica: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1339.614583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.614583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.614583 (E_RNA) where: Base-Base interactions energy: -927.011 where: short stacking energy: -396.473 Base-Backbone interact. energy: -1.951 local terms energy: -410.651837 where: bonds (distance) C4'-P energy: -80.793 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -95.689 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -91.962 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: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1243.324304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.324304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.324304 (E_RNA) where: Base-Base interactions energy: -834.934 where: short stacking energy: -347.550 Base-Backbone interact. energy: -4.322 local terms energy: -404.068455 where: bonds (distance) C4'-P energy: -86.834 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -69.023 tors. eta vs tors. theta energy: -78.056 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: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -908.954601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.954601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.954601 (E_RNA) where: Base-Base interactions energy: -543.542 where: short stacking energy: -265.700 Base-Backbone interact. energy: -0.161 local terms energy: -365.250758 where: bonds (distance) C4'-P energy: -81.112 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -83.559 flat angles P-C4'-P energy: -63.930 tors. eta vs tors. theta energy: -52.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -814.190140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.190140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.190140 (E_RNA) where: Base-Base interactions energy: -476.013 where: short stacking energy: -263.546 Base-Backbone interact. energy: 0.343 local terms energy: -338.520050 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -79.760 flat angles C4'-P-C4' energy: -78.536 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -39.697 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: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -694.206099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.206099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.206099 (E_RNA) where: Base-Base interactions energy: -395.787 where: short stacking energy: -212.401 Base-Backbone interact. energy: -2.269 local terms energy: -296.150170 where: bonds (distance) C4'-P energy: -92.482 bonds (distance) P-C4' energy: -77.841 flat angles C4'-P-C4' energy: -62.672 flat angles P-C4'-P energy: -42.467 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: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -480.289124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.289124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.289124 (E_RNA) where: Base-Base interactions energy: -201.911 where: short stacking energy: -137.308 Base-Backbone interact. energy: -1.807 local terms energy: -276.571761 where: bonds (distance) C4'-P energy: -79.674 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -45.665 tors. eta vs tors. theta energy: 8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1591.196086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.196086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.196086 (E_RNA) where: Base-Base interactions energy: -1100.781 where: short stacking energy: -495.671 Base-Backbone interact. energy: -1.009 local terms energy: -489.405771 where: bonds (distance) C4'-P energy: -84.184 bonds (distance) P-C4' energy: -102.684 flat angles C4'-P-C4' energy: -104.865 flat angles P-C4'-P energy: -75.034 tors. eta vs tors. theta energy: -122.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1515.558219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.558219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.558219 (E_RNA) where: Base-Base interactions energy: -1044.579 where: short stacking energy: -447.373 Base-Backbone interact. energy: -4.291 local terms energy: -466.688290 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -78.899 tors. eta vs tors. theta energy: -123.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1514.559242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.559242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.559242 (E_RNA) where: Base-Base interactions energy: -1041.478 where: short stacking energy: -444.628 Base-Backbone interact. energy: 1.583 local terms energy: -474.664100 where: bonds (distance) C4'-P energy: -89.461 bonds (distance) P-C4' energy: -91.940 flat angles C4'-P-C4' energy: -111.084 flat angles P-C4'-P energy: -55.042 tors. eta vs tors. theta energy: -127.136 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: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1372.799450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.799450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.799450 (E_RNA) where: Base-Base interactions energy: -903.983 where: short stacking energy: -395.143 Base-Backbone interact. energy: -3.547 local terms energy: -465.268688 where: bonds (distance) C4'-P energy: -89.598 bonds (distance) P-C4' energy: -105.786 flat angles C4'-P-C4' energy: -98.662 flat angles P-C4'-P energy: -61.085 tors. eta vs tors. theta energy: -110.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1321.272333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.272333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.272333 (E_RNA) where: Base-Base interactions energy: -875.651 where: short stacking energy: -355.770 Base-Backbone interact. energy: -3.678 local terms energy: -441.943208 where: bonds (distance) C4'-P energy: -83.304 bonds (distance) P-C4' energy: -91.688 flat angles C4'-P-C4' energy: -103.179 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -91.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1221.705083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.705083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.705083 (E_RNA) where: Base-Base interactions energy: -826.567 where: short stacking energy: -351.401 Base-Backbone interact. energy: -2.548 local terms energy: -392.590358 where: bonds (distance) C4'-P energy: -84.855 bonds (distance) P-C4' energy: -88.433 flat angles C4'-P-C4' energy: -92.117 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -82.709 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: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -881.900629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.900629 (E_RNA) where: Base-Base interactions energy: -521.030 where: short stacking energy: -277.843 Base-Backbone interact. energy: -1.060 local terms energy: -359.810475 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -97.323 flat angles C4'-P-C4' energy: -89.421 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -42.509 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: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -820.787801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.787801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.787801 (E_RNA) where: Base-Base interactions energy: -482.954 where: short stacking energy: -259.374 Base-Backbone interact. energy: 1.219 local terms energy: -339.052713 where: bonds (distance) C4'-P energy: -80.263 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -78.565 flat angles P-C4'-P energy: -59.052 tors. eta vs tors. theta energy: -45.841 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: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -717.527595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.527595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.527595 (E_RNA) where: Base-Base interactions energy: -420.688 where: short stacking energy: -218.131 Base-Backbone interact. energy: -1.488 local terms energy: -295.351474 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -82.161 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -24.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -505.081434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.081434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.081434 (E_RNA) where: Base-Base interactions energy: -227.011 where: short stacking energy: -126.009 Base-Backbone interact. energy: -0.799 local terms energy: -277.270615 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -98.373 flat angles C4'-P-C4' energy: -80.625 flat angles P-C4'-P energy: -31.124 tors. eta vs tors. theta energy: 7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1583.524484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.524484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.524484 (E_RNA) where: Base-Base interactions energy: -1102.234 where: short stacking energy: -486.525 Base-Backbone interact. energy: -1.625 local terms energy: -479.665838 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -95.625 flat angles C4'-P-C4' energy: -98.211 flat angles P-C4'-P energy: -62.963 tors. eta vs tors. theta energy: -123.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1593.559300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.559300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.559300 (E_RNA) where: Base-Base interactions energy: -1110.640 where: short stacking energy: -462.913 Base-Backbone interact. energy: -1.895 local terms energy: -481.024442 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -101.907 flat angles C4'-P-C4' energy: -119.998 flat angles P-C4'-P energy: -48.120 tors. eta vs tors. theta energy: -132.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1465.666235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.666235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.666235 (E_RNA) where: Base-Base interactions energy: -1000.040 where: short stacking energy: -432.511 Base-Backbone interact. energy: -4.021 local terms energy: -461.605904 where: bonds (distance) C4'-P energy: -84.137 bonds (distance) P-C4' energy: -93.082 flat angles C4'-P-C4' energy: -113.753 flat angles P-C4'-P energy: -56.249 tors. eta vs tors. theta energy: -114.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1414.155859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.155859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.155859 (E_RNA) where: Base-Base interactions energy: -961.234 where: short stacking energy: -415.166 Base-Backbone interact. energy: 0.352 local terms energy: -453.273853 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -80.251 flat angles C4'-P-C4' energy: -102.526 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -110.134 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: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1313.442847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.442847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.442847 (E_RNA) where: Base-Base interactions energy: -882.422 where: short stacking energy: -386.006 Base-Backbone interact. energy: 0.292 local terms energy: -431.313014 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -86.253 flat angles C4'-P-C4' energy: -94.289 flat angles P-C4'-P energy: -56.943 tors. eta vs tors. theta energy: -106.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1278.366162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.366162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.366162 (E_RNA) where: Base-Base interactions energy: -866.500 where: short stacking energy: -376.795 Base-Backbone interact. energy: -0.018 local terms energy: -411.847660 where: bonds (distance) C4'-P energy: -77.972 bonds (distance) P-C4' energy: -97.348 flat angles C4'-P-C4' energy: -85.356 flat angles P-C4'-P energy: -46.895 tors. eta vs tors. theta energy: -104.277 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: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -852.786836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.786836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.786836 (E_RNA) where: Base-Base interactions energy: -517.028 where: short stacking energy: -252.801 Base-Backbone interact. energy: -1.291 local terms energy: -334.467960 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -102.764 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -41.635 tors. eta vs tors. theta energy: -36.735 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: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -795.069158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.069158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.069158 (E_RNA) where: Base-Base interactions energy: -465.529 where: short stacking energy: -251.863 Base-Backbone interact. energy: -2.020 local terms energy: -327.519374 where: bonds (distance) C4'-P energy: -79.013 bonds (distance) P-C4' energy: -77.736 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -47.817 tors. eta vs tors. theta energy: -48.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -693.845607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.845607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.845607 (E_RNA) where: Base-Base interactions energy: -381.995 where: short stacking energy: -214.748 Base-Backbone interact. energy: 2.412 local terms energy: -314.262338 where: bonds (distance) C4'-P energy: -92.504 bonds (distance) P-C4' energy: -78.612 flat angles C4'-P-C4' energy: -80.134 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -11.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -540.786837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.786837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.786837 (E_RNA) where: Base-Base interactions energy: -281.663 where: short stacking energy: -195.911 Base-Backbone interact. energy: 5.977 local terms energy: -265.101557 where: bonds (distance) C4'-P energy: -78.420 bonds (distance) P-C4' energy: -88.346 flat angles C4'-P-C4' energy: -56.561 flat angles P-C4'-P energy: -47.044 tors. eta vs tors. theta energy: 5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1621.692599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.692599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.692599 (E_RNA) where: Base-Base interactions energy: -1114.445 where: short stacking energy: -456.779 Base-Backbone interact. energy: 1.020 local terms energy: -508.267330 where: bonds (distance) C4'-P energy: -90.640 bonds (distance) P-C4' energy: -107.177 flat angles C4'-P-C4' energy: -112.841 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -127.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1524.436789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.436789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.436789 (E_RNA) where: Base-Base interactions energy: -1049.599 where: short stacking energy: -460.086 Base-Backbone interact. energy: -0.283 local terms energy: -474.554271 where: bonds (distance) C4'-P energy: -85.231 bonds (distance) P-C4' energy: -99.181 flat angles C4'-P-C4' energy: -115.067 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -119.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1424.881149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.881149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.881149 (E_RNA) where: Base-Base interactions energy: -957.095 where: short stacking energy: -401.339 Base-Backbone interact. energy: 1.481 local terms energy: -469.267720 where: bonds (distance) C4'-P energy: -90.025 bonds (distance) P-C4' energy: -100.914 flat angles C4'-P-C4' energy: -112.065 flat angles P-C4'-P energy: -67.997 tors. eta vs tors. theta energy: -98.267 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: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1392.131849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.131849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.131849 (E_RNA) where: Base-Base interactions energy: -945.558 where: short stacking energy: -420.758 Base-Backbone interact. energy: -0.730 local terms energy: -445.843736 where: bonds (distance) C4'-P energy: -82.217 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -92.650 flat angles P-C4'-P energy: -69.362 tors. eta vs tors. theta energy: -104.425 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1340.997795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.997795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.997795 (E_RNA) where: Base-Base interactions energy: -914.050 where: short stacking energy: -364.532 Base-Backbone interact. energy: -4.474 local terms energy: -422.473775 where: bonds (distance) C4'-P energy: -86.791 bonds (distance) P-C4' energy: -83.949 flat angles C4'-P-C4' energy: -90.369 flat angles P-C4'-P energy: -59.048 tors. eta vs tors. theta energy: -102.316 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: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1262.577561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.577561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.577561 (E_RNA) where: Base-Base interactions energy: -843.951 where: short stacking energy: -379.904 Base-Backbone interact. energy: 2.119 local terms energy: -420.745889 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -87.480 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -87.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -897.146447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.146447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.146447 (E_RNA) where: Base-Base interactions energy: -537.048 where: short stacking energy: -301.734 Base-Backbone interact. energy: -0.865 local terms energy: -359.233012 where: bonds (distance) C4'-P energy: -71.838 bonds (distance) P-C4' energy: -89.414 flat angles C4'-P-C4' energy: -92.055 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -46.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -735.955746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.955746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.955746 (E_RNA) where: Base-Base interactions energy: -418.748 where: short stacking energy: -238.387 Base-Backbone interact. energy: 1.788 local terms energy: -318.995702 where: bonds (distance) C4'-P energy: -70.453 bonds (distance) P-C4' energy: -90.096 flat angles C4'-P-C4' energy: -78.132 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -27.809 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: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -629.502281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.502281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.502281 (E_RNA) where: Base-Base interactions energy: -356.403 where: short stacking energy: -201.830 Base-Backbone interact. energy: 7.053 local terms energy: -280.152422 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -75.986 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -536.533420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.533420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.533420 (E_RNA) where: Base-Base interactions energy: -266.373 where: short stacking energy: -182.562 Base-Backbone interact. energy: 1.063 local terms energy: -271.223588 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -70.860 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: -10.696 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: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1641.419085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.419085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.419085 (E_RNA) where: Base-Base interactions energy: -1153.373 where: short stacking energy: -489.675 Base-Backbone interact. energy: -0.558 local terms energy: -487.488100 where: bonds (distance) C4'-P energy: -85.349 bonds (distance) P-C4' energy: -104.330 flat angles C4'-P-C4' energy: -108.090 flat angles P-C4'-P energy: -69.211 tors. eta vs tors. theta energy: -120.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1514.068078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.068078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.068078 (E_RNA) where: Base-Base interactions energy: -1051.419 where: short stacking energy: -447.896 Base-Backbone interact. energy: -2.025 local terms energy: -460.624757 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -105.055 flat angles P-C4'-P energy: -67.177 tors. eta vs tors. theta energy: -113.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1423.220255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.220255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.220255 (E_RNA) where: Base-Base interactions energy: -953.195 where: short stacking energy: -428.297 Base-Backbone interact. energy: 0.245 local terms energy: -470.270317 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -98.653 flat angles C4'-P-C4' energy: -97.894 flat angles P-C4'-P energy: -72.433 tors. eta vs tors. theta energy: -109.949 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: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1407.553385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.553385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.553385 (E_RNA) where: Base-Base interactions energy: -963.084 where: short stacking energy: -389.456 Base-Backbone interact. energy: -1.037 local terms energy: -443.432553 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -79.982 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -106.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1335.481419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.481419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.481419 (E_RNA) where: Base-Base interactions energy: -895.349 where: short stacking energy: -396.650 Base-Backbone interact. energy: 1.037 local terms energy: -441.169825 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -92.005 flat angles C4'-P-C4' energy: -94.748 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: -100.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1211.823178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.823178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.823178 (E_RNA) where: Base-Base interactions energy: -831.028 where: short stacking energy: -350.213 Base-Backbone interact. energy: -0.876 local terms energy: -379.919747 where: bonds (distance) C4'-P energy: -63.171 bonds (distance) P-C4' energy: -86.020 flat angles C4'-P-C4' energy: -95.550 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -87.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -890.172458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.172458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.172458 (E_RNA) where: Base-Base interactions energy: -526.285 where: short stacking energy: -272.900 Base-Backbone interact. energy: -3.212 local terms energy: -360.676315 where: bonds (distance) C4'-P energy: -100.027 bonds (distance) P-C4' energy: -87.161 flat angles C4'-P-C4' energy: -73.638 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -52.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -617.028934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.028934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.028934 (E_RNA) where: Base-Base interactions energy: -316.342 where: short stacking energy: -185.726 Base-Backbone interact. energy: 2.555 local terms energy: -303.241829 where: bonds (distance) C4'-P energy: -91.294 bonds (distance) P-C4' energy: -75.366 flat angles C4'-P-C4' energy: -60.479 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -19.755 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: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -692.863019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.863019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.863019 (E_RNA) where: Base-Base interactions energy: -346.640 where: short stacking energy: -191.856 Base-Backbone interact. energy: -0.093 local terms energy: -346.130040 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -88.763 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -32.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -485.009994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.009994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.009994 (E_RNA) where: Base-Base interactions energy: -234.823 where: short stacking energy: -152.092 Base-Backbone interact. energy: -2.839 local terms energy: -247.348077 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -86.923 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -38.401 tors. eta vs tors. theta energy: 3.571 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1664.151579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.151579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.151579 (E_RNA) where: Base-Base interactions energy: -1165.936 where: short stacking energy: -491.873 Base-Backbone interact. energy: -0.932 local terms energy: -497.283856 where: bonds (distance) C4'-P energy: -87.398 bonds (distance) P-C4' energy: -102.158 flat angles C4'-P-C4' energy: -115.426 flat angles P-C4'-P energy: -60.491 tors. eta vs tors. theta energy: -131.810 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: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1483.541414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.541414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.541414 (E_RNA) where: Base-Base interactions energy: -1007.211 where: short stacking energy: -428.672 Base-Backbone interact. energy: -2.078 local terms energy: -474.251833 where: bonds (distance) C4'-P energy: -94.133 bonds (distance) P-C4' energy: -92.719 flat angles C4'-P-C4' energy: -105.250 flat angles P-C4'-P energy: -71.162 tors. eta vs tors. theta energy: -110.988 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: 48 Temperature: 1.000000 Total energy: -1478.634846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.634846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.634846 (E_RNA) where: Base-Base interactions energy: -1042.732 where: short stacking energy: -447.843 Base-Backbone interact. energy: -0.343 local terms energy: -435.559870 where: bonds (distance) C4'-P energy: -83.706 bonds (distance) P-C4' energy: -82.041 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -113.823 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: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1356.650976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.650976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.650976 (E_RNA) where: Base-Base interactions energy: -910.402 where: short stacking energy: -385.892 Base-Backbone interact. energy: -6.214 local terms energy: -440.035525 where: bonds (distance) C4'-P energy: -93.407 bonds (distance) P-C4' energy: -94.073 flat angles C4'-P-C4' energy: -97.035 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -98.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1366.016171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.016171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.016171 (E_RNA) where: Base-Base interactions energy: -938.716 where: short stacking energy: -405.723 Base-Backbone interact. energy: -0.941 local terms energy: -426.358678 where: bonds (distance) C4'-P energy: -84.186 bonds (distance) P-C4' energy: -94.704 flat angles C4'-P-C4' energy: -101.828 flat angles P-C4'-P energy: -56.114 tors. eta vs tors. theta energy: -89.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1259.612885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.612885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.612885 (E_RNA) where: Base-Base interactions energy: -834.039 where: short stacking energy: -370.362 Base-Backbone interact. energy: -1.773 local terms energy: -423.801000 where: bonds (distance) C4'-P energy: -93.375 bonds (distance) P-C4' energy: -91.425 flat angles C4'-P-C4' energy: -77.546 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -97.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -923.891485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.891485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.891485 (E_RNA) where: Base-Base interactions energy: -576.101 where: short stacking energy: -284.665 Base-Backbone interact. energy: -0.642 local terms energy: -347.149225 where: bonds (distance) C4'-P energy: -90.081 bonds (distance) P-C4' energy: -85.473 flat angles C4'-P-C4' energy: -82.107 flat angles P-C4'-P energy: -45.426 tors. eta vs tors. theta energy: -44.062 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: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -643.985568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.985568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.985568 (E_RNA) where: Base-Base interactions energy: -351.655 where: short stacking energy: -190.405 Base-Backbone interact. energy: -3.446 local terms energy: -288.883976 where: bonds (distance) C4'-P energy: -71.428 bonds (distance) P-C4' energy: -83.022 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: 4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -690.738365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.738365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.738365 (E_RNA) where: Base-Base interactions energy: -360.246 where: short stacking energy: -198.040 Base-Backbone interact. energy: 0.294 local terms energy: -330.786504 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -24.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -510.524154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.524154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.524154 (E_RNA) where: Base-Base interactions energy: -236.571 where: short stacking energy: -166.430 Base-Backbone interact. energy: 1.108 local terms energy: -275.060967 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -93.513 flat angles C4'-P-C4' energy: -78.024 flat angles P-C4'-P energy: -43.358 tors. eta vs tors. theta energy: 4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1660.439803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.439803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.439803 (E_RNA) where: Base-Base interactions energy: -1151.704 where: short stacking energy: -473.540 Base-Backbone interact. energy: 0.390 local terms energy: -509.126046 where: bonds (distance) C4'-P energy: -99.456 bonds (distance) P-C4' energy: -102.037 flat angles C4'-P-C4' energy: -104.199 flat angles P-C4'-P energy: -68.193 tors. eta vs tors. theta energy: -135.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1525.805556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.805556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.805556 (E_RNA) where: Base-Base interactions energy: -1038.397 where: short stacking energy: -450.184 Base-Backbone interact. energy: -0.687 local terms energy: -486.720869 where: bonds (distance) C4'-P energy: -92.814 bonds (distance) P-C4' energy: -100.381 flat angles C4'-P-C4' energy: -103.765 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -113.762 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: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1462.916427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.916427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.916427 (E_RNA) where: Base-Base interactions energy: -994.586 where: short stacking energy: -446.653 Base-Backbone interact. energy: -0.635 local terms energy: -467.695868 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -101.536 flat angles C4'-P-C4' energy: -104.371 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -108.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1409.312560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.312560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.312560 (E_RNA) where: Base-Base interactions energy: -946.226 where: short stacking energy: -410.410 Base-Backbone interact. energy: 3.188 local terms energy: -466.274207 where: bonds (distance) C4'-P energy: -85.149 bonds (distance) P-C4' energy: -99.983 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -107.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1332.180730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.180730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.180730 (E_RNA) where: Base-Base interactions energy: -880.130 where: short stacking energy: -387.504 Base-Backbone interact. energy: -4.383 local terms energy: -447.667313 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -96.368 flat angles C4'-P-C4' energy: -99.694 flat angles P-C4'-P energy: -55.242 tors. eta vs tors. theta energy: -106.978 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: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1257.831179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.831179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.831179 (E_RNA) where: Base-Base interactions energy: -868.808 where: short stacking energy: -360.989 Base-Backbone interact. energy: 0.523 local terms energy: -389.546299 where: bonds (distance) C4'-P energy: -75.023 bonds (distance) P-C4' energy: -69.864 flat angles C4'-P-C4' energy: -98.893 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -80.206 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: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -946.274406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.274406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.274406 (E_RNA) where: Base-Base interactions energy: -595.925 where: short stacking energy: -309.497 Base-Backbone interact. energy: 0.088 local terms energy: -350.436458 where: bonds (distance) C4'-P energy: -74.388 bonds (distance) P-C4' energy: -81.358 flat angles C4'-P-C4' energy: -82.455 flat angles P-C4'-P energy: -42.043 tors. eta vs tors. theta energy: -70.194 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: 49 Temperature: 1.250000 Total energy: -636.106377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.106377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.106377 (E_RNA) where: Base-Base interactions energy: -346.475 where: short stacking energy: -181.119 Base-Backbone interact. energy: 2.425 local terms energy: -292.056217 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: -14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -691.135693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.135693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.135693 (E_RNA) where: Base-Base interactions energy: -412.101 where: short stacking energy: -232.112 Base-Backbone interact. energy: 1.458 local terms energy: -280.492380 where: bonds (distance) C4'-P energy: -77.163 bonds (distance) P-C4' energy: -78.715 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -22.675 tors. eta vs tors. theta energy: -24.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -557.892507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.892507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.892507 (E_RNA) where: Base-Base interactions energy: -265.451 where: short stacking energy: -156.361 Base-Backbone interact. energy: 5.114 local terms energy: -297.556003 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -10.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1657.202168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.202168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.202168 (E_RNA) where: Base-Base interactions energy: -1180.278 where: short stacking energy: -507.739 Base-Backbone interact. energy: -1.085 local terms energy: -475.839315 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -102.409 flat angles C4'-P-C4' energy: -106.964 flat angles P-C4'-P energy: -49.434 tors. eta vs tors. theta energy: -128.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1518.808049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.808049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.808049 (E_RNA) where: Base-Base interactions energy: -1014.360 where: short stacking energy: -442.959 Base-Backbone interact. energy: -3.277 local terms energy: -501.171629 where: bonds (distance) C4'-P energy: -96.331 bonds (distance) P-C4' energy: -104.650 flat angles C4'-P-C4' energy: -106.207 flat angles P-C4'-P energy: -69.107 tors. eta vs tors. theta energy: -124.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1444.232617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.232617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.232617 (E_RNA) where: Base-Base interactions energy: -988.930 where: short stacking energy: -431.140 Base-Backbone interact. energy: -2.538 local terms energy: -452.764472 where: bonds (distance) C4'-P energy: -81.022 bonds (distance) P-C4' energy: -98.080 flat angles C4'-P-C4' energy: -101.198 flat angles P-C4'-P energy: -65.481 tors. eta vs tors. theta energy: -106.984 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: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1366.680124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.680124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.680124 (E_RNA) where: Base-Base interactions energy: -907.765 where: short stacking energy: -374.472 Base-Backbone interact. energy: -1.992 local terms energy: -456.923498 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -99.763 flat angles P-C4'-P energy: -72.222 tors. eta vs tors. theta energy: -102.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1292.187080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.187080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.187080 (E_RNA) where: Base-Base interactions energy: -879.447 where: short stacking energy: -379.223 Base-Backbone interact. energy: -1.501 local terms energy: -411.239060 where: bonds (distance) C4'-P energy: -84.693 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -95.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1224.690335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.690335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.690335 (E_RNA) where: Base-Base interactions energy: -824.440 where: short stacking energy: -356.299 Base-Backbone interact. energy: -1.227 local terms energy: -399.023691 where: bonds (distance) C4'-P energy: -79.965 bonds (distance) P-C4' energy: -88.874 flat angles C4'-P-C4' energy: -97.872 flat angles P-C4'-P energy: -54.496 tors. eta vs tors. theta energy: -77.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -926.911737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.911737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.911737 (E_RNA) where: Base-Base interactions energy: -561.589 where: short stacking energy: -272.834 Base-Backbone interact. energy: -0.928 local terms energy: -364.395250 where: bonds (distance) C4'-P energy: -76.355 bonds (distance) P-C4' energy: -89.476 flat angles C4'-P-C4' energy: -86.998 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -49.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -647.384983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.384983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.384983 (E_RNA) where: Base-Base interactions energy: -338.310 where: short stacking energy: -201.471 Base-Backbone interact. energy: -1.182 local terms energy: -307.892845 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -81.793 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -11.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -718.926471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.926471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.926471 (E_RNA) where: Base-Base interactions energy: -391.769 where: short stacking energy: -226.257 Base-Backbone interact. energy: -2.097 local terms energy: -325.060590 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -84.543 flat angles C4'-P-C4' energy: -83.028 flat angles P-C4'-P energy: -54.290 tors. eta vs tors. theta energy: -19.413 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: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -572.545003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.545003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.545003 (E_RNA) where: Base-Base interactions energy: -279.411 where: short stacking energy: -164.617 Base-Backbone interact. energy: 1.267 local terms energy: -294.401264 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -77.694 flat angles P-C4'-P energy: -46.576 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: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1702.401757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.401757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.401757 (E_RNA) where: Base-Base interactions energy: -1192.199 where: short stacking energy: -509.260 Base-Backbone interact. energy: -3.442 local terms energy: -506.760503 where: bonds (distance) C4'-P energy: -98.792 bonds (distance) P-C4' energy: -113.718 flat angles C4'-P-C4' energy: -108.760 flat angles P-C4'-P energy: -62.490 tors. eta vs tors. theta energy: -123.000 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: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1542.636430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.636430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.636430 (E_RNA) where: Base-Base interactions energy: -1057.688 where: short stacking energy: -451.087 Base-Backbone interact. energy: -0.789 local terms energy: -484.159391 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -98.847 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -121.150 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: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1485.839196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.839196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.839196 (E_RNA) where: Base-Base interactions energy: -1021.469 where: short stacking energy: -451.127 Base-Backbone interact. energy: -4.239 local terms energy: -460.130458 where: bonds (distance) C4'-P energy: -78.991 bonds (distance) P-C4' energy: -95.214 flat angles C4'-P-C4' energy: -97.514 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -122.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1358.989521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.989521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.989521 (E_RNA) where: Base-Base interactions energy: -922.455 where: short stacking energy: -403.937 Base-Backbone interact. energy: -1.384 local terms energy: -435.151022 where: bonds (distance) C4'-P energy: -87.763 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -102.070 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -101.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1306.563306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.563306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.563306 (E_RNA) where: Base-Base interactions energy: -877.715 where: short stacking energy: -372.898 Base-Backbone interact. energy: -2.241 local terms energy: -426.606577 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -93.676 flat angles C4'-P-C4' energy: -102.811 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -99.273 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: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1195.459015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.459015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.459015 (E_RNA) where: Base-Base interactions energy: -807.780 where: short stacking energy: -344.508 Base-Backbone interact. energy: -1.906 local terms energy: -385.773654 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -72.289 flat angles C4'-P-C4' energy: -91.594 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -75.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -951.731315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.731315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.731315 (E_RNA) where: Base-Base interactions energy: -584.165 where: short stacking energy: -292.596 Base-Backbone interact. energy: -0.395 local terms energy: -367.171025 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -82.115 flat angles C4'-P-C4' energy: -94.999 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: -57.487 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: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -681.566081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.566081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.566081 (E_RNA) where: Base-Base interactions energy: -357.130 where: short stacking energy: -193.240 Base-Backbone interact. energy: -3.191 local terms energy: -321.245170 where: bonds (distance) C4'-P energy: -77.680 bonds (distance) P-C4' energy: -88.397 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -666.887745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.887745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.887745 (E_RNA) where: Base-Base interactions energy: -367.599 where: short stacking energy: -193.041 Base-Backbone interact. energy: -0.062 local terms energy: -299.226614 where: bonds (distance) C4'-P energy: -70.682 bonds (distance) P-C4' energy: -98.884 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -14.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -532.869135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.869135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.869135 (E_RNA) where: Base-Base interactions energy: -243.447 where: short stacking energy: -156.462 Base-Backbone interact. energy: 7.662 local terms energy: -297.084538 where: bonds (distance) C4'-P energy: -80.345 bonds (distance) P-C4' energy: -90.667 flat angles C4'-P-C4' energy: -82.925 flat angles P-C4'-P energy: -52.588 tors. eta vs tors. theta energy: 9.440 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: 52 Temperature: 0.900000 Total energy: -1663.588661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.588661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.588661 (E_RNA) where: Base-Base interactions energy: -1179.826 where: short stacking energy: -477.739 Base-Backbone interact. energy: 5.372 local terms energy: -489.134519 where: bonds (distance) C4'-P energy: -100.692 bonds (distance) P-C4' energy: -92.078 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -120.875 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: 52 Temperature: 0.950000 Total energy: -1582.087624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.087624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.087624 (E_RNA) where: Base-Base interactions energy: -1089.924 where: short stacking energy: -451.113 Base-Backbone interact. energy: -0.052 local terms energy: -492.112101 where: bonds (distance) C4'-P energy: -100.120 bonds (distance) P-C4' energy: -101.132 flat angles C4'-P-C4' energy: -96.654 flat angles P-C4'-P energy: -77.481 tors. eta vs tors. theta energy: -116.725 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: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1454.236281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.236281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.236281 (E_RNA) where: Base-Base interactions energy: -983.718 where: short stacking energy: -425.522 Base-Backbone interact. energy: -1.431 local terms energy: -469.087971 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -88.771 flat angles C4'-P-C4' energy: -106.700 flat angles P-C4'-P energy: -68.250 tors. eta vs tors. theta energy: -115.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1413.646966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.646966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.646966 (E_RNA) where: Base-Base interactions energy: -941.185 where: short stacking energy: -397.931 Base-Backbone interact. energy: -4.574 local terms energy: -467.887278 where: bonds (distance) C4'-P energy: -97.701 bonds (distance) P-C4' energy: -86.883 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: -121.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1310.779627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.779627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.779627 (E_RNA) where: Base-Base interactions energy: -858.355 where: short stacking energy: -358.938 Base-Backbone interact. energy: -3.672 local terms energy: -448.752631 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -101.388 flat angles C4'-P-C4' energy: -105.983 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -91.133 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: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1197.068801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.068801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.068801 (E_RNA) where: Base-Base interactions energy: -785.907 where: short stacking energy: -345.765 Base-Backbone interact. energy: 0.022 local terms energy: -411.183805 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -103.818 flat angles P-C4'-P energy: -41.625 tors. eta vs tors. theta energy: -79.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -989.409374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.409374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.409374 (E_RNA) where: Base-Base interactions energy: -606.532 where: short stacking energy: -303.958 Base-Backbone interact. energy: -1.879 local terms energy: -380.998274 where: bonds (distance) C4'-P energy: -76.841 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -61.586 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: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -639.555840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.555840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.555840 (E_RNA) where: Base-Base interactions energy: -311.520 where: short stacking energy: -195.742 Base-Backbone interact. energy: 1.358 local terms energy: -329.394464 where: bonds (distance) C4'-P energy: -84.188 bonds (distance) P-C4' energy: -87.994 flat angles C4'-P-C4' energy: -83.524 flat angles P-C4'-P energy: -47.281 tors. eta vs tors. theta energy: -26.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -648.758464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.758464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.758464 (E_RNA) where: Base-Base interactions energy: -342.005 where: short stacking energy: -180.357 Base-Backbone interact. energy: 0.302 local terms energy: -307.055629 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -95.632 flat angles C4'-P-C4' energy: -86.696 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: 3.115 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: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -557.501918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.501918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.501918 (E_RNA) where: Base-Base interactions energy: -283.893 where: short stacking energy: -159.696 Base-Backbone interact. energy: -0.781 local terms energy: -272.827978 where: bonds (distance) C4'-P energy: -63.629 bonds (distance) P-C4' energy: -86.623 flat angles C4'-P-C4' energy: -86.673 flat angles P-C4'-P energy: -37.585 tors. eta vs tors. theta energy: 1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1640.127597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.127597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.127597 (E_RNA) where: Base-Base interactions energy: -1134.496 where: short stacking energy: -490.434 Base-Backbone interact. energy: -1.555 local terms energy: -504.076141 where: bonds (distance) C4'-P energy: -97.897 bonds (distance) P-C4' energy: -96.080 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -66.901 tors. eta vs tors. theta energy: -126.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1569.310444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.310444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.310444 (E_RNA) where: Base-Base interactions energy: -1071.385 where: short stacking energy: -477.410 Base-Backbone interact. energy: 0.551 local terms energy: -498.475775 where: bonds (distance) C4'-P energy: -99.803 bonds (distance) P-C4' energy: -103.170 flat angles C4'-P-C4' energy: -114.861 flat angles P-C4'-P energy: -56.262 tors. eta vs tors. theta energy: -124.379 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: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1473.414982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.414982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.414982 (E_RNA) where: Base-Base interactions energy: -1000.702 where: short stacking energy: -438.064 Base-Backbone interact. energy: -1.952 local terms energy: -470.760975 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -97.790 flat angles C4'-P-C4' energy: -98.441 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -115.148 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: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1427.715269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.715269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.715269 (E_RNA) where: Base-Base interactions energy: -973.479 where: short stacking energy: -414.605 Base-Backbone interact. energy: 0.410 local terms energy: -454.646597 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -100.584 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -108.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1272.314824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.314824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.314824 (E_RNA) where: Base-Base interactions energy: -823.002 where: short stacking energy: -371.662 Base-Backbone interact. energy: -1.438 local terms energy: -447.874722 where: bonds (distance) C4'-P energy: -94.849 bonds (distance) P-C4' energy: -92.356 flat angles C4'-P-C4' energy: -102.627 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -92.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1184.754348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.754348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.754348 (E_RNA) where: Base-Base interactions energy: -790.781 where: short stacking energy: -352.667 Base-Backbone interact. energy: -1.228 local terms energy: -392.745271 where: bonds (distance) C4'-P energy: -82.564 bonds (distance) P-C4' energy: -84.834 flat angles C4'-P-C4' energy: -96.237 flat angles P-C4'-P energy: -41.912 tors. eta vs tors. theta energy: -87.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -911.851186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.851186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.851186 (E_RNA) where: Base-Base interactions energy: -544.514 where: short stacking energy: -264.259 Base-Backbone interact. energy: -1.192 local terms energy: -366.145455 where: bonds (distance) C4'-P energy: -81.680 bonds (distance) P-C4' energy: -102.541 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -57.827 tors. eta vs tors. theta energy: -52.048 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: 53 Temperature: 1.250000 Total energy: -619.557527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.557527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.557527 (E_RNA) where: Base-Base interactions energy: -325.766 where: short stacking energy: -190.748 Base-Backbone interact. energy: 0.093 local terms energy: -293.884983 where: bonds (distance) C4'-P energy: -74.791 bonds (distance) P-C4' energy: -78.034 flat angles C4'-P-C4' energy: -76.523 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -679.266164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.266164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.266164 (E_RNA) where: Base-Base interactions energy: -351.493 where: short stacking energy: -188.869 Base-Backbone interact. energy: 3.392 local terms energy: -331.164975 where: bonds (distance) C4'-P energy: -84.896 bonds (distance) P-C4' energy: -85.005 flat angles C4'-P-C4' energy: -83.442 flat angles P-C4'-P energy: -47.077 tors. eta vs tors. theta energy: -30.746 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: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -508.685979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.685979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.685979 (E_RNA) where: Base-Base interactions energy: -212.416 where: short stacking energy: -99.418 Base-Backbone interact. energy: -1.172 local terms energy: -295.097994 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -96.118 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: 21.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1639.182356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.182356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.182356 (E_RNA) where: Base-Base interactions energy: -1145.535 where: short stacking energy: -477.792 Base-Backbone interact. energy: 4.981 local terms energy: -498.627859 where: bonds (distance) C4'-P energy: -96.016 bonds (distance) P-C4' energy: -100.374 flat angles C4'-P-C4' energy: -113.954 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: -122.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1559.782250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.782250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.782250 (E_RNA) where: Base-Base interactions energy: -1065.516 where: short stacking energy: -441.083 Base-Backbone interact. energy: -2.146 local terms energy: -492.120568 where: bonds (distance) C4'-P energy: -95.244 bonds (distance) P-C4' energy: -100.806 flat angles C4'-P-C4' energy: -113.298 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -117.505 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: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1500.239267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.239267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.239267 (E_RNA) where: Base-Base interactions energy: -1016.555 where: short stacking energy: -446.634 Base-Backbone interact. energy: -0.541 local terms energy: -483.143619 where: bonds (distance) C4'-P energy: -81.529 bonds (distance) P-C4' energy: -106.497 flat angles C4'-P-C4' energy: -102.279 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -127.753 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: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1425.836245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.836245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.836245 (E_RNA) where: Base-Base interactions energy: -956.978 where: short stacking energy: -416.994 Base-Backbone interact. energy: -1.086 local terms energy: -467.772077 where: bonds (distance) C4'-P energy: -85.998 bonds (distance) P-C4' energy: -100.462 flat angles C4'-P-C4' energy: -102.552 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -104.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1256.569057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.569057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.569057 (E_RNA) where: Base-Base interactions energy: -816.148 where: short stacking energy: -374.491 Base-Backbone interact. energy: -0.640 local terms energy: -439.781270 where: bonds (distance) C4'-P energy: -92.750 bonds (distance) P-C4' energy: -87.982 flat angles C4'-P-C4' energy: -97.831 flat angles P-C4'-P energy: -62.923 tors. eta vs tors. theta energy: -98.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1217.382275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.382275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.382275 (E_RNA) where: Base-Base interactions energy: -802.984 where: short stacking energy: -341.105 Base-Backbone interact. energy: -2.559 local terms energy: -411.838478 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -86.643 flat angles C4'-P-C4' energy: -93.490 flat angles P-C4'-P energy: -62.016 tors. eta vs tors. theta energy: -81.502 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: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -962.104042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.104042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.104042 (E_RNA) where: Base-Base interactions energy: -599.726 where: short stacking energy: -264.429 Base-Backbone interact. energy: -1.687 local terms energy: -360.691455 where: bonds (distance) C4'-P energy: -83.006 bonds (distance) P-C4' energy: -91.991 flat angles C4'-P-C4' energy: -91.314 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -45.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -762.931363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.931363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.931363 (E_RNA) where: Base-Base interactions energy: -449.385 where: short stacking energy: -218.381 Base-Backbone interact. energy: 1.173 local terms energy: -314.719009 where: bonds (distance) C4'-P energy: -82.047 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -76.636 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -36.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -656.313039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.313039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.313039 (E_RNA) where: Base-Base interactions energy: -346.564 where: short stacking energy: -195.585 Base-Backbone interact. energy: 0.398 local terms energy: -310.146444 where: bonds (distance) C4'-P energy: -88.538 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -74.878 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -600.385848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.385848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.385848 (E_RNA) where: Base-Base interactions energy: -313.277 where: short stacking energy: -177.161 Base-Backbone interact. energy: -1.199 local terms energy: -285.910145 where: bonds (distance) C4'-P energy: -81.119 bonds (distance) P-C4' energy: -74.851 flat angles C4'-P-C4' energy: -79.667 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1654.691238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.691238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.691238 (E_RNA) where: Base-Base interactions energy: -1149.045 where: short stacking energy: -478.469 Base-Backbone interact. energy: -3.235 local terms energy: -502.411403 where: bonds (distance) C4'-P energy: -95.399 bonds (distance) P-C4' energy: -98.353 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -71.464 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: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1566.507534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.507534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.507534 (E_RNA) where: Base-Base interactions energy: -1085.766 where: short stacking energy: -444.567 Base-Backbone interact. energy: -3.734 local terms energy: -477.006857 where: bonds (distance) C4'-P energy: -94.124 bonds (distance) P-C4' energy: -87.716 flat angles C4'-P-C4' energy: -104.865 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -126.661 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: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1524.568357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.568357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.568357 (E_RNA) where: Base-Base interactions energy: -1018.384 where: short stacking energy: -435.627 Base-Backbone interact. energy: -6.581 local terms energy: -499.603645 where: bonds (distance) C4'-P energy: -88.105 bonds (distance) P-C4' energy: -102.209 flat angles C4'-P-C4' energy: -105.098 flat angles P-C4'-P energy: -68.609 tors. eta vs tors. theta energy: -135.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1466.015988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.015988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.015988 (E_RNA) where: Base-Base interactions energy: -993.483 where: short stacking energy: -431.174 Base-Backbone interact. energy: -3.374 local terms energy: -469.159063 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -112.250 flat angles P-C4'-P energy: -63.298 tors. eta vs tors. theta energy: -119.508 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: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1290.103993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.103993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.103993 (E_RNA) where: Base-Base interactions energy: -827.270 where: short stacking energy: -393.740 Base-Backbone interact. energy: -1.091 local terms energy: -461.742850 where: bonds (distance) C4'-P energy: -96.510 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -107.237 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -99.383 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: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1177.630513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.630513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.630513 (E_RNA) where: Base-Base interactions energy: -769.156 where: short stacking energy: -328.805 Base-Backbone interact. energy: -3.999 local terms energy: -404.475213 where: bonds (distance) C4'-P energy: -81.736 bonds (distance) P-C4' energy: -91.774 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: -84.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1026.691930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.691930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.691930 (E_RNA) where: Base-Base interactions energy: -651.894 where: short stacking energy: -297.521 Base-Backbone interact. energy: -2.737 local terms energy: -372.060048 where: bonds (distance) C4'-P energy: -97.116 bonds (distance) P-C4' energy: -88.481 flat angles C4'-P-C4' energy: -89.233 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -51.465 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: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -789.557274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.557274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.557274 (E_RNA) where: Base-Base interactions energy: -459.891 where: short stacking energy: -221.286 Base-Backbone interact. energy: -0.123 local terms energy: -329.543486 where: bonds (distance) C4'-P energy: -77.165 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -79.578 flat angles P-C4'-P energy: -49.850 tors. eta vs tors. theta energy: -40.858 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: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -627.357561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.357561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.357561 (E_RNA) where: Base-Base interactions energy: -337.793 where: short stacking energy: -218.355 Base-Backbone interact. energy: -1.010 local terms energy: -288.554825 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -83.303 flat angles C4'-P-C4' energy: -83.506 flat angles P-C4'-P energy: -30.669 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: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -576.080495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.080495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.080495 (E_RNA) where: Base-Base interactions energy: -298.852 where: short stacking energy: -156.582 Base-Backbone interact. energy: -2.304 local terms energy: -274.924823 where: bonds (distance) C4'-P energy: -74.037 bonds (distance) P-C4' energy: -83.627 flat angles C4'-P-C4' energy: -68.382 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -1.421 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: 56 Temperature: 0.900000 Total energy: -1641.177209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.177209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.177209 (E_RNA) where: Base-Base interactions energy: -1124.443 where: short stacking energy: -474.581 Base-Backbone interact. energy: -4.261 local terms energy: -512.473168 where: bonds (distance) C4'-P energy: -89.311 bonds (distance) P-C4' energy: -110.506 flat angles C4'-P-C4' energy: -104.221 flat angles P-C4'-P energy: -72.559 tors. eta vs tors. theta energy: -135.876 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: 56 Temperature: 0.950000 Total energy: -1570.905940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.905940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.905940 (E_RNA) where: Base-Base interactions energy: -1083.676 where: short stacking energy: -469.629 Base-Backbone interact. energy: -1.899 local terms energy: -485.331228 where: bonds (distance) C4'-P energy: -100.135 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: -134.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1501.664345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.664345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.664345 (E_RNA) where: Base-Base interactions energy: -1056.817 where: short stacking energy: -455.253 Base-Backbone interact. energy: -2.867 local terms energy: -441.981058 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -80.700 flat angles C4'-P-C4' energy: -92.674 flat angles P-C4'-P energy: -62.109 tors. eta vs tors. theta energy: -115.054 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: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1434.997155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.997155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.997155 (E_RNA) where: Base-Base interactions energy: -971.695 where: short stacking energy: -407.366 Base-Backbone interact. energy: -1.212 local terms energy: -462.089990 where: bonds (distance) C4'-P energy: -89.888 bonds (distance) P-C4' energy: -88.645 flat angles C4'-P-C4' energy: -112.362 flat angles P-C4'-P energy: -57.215 tors. eta vs tors. theta energy: -113.980 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: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1264.991262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.991262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.991262 (E_RNA) where: Base-Base interactions energy: -820.065 where: short stacking energy: -399.734 Base-Backbone interact. energy: -3.316 local terms energy: -441.610182 where: bonds (distance) C4'-P energy: -93.842 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -98.571 flat angles P-C4'-P energy: -59.756 tors. eta vs tors. theta energy: -105.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1223.336266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.336266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.336266 (E_RNA) where: Base-Base interactions energy: -851.147 where: short stacking energy: -339.867 Base-Backbone interact. energy: -0.169 local terms energy: -372.020222 where: bonds (distance) C4'-P energy: -88.776 bonds (distance) P-C4' energy: -68.101 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -74.322 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: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -962.318892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.318892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.318892 (E_RNA) where: Base-Base interactions energy: -593.767 where: short stacking energy: -266.878 Base-Backbone interact. energy: -1.131 local terms energy: -367.421099 where: bonds (distance) C4'-P energy: -97.326 bonds (distance) P-C4' energy: -74.653 flat angles C4'-P-C4' energy: -95.386 flat angles P-C4'-P energy: -57.953 tors. eta vs tors. theta energy: -42.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -756.182167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.182167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.182167 (E_RNA) where: Base-Base interactions energy: -449.281 where: short stacking energy: -258.562 Base-Backbone interact. energy: 2.842 local terms energy: -309.742762 where: bonds (distance) C4'-P energy: -65.835 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -84.353 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -47.227 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: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -587.587295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.587295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.587295 (E_RNA) where: Base-Base interactions energy: -285.107 where: short stacking energy: -170.161 Base-Backbone interact. energy: 3.049 local terms energy: -305.529001 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -99.168 flat angles C4'-P-C4' energy: -80.090 flat angles P-C4'-P energy: -40.546 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -486.374570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.374570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.374570 (E_RNA) where: Base-Base interactions energy: -240.447 where: short stacking energy: -123.652 Base-Backbone interact. energy: -3.485 local terms energy: -242.442610 where: bonds (distance) C4'-P energy: -73.138 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -56.750 flat angles P-C4'-P energy: -38.428 tors. eta vs tors. theta energy: 14.677 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: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1644.897226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.897226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.897226 (E_RNA) where: Base-Base interactions energy: -1147.349 where: short stacking energy: -481.133 Base-Backbone interact. energy: -1.276 local terms energy: -496.272011 where: bonds (distance) C4'-P energy: -97.437 bonds (distance) P-C4' energy: -90.341 flat angles C4'-P-C4' energy: -108.092 flat angles P-C4'-P energy: -77.716 tors. eta vs tors. theta energy: -122.686 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: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1596.188624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.188624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.188624 (E_RNA) where: Base-Base interactions energy: -1130.420 where: short stacking energy: -484.376 Base-Backbone interact. energy: -1.908 local terms energy: -463.860779 where: bonds (distance) C4'-P energy: -85.612 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -100.750 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -121.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1518.703843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.703843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.703843 (E_RNA) where: Base-Base interactions energy: -1049.979 where: short stacking energy: -438.196 Base-Backbone interact. energy: -3.764 local terms energy: -464.960299 where: bonds (distance) C4'-P energy: -85.105 bonds (distance) P-C4' energy: -90.675 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -58.472 tors. eta vs tors. theta energy: -122.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1438.895344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.895344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.895344 (E_RNA) where: Base-Base interactions energy: -984.281 where: short stacking energy: -425.571 Base-Backbone interact. energy: -1.126 local terms energy: -453.488358 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -89.939 flat angles C4'-P-C4' energy: -104.706 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -103.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1241.077280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.077280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.077280 (E_RNA) where: Base-Base interactions energy: -812.373 where: short stacking energy: -349.112 Base-Backbone interact. energy: -1.660 local terms energy: -427.044259 where: bonds (distance) C4'-P energy: -99.276 bonds (distance) P-C4' energy: -93.696 flat angles C4'-P-C4' energy: -93.813 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -73.382 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: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1257.925616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.925616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.925616 (E_RNA) where: Base-Base interactions energy: -841.835 where: short stacking energy: -341.190 Base-Backbone interact. energy: -4.094 local terms energy: -411.997102 where: bonds (distance) C4'-P energy: -67.361 bonds (distance) P-C4' energy: -87.649 flat angles C4'-P-C4' energy: -101.347 flat angles P-C4'-P energy: -66.444 tors. eta vs tors. theta energy: -89.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -931.311132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.311132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.311132 (E_RNA) where: Base-Base interactions energy: -593.495 where: short stacking energy: -289.558 Base-Backbone interact. energy: -2.538 local terms energy: -335.277402 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -76.670 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -38.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -765.230423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.230423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.230423 (E_RNA) where: Base-Base interactions energy: -438.810 where: short stacking energy: -233.288 Base-Backbone interact. energy: 4.871 local terms energy: -331.290769 where: bonds (distance) C4'-P energy: -77.025 bonds (distance) P-C4' energy: -81.674 flat angles C4'-P-C4' energy: -90.473 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -37.318 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: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -606.242677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.242677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.242677 (E_RNA) where: Base-Base interactions energy: -309.915 where: short stacking energy: -198.048 Base-Backbone interact. energy: -1.183 local terms energy: -295.145580 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -58.459 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -474.494426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.494426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.494426 (E_RNA) where: Base-Base interactions energy: -222.918 where: short stacking energy: -147.088 Base-Backbone interact. energy: 2.518 local terms energy: -254.094007 where: bonds (distance) C4'-P energy: -87.829 bonds (distance) P-C4' energy: -84.934 flat angles C4'-P-C4' energy: -49.214 flat angles P-C4'-P energy: -32.544 tors. eta vs tors. theta energy: 0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1655.179106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.179106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.179106 (E_RNA) where: Base-Base interactions energy: -1141.789 where: short stacking energy: -463.570 Base-Backbone interact. energy: -3.182 local terms energy: -510.207373 where: bonds (distance) C4'-P energy: -94.205 bonds (distance) P-C4' energy: -97.306 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -74.349 tors. eta vs tors. theta energy: -133.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1601.385959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.385959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.385959 (E_RNA) where: Base-Base interactions energy: -1104.691 where: short stacking energy: -447.309 Base-Backbone interact. energy: 1.369 local terms energy: -498.063842 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -88.200 flat angles C4'-P-C4' energy: -105.802 flat angles P-C4'-P energy: -81.338 tors. eta vs tors. theta energy: -134.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1530.416671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.416671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.416671 (E_RNA) where: Base-Base interactions energy: -1052.936 where: short stacking energy: -464.268 Base-Backbone interact. energy: -4.222 local terms energy: -473.258839 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -88.777 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -128.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1429.470151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.470151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.470151 (E_RNA) where: Base-Base interactions energy: -963.557 where: short stacking energy: -404.353 Base-Backbone interact. energy: -1.344 local terms energy: -464.569938 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -104.729 flat angles P-C4'-P energy: -58.639 tors. eta vs tors. theta energy: -110.441 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: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1302.427942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.427942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.427942 (E_RNA) where: Base-Base interactions energy: -857.696 where: short stacking energy: -403.691 Base-Backbone interact. energy: -2.437 local terms energy: -442.295200 where: bonds (distance) C4'-P energy: -86.670 bonds (distance) P-C4' energy: -87.164 flat angles C4'-P-C4' energy: -101.800 flat angles P-C4'-P energy: -61.081 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: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1202.776612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.776612 (E_RNA) where: Base-Base interactions energy: -801.252 where: short stacking energy: -353.828 Base-Backbone interact. energy: 1.682 local terms energy: -403.207067 where: bonds (distance) C4'-P energy: -86.834 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -55.783 tors. eta vs tors. theta energy: -82.224 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: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1004.724877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.724877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.724877 (E_RNA) where: Base-Base interactions energy: -662.373 where: short stacking energy: -320.525 Base-Backbone interact. energy: -1.534 local terms energy: -340.817970 where: bonds (distance) C4'-P energy: -77.884 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -80.229 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -69.077 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: 58 Temperature: 1.250000 Total energy: -788.112234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.112234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.112234 (E_RNA) where: Base-Base interactions energy: -457.374 where: short stacking energy: -215.139 Base-Backbone interact. energy: -2.572 local terms energy: -328.166102 where: bonds (distance) C4'-P energy: -89.014 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -25.817 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: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -608.996047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.996047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.996047 (E_RNA) where: Base-Base interactions energy: -319.856 where: short stacking energy: -169.281 Base-Backbone interact. energy: 3.593 local terms energy: -292.733147 where: bonds (distance) C4'-P energy: -86.919 bonds (distance) P-C4' energy: -82.511 flat angles C4'-P-C4' energy: -78.345 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -11.196 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: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -497.834702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.834702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.834702 (E_RNA) where: Base-Base interactions energy: -240.716 where: short stacking energy: -130.831 Base-Backbone interact. energy: -0.710 local terms energy: -256.408613 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -80.389 flat angles C4'-P-C4' energy: -60.448 flat angles P-C4'-P energy: -22.361 tors. eta vs tors. theta energy: -12.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1704.922876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.922876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.922876 (E_RNA) where: Base-Base interactions energy: -1191.720 where: short stacking energy: -489.460 Base-Backbone interact. energy: 1.203 local terms energy: -514.406037 where: bonds (distance) C4'-P energy: -93.815 bonds (distance) P-C4' energy: -93.330 flat angles C4'-P-C4' energy: -101.756 flat angles P-C4'-P energy: -79.268 tors. eta vs tors. theta energy: -146.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1579.413394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.413394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.413394 (E_RNA) where: Base-Base interactions energy: -1124.358 where: short stacking energy: -458.383 Base-Backbone interact. energy: -1.423 local terms energy: -453.632425 where: bonds (distance) C4'-P energy: -75.805 bonds (distance) P-C4' energy: -106.224 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -118.223 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: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1501.585075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.585075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.585075 (E_RNA) where: Base-Base interactions energy: -1027.040 where: short stacking energy: -430.529 Base-Backbone interact. energy: -1.361 local terms energy: -473.184572 where: bonds (distance) C4'-P energy: -80.342 bonds (distance) P-C4' energy: -99.508 flat angles C4'-P-C4' energy: -103.125 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -117.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1437.613877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.613877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.613877 (E_RNA) where: Base-Base interactions energy: -970.726 where: short stacking energy: -421.356 Base-Backbone interact. energy: -1.036 local terms energy: -465.851588 where: bonds (distance) C4'-P energy: -85.625 bonds (distance) P-C4' energy: -98.381 flat angles C4'-P-C4' energy: -103.015 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -115.441 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: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1282.585109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.585109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.585109 (E_RNA) where: Base-Base interactions energy: -861.412 where: short stacking energy: -393.283 Base-Backbone interact. energy: -0.051 local terms energy: -421.122021 where: bonds (distance) C4'-P energy: -81.948 bonds (distance) P-C4' energy: -83.817 flat angles C4'-P-C4' energy: -96.590 flat angles P-C4'-P energy: -56.011 tors. eta vs tors. theta energy: -102.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1157.111767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.111767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.111767 (E_RNA) where: Base-Base interactions energy: -757.271 where: short stacking energy: -354.017 Base-Backbone interact. energy: 0.291 local terms energy: -400.131249 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -83.416 flat angles C4'-P-C4' energy: -104.208 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: -93.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1068.585720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.585720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.585720 (E_RNA) where: Base-Base interactions energy: -673.811 where: short stacking energy: -302.386 Base-Backbone interact. energy: -1.540 local terms energy: -393.234431 where: bonds (distance) C4'-P energy: -97.002 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -87.921 flat angles P-C4'-P energy: -62.349 tors. eta vs tors. theta energy: -63.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -745.682852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.682852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.682852 (E_RNA) where: Base-Base interactions energy: -395.593 where: short stacking energy: -229.420 Base-Backbone interact. energy: -2.318 local terms energy: -347.771973 where: bonds (distance) C4'-P energy: -84.419 bonds (distance) P-C4' energy: -80.482 flat angles C4'-P-C4' energy: -84.941 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -44.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -576.839210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.839210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.839210 (E_RNA) where: Base-Base interactions energy: -284.053 where: short stacking energy: -161.276 Base-Backbone interact. energy: 0.915 local terms energy: -293.701450 where: bonds (distance) C4'-P energy: -74.403 bonds (distance) P-C4' energy: -81.866 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -54.956 tors. eta vs tors. theta energy: -15.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -483.541791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.541791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.541791 (E_RNA) where: Base-Base interactions energy: -201.270 where: short stacking energy: -140.869 Base-Backbone interact. energy: 1.178 local terms energy: -283.450304 where: bonds (distance) C4'-P energy: -85.631 bonds (distance) P-C4' energy: -90.857 flat angles C4'-P-C4' energy: -58.274 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: 1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1684.389745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.389745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.389745 (E_RNA) where: Base-Base interactions energy: -1158.623 where: short stacking energy: -472.646 Base-Backbone interact. energy: 0.012 local terms energy: -525.778055 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -108.406 flat angles C4'-P-C4' energy: -113.960 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -141.247 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1588.625883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.625883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.625883 (E_RNA) where: Base-Base interactions energy: -1115.384 where: short stacking energy: -472.526 Base-Backbone interact. energy: -3.847 local terms energy: -469.395359 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -55.615 tors. eta vs tors. theta energy: -130.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1505.134083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.134083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.134083 (E_RNA) where: Base-Base interactions energy: -1031.980 where: short stacking energy: -437.468 Base-Backbone interact. energy: -2.498 local terms energy: -470.655951 where: bonds (distance) C4'-P energy: -85.335 bonds (distance) P-C4' energy: -99.661 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -122.707 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: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1376.792162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.792162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.792162 (E_RNA) where: Base-Base interactions energy: -912.902 where: short stacking energy: -427.406 Base-Backbone interact. energy: 0.571 local terms energy: -464.461174 where: bonds (distance) C4'-P energy: -85.467 bonds (distance) P-C4' energy: -95.508 flat angles C4'-P-C4' energy: -100.364 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -116.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1289.713515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.713515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.713515 (E_RNA) where: Base-Base interactions energy: -880.073 where: short stacking energy: -369.207 Base-Backbone interact. energy: 2.531 local terms energy: -412.171304 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -89.043 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -87.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1170.983204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.983204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.983204 (E_RNA) where: Base-Base interactions energy: -782.035 where: short stacking energy: -342.333 Base-Backbone interact. energy: 0.680 local terms energy: -389.627823 where: bonds (distance) C4'-P energy: -76.551 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -77.846 flat angles P-C4'-P energy: -57.257 tors. eta vs tors. theta energy: -91.770 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: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1076.991008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.991008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.991008 (E_RNA) where: Base-Base interactions energy: -714.486 where: short stacking energy: -351.620 Base-Backbone interact. energy: -0.342 local terms energy: -362.163260 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -69.915 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: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -780.249053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.249053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.249053 (E_RNA) where: Base-Base interactions energy: -442.618 where: short stacking energy: -257.281 Base-Backbone interact. energy: 0.680 local terms energy: -338.311174 where: bonds (distance) C4'-P energy: -76.741 bonds (distance) P-C4' energy: -78.706 flat angles C4'-P-C4' energy: -88.563 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -38.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -593.538875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.538875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.538875 (E_RNA) where: Base-Base interactions energy: -306.749 where: short stacking energy: -151.668 Base-Backbone interact. energy: 0.125 local terms energy: -286.914508 where: bonds (distance) C4'-P energy: -82.758 bonds (distance) P-C4' energy: -74.438 flat angles C4'-P-C4' energy: -78.596 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: 6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -479.847494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.847494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.847494 (E_RNA) where: Base-Base interactions energy: -242.393 where: short stacking energy: -149.352 Base-Backbone interact. energy: 0.215 local terms energy: -237.669548 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -68.489 flat angles C4'-P-C4' energy: -61.407 flat angles P-C4'-P energy: -35.283 tors. eta vs tors. theta energy: 1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1703.003193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.003193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.003193 (E_RNA) where: Base-Base interactions energy: -1191.939 where: short stacking energy: -499.017 Base-Backbone interact. energy: 1.139 local terms energy: -512.203010 where: bonds (distance) C4'-P energy: -94.478 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -112.144 flat angles P-C4'-P energy: -69.328 tors. eta vs tors. theta energy: -135.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1589.187600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.187600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.187600 (E_RNA) where: Base-Base interactions energy: -1091.543 where: short stacking energy: -458.001 Base-Backbone interact. energy: -0.483 local terms energy: -497.161109 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -93.878 flat angles C4'-P-C4' energy: -107.028 flat angles P-C4'-P energy: -70.106 tors. eta vs tors. theta energy: -131.392 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1552.728910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.728910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.728910 (E_RNA) where: Base-Base interactions energy: -1054.949 where: short stacking energy: -463.802 Base-Backbone interact. energy: -1.879 local terms energy: -495.901851 where: bonds (distance) C4'-P energy: -93.333 bonds (distance) P-C4' energy: -96.423 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -128.341 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: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1410.328877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.328877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.328877 (E_RNA) where: Base-Base interactions energy: -939.687 where: short stacking energy: -427.199 Base-Backbone interact. energy: -2.330 local terms energy: -468.312091 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -94.187 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -57.728 tors. eta vs tors. theta energy: -119.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1284.535443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.535443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.535443 (E_RNA) where: Base-Base interactions energy: -869.805 where: short stacking energy: -386.296 Base-Backbone interact. energy: -2.402 local terms energy: -412.327813 where: bonds (distance) C4'-P energy: -80.442 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -81.351 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -96.434 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: 61 Temperature: 1.150000 Total energy: -1212.263124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.263124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.263124 (E_RNA) where: Base-Base interactions energy: -790.197 where: short stacking energy: -376.561 Base-Backbone interact. energy: -0.284 local terms energy: -421.781861 where: bonds (distance) C4'-P energy: -82.814 bonds (distance) P-C4' energy: -85.361 flat angles C4'-P-C4' energy: -99.262 flat angles P-C4'-P energy: -65.669 tors. eta vs tors. theta energy: -88.675 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1022.811820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.811820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.811820 (E_RNA) where: Base-Base interactions energy: -657.820 where: short stacking energy: -302.070 Base-Backbone interact. energy: -0.259 local terms energy: -364.732423 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -80.784 flat angles C4'-P-C4' energy: -90.426 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -55.421 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: 61 Temperature: 1.250000 Total energy: -772.460598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.460598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.460598 (E_RNA) where: Base-Base interactions energy: -423.130 where: short stacking energy: -224.178 Base-Backbone interact. energy: -0.618 local terms energy: -348.713231 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -93.235 flat angles C4'-P-C4' energy: -76.173 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -45.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -608.409259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.409259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.409259 (E_RNA) where: Base-Base interactions energy: -343.707 where: short stacking energy: -201.726 Base-Backbone interact. energy: 4.490 local terms energy: -269.192918 where: bonds (distance) C4'-P energy: -82.402 bonds (distance) P-C4' energy: -66.487 flat angles C4'-P-C4' energy: -69.496 flat angles P-C4'-P energy: -47.772 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -530.012941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.012941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.012941 (E_RNA) where: Base-Base interactions energy: -245.455 where: short stacking energy: -137.287 Base-Backbone interact. energy: -2.054 local terms energy: -282.503806 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -92.228 flat angles C4'-P-C4' energy: -84.711 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: 10.548 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: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1715.025344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.025344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.025344 (E_RNA) where: Base-Base interactions energy: -1196.962 where: short stacking energy: -498.683 Base-Backbone interact. energy: -0.740 local terms energy: -517.324131 where: bonds (distance) C4'-P energy: -91.119 bonds (distance) P-C4' energy: -98.109 flat angles C4'-P-C4' energy: -111.081 flat angles P-C4'-P energy: -78.156 tors. eta vs tors. theta energy: -138.859 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: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1594.537658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.537658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.537658 (E_RNA) where: Base-Base interactions energy: -1099.803 where: short stacking energy: -452.094 Base-Backbone interact. energy: -2.638 local terms energy: -492.096877 where: bonds (distance) C4'-P energy: -91.821 bonds (distance) P-C4' energy: -94.036 flat angles C4'-P-C4' energy: -103.815 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -126.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1604.366181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.366181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.366181 (E_RNA) where: Base-Base interactions energy: -1132.120 where: short stacking energy: -495.655 Base-Backbone interact. energy: -1.477 local terms energy: -470.768609 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -105.739 flat angles P-C4'-P energy: -67.185 tors. eta vs tors. theta energy: -134.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1431.782663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.782663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.782663 (E_RNA) where: Base-Base interactions energy: -963.576 where: short stacking energy: -414.294 Base-Backbone interact. energy: -3.285 local terms energy: -464.922439 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -85.773 flat angles C4'-P-C4' energy: -107.763 flat angles P-C4'-P energy: -68.089 tors. eta vs tors. theta energy: -115.759 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: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1297.033571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.033571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.033571 (E_RNA) where: Base-Base interactions energy: -877.292 where: short stacking energy: -395.176 Base-Backbone interact. energy: -1.596 local terms energy: -418.145891 where: bonds (distance) C4'-P energy: -82.998 bonds (distance) P-C4' energy: -87.059 flat angles C4'-P-C4' energy: -93.909 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -100.463 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: 62 Temperature: 1.150000 Total energy: -1208.762779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.762779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.762779 (E_RNA) where: Base-Base interactions energy: -778.793 where: short stacking energy: -348.626 Base-Backbone interact. energy: -6.202 local terms energy: -423.767941 where: bonds (distance) C4'-P energy: -82.063 bonds (distance) P-C4' energy: -73.601 flat angles C4'-P-C4' energy: -99.946 flat angles P-C4'-P energy: -69.420 tors. eta vs tors. theta energy: -98.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1103.274693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.274693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.274693 (E_RNA) where: Base-Base interactions energy: -693.971 where: short stacking energy: -333.688 Base-Backbone interact. energy: -1.826 local terms energy: -407.477585 where: bonds (distance) C4'-P energy: -89.229 bonds (distance) P-C4' energy: -99.877 flat angles C4'-P-C4' energy: -79.445 flat angles P-C4'-P energy: -62.430 tors. eta vs tors. theta energy: -76.497 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: 62 Temperature: 1.250000 Total energy: -802.437104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.437104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.437104 (E_RNA) where: Base-Base interactions energy: -473.595 where: short stacking energy: -226.054 Base-Backbone interact. energy: -2.070 local terms energy: -326.771915 where: bonds (distance) C4'-P energy: -82.403 bonds (distance) P-C4' energy: -85.297 flat angles C4'-P-C4' energy: -82.143 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: -19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -612.305814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.305814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.305814 (E_RNA) where: Base-Base interactions energy: -324.035 where: short stacking energy: -181.769 Base-Backbone interact. energy: -1.679 local terms energy: -286.591770 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -76.433 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -6.628 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: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -514.078060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.078060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.078060 (E_RNA) where: Base-Base interactions energy: -260.784 where: short stacking energy: -164.932 Base-Backbone interact. energy: -1.911 local terms energy: -251.383049 where: bonds (distance) C4'-P energy: -69.955 bonds (distance) P-C4' energy: -75.056 flat angles C4'-P-C4' energy: -74.981 flat angles P-C4'-P energy: -31.768 tors. eta vs tors. theta energy: 0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1715.838826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.838826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.838826 (E_RNA) where: Base-Base interactions energy: -1208.572 where: short stacking energy: -492.579 Base-Backbone interact. energy: 9.543 local terms energy: -516.809301 where: bonds (distance) C4'-P energy: -102.918 bonds (distance) P-C4' energy: -97.897 flat angles C4'-P-C4' energy: -109.325 flat angles P-C4'-P energy: -66.325 tors. eta vs tors. theta energy: -140.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1600.751030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.751030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.751030 (E_RNA) where: Base-Base interactions energy: -1105.756 where: short stacking energy: -452.125 Base-Backbone interact. energy: -4.530 local terms energy: -490.465457 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -92.873 flat angles C4'-P-C4' energy: -117.724 flat angles P-C4'-P energy: -56.548 tors. eta vs tors. theta energy: -119.864 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: 63 Temperature: 1.000000 Total energy: -1558.338901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.338901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.338901 (E_RNA) where: Base-Base interactions energy: -1081.430 where: short stacking energy: -465.073 Base-Backbone interact. energy: -2.603 local terms energy: -474.305531 where: bonds (distance) C4'-P energy: -93.998 bonds (distance) P-C4' energy: -86.249 flat angles C4'-P-C4' energy: -104.195 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -126.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1474.368129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.368129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.368129 (E_RNA) where: Base-Base interactions energy: -1009.438 where: short stacking energy: -432.400 Base-Backbone interact. energy: -1.025 local terms energy: -463.905175 where: bonds (distance) C4'-P energy: -97.208 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -106.298 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -118.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1313.695739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.695739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.695739 (E_RNA) where: Base-Base interactions energy: -888.637 where: short stacking energy: -413.373 Base-Backbone interact. energy: -2.260 local terms energy: -422.798962 where: bonds (distance) C4'-P energy: -77.181 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -89.734 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -113.308 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: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1188.012074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.012074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.012074 (E_RNA) where: Base-Base interactions energy: -779.261 where: short stacking energy: -328.437 Base-Backbone interact. energy: -2.021 local terms energy: -406.730392 where: bonds (distance) C4'-P energy: -85.881 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -104.606 flat angles P-C4'-P energy: -49.788 tors. eta vs tors. theta energy: -89.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1065.132301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.132301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.132301 (E_RNA) where: Base-Base interactions energy: -677.296 where: short stacking energy: -321.128 Base-Backbone interact. energy: -2.395 local terms energy: -385.440786 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -91.938 flat angles C4'-P-C4' energy: -83.013 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -70.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -800.283404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.283404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.283404 (E_RNA) where: Base-Base interactions energy: -490.762 where: short stacking energy: -231.079 Base-Backbone interact. energy: -0.284 local terms energy: -309.237655 where: bonds (distance) C4'-P energy: -85.705 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -73.949 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: -22.099 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: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -630.618701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.618701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.618701 (E_RNA) where: Base-Base interactions energy: -322.158 where: short stacking energy: -193.600 Base-Backbone interact. energy: -3.480 local terms energy: -304.980551 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -89.960 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: -19.408 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: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -486.746658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.746658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.746658 (E_RNA) where: Base-Base interactions energy: -213.985 where: short stacking energy: -154.213 Base-Backbone interact. energy: 2.580 local terms energy: -275.341965 where: bonds (distance) C4'-P energy: -67.005 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -65.989 flat angles P-C4'-P energy: -39.919 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1707.932126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.932126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.932126 (E_RNA) where: Base-Base interactions energy: -1197.279 where: short stacking energy: -497.755 Base-Backbone interact. energy: -1.649 local terms energy: -509.004005 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -106.591 flat angles C4'-P-C4' energy: -107.976 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -129.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1584.725656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.725656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.725656 (E_RNA) where: Base-Base interactions energy: -1121.029 where: short stacking energy: -460.413 Base-Backbone interact. energy: 1.194 local terms energy: -464.891058 where: bonds (distance) C4'-P energy: -82.225 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -109.806 flat angles P-C4'-P energy: -67.901 tors. eta vs tors. theta energy: -116.471 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: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1514.725673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.725673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.725673 (E_RNA) where: Base-Base interactions energy: -1043.267 where: short stacking energy: -446.949 Base-Backbone interact. energy: -3.238 local terms energy: -468.220685 where: bonds (distance) C4'-P energy: -86.640 bonds (distance) P-C4' energy: -109.528 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -111.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1473.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.280249 (E_RNA) where: Base-Base interactions energy: -1015.158 where: short stacking energy: -436.223 Base-Backbone interact. energy: -6.304 local terms energy: -451.817838 where: bonds (distance) C4'-P energy: -88.822 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -115.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1319.555793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.555793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.555793 (E_RNA) where: Base-Base interactions energy: -904.884 where: short stacking energy: -419.925 Base-Backbone interact. energy: -1.007 local terms energy: -413.665289 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -70.212 flat angles C4'-P-C4' energy: -97.834 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: -107.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1208.306595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.306595 (E_RNA) where: Base-Base interactions energy: -797.481 where: short stacking energy: -347.235 Base-Backbone interact. energy: -2.885 local terms energy: -407.940747 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -89.881 flat angles P-C4'-P energy: -69.953 tors. eta vs tors. theta energy: -89.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1061.658242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.658242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.658242 (E_RNA) where: Base-Base interactions energy: -682.202 where: short stacking energy: -312.072 Base-Backbone interact. energy: -1.285 local terms energy: -378.171826 where: bonds (distance) C4'-P energy: -82.441 bonds (distance) P-C4' energy: -85.853 flat angles C4'-P-C4' energy: -82.457 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -73.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -818.373063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.373063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.373063 (E_RNA) where: Base-Base interactions energy: -499.114 where: short stacking energy: -236.020 Base-Backbone interact. energy: 1.501 local terms energy: -320.759982 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -79.700 flat angles P-C4'-P energy: -39.104 tors. eta vs tors. theta energy: -35.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -697.974043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.974043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.974043 (E_RNA) where: Base-Base interactions energy: -395.535 where: short stacking energy: -205.590 Base-Backbone interact. energy: -0.915 local terms energy: -301.524167 where: bonds (distance) C4'-P energy: -73.295 bonds (distance) P-C4' energy: -87.861 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -17.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -475.534716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.534716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.534716 (E_RNA) where: Base-Base interactions energy: -204.836 where: short stacking energy: -139.831 Base-Backbone interact. energy: -1.066 local terms energy: -269.633395 where: bonds (distance) C4'-P energy: -83.273 bonds (distance) P-C4' energy: -70.365 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -33.841 tors. eta vs tors. theta energy: -4.726 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: 65 Temperature: 0.900000 Total energy: -1715.821640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.821640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.821640 (E_RNA) where: Base-Base interactions energy: -1223.639 where: short stacking energy: -502.116 Base-Backbone interact. energy: -3.299 local terms energy: -488.883248 where: bonds (distance) C4'-P energy: -93.345 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -105.259 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -134.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1595.831169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.831169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.831169 (E_RNA) where: Base-Base interactions energy: -1134.234 where: short stacking energy: -471.375 Base-Backbone interact. energy: -2.633 local terms energy: -458.964635 where: bonds (distance) C4'-P energy: -96.461 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -97.487 flat angles P-C4'-P energy: -59.890 tors. eta vs tors. theta energy: -121.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1538.659358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.659358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.659358 (E_RNA) where: Base-Base interactions energy: -1067.817 where: short stacking energy: -462.933 Base-Backbone interact. energy: -1.581 local terms energy: -469.261647 where: bonds (distance) C4'-P energy: -90.256 bonds (distance) P-C4' energy: -85.887 flat angles C4'-P-C4' energy: -99.179 flat angles P-C4'-P energy: -72.010 tors. eta vs tors. theta energy: -121.930 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: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1517.793751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.793751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.793751 (E_RNA) where: Base-Base interactions energy: -1051.337 where: short stacking energy: -434.072 Base-Backbone interact. energy: -4.630 local terms energy: -461.826834 where: bonds (distance) C4'-P energy: -93.393 bonds (distance) P-C4' energy: -82.851 flat angles C4'-P-C4' energy: -102.738 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -114.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1321.555904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.555904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.555904 (E_RNA) where: Base-Base interactions energy: -882.168 where: short stacking energy: -407.180 Base-Backbone interact. energy: 0.786 local terms energy: -440.174337 where: bonds (distance) C4'-P energy: -98.701 bonds (distance) P-C4' energy: -89.073 flat angles C4'-P-C4' energy: -85.930 flat angles P-C4'-P energy: -67.171 tors. eta vs tors. theta energy: -99.299 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: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1223.597402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.597402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.597402 (E_RNA) where: Base-Base interactions energy: -787.260 where: short stacking energy: -372.749 Base-Backbone interact. energy: -3.166 local terms energy: -433.171227 where: bonds (distance) C4'-P energy: -95.372 bonds (distance) P-C4' energy: -98.659 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -90.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1037.504536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.504536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.504536 (E_RNA) where: Base-Base interactions energy: -655.265 where: short stacking energy: -304.481 Base-Backbone interact. energy: -3.002 local terms energy: -379.237505 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -77.290 flat angles C4'-P-C4' energy: -91.384 flat angles P-C4'-P energy: -49.082 tors. eta vs tors. theta energy: -70.763 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: 65 Temperature: 1.250000 Total energy: -803.364295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.364295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.364295 (E_RNA) where: Base-Base interactions energy: -488.532 where: short stacking energy: -236.702 Base-Backbone interact. energy: 3.284 local terms energy: -318.116918 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -90.534 flat angles C4'-P-C4' energy: -84.200 flat angles P-C4'-P energy: -34.991 tors. eta vs tors. theta energy: -28.238 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: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -679.696854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.696854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.696854 (E_RNA) where: Base-Base interactions energy: -359.516 where: short stacking energy: -196.956 Base-Backbone interact. energy: 2.367 local terms energy: -322.548451 where: bonds (distance) C4'-P energy: -78.991 bonds (distance) P-C4' energy: -84.637 flat angles C4'-P-C4' energy: -90.062 flat angles P-C4'-P energy: -42.169 tors. eta vs tors. theta energy: -26.689 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -458.137173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.137173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.137173 (E_RNA) where: Base-Base interactions energy: -186.639 where: short stacking energy: -118.867 Base-Backbone interact. energy: -0.743 local terms energy: -270.755255 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -79.805 flat angles C4'-P-C4' energy: -72.842 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: 14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1721.509482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.509482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.509482 (E_RNA) where: Base-Base interactions energy: -1226.105 where: short stacking energy: -513.295 Base-Backbone interact. energy: 0.570 local terms energy: -495.975149 where: bonds (distance) C4'-P energy: -92.030 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -115.462 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -135.688 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: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1604.055764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.055764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.055764 (E_RNA) where: Base-Base interactions energy: -1110.250 where: short stacking energy: -452.251 Base-Backbone interact. energy: -2.762 local terms energy: -491.043436 where: bonds (distance) C4'-P energy: -92.140 bonds (distance) P-C4' energy: -102.729 flat angles C4'-P-C4' energy: -105.651 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -120.822 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: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1549.873662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.873662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.873662 (E_RNA) where: Base-Base interactions energy: -1077.537 where: short stacking energy: -463.503 Base-Backbone interact. energy: -1.376 local terms energy: -470.960951 where: bonds (distance) C4'-P energy: -89.526 bonds (distance) P-C4' energy: -96.746 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -60.485 tors. eta vs tors. theta energy: -119.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1470.758814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.758814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.758814 (E_RNA) where: Base-Base interactions energy: -1007.904 where: short stacking energy: -426.225 Base-Backbone interact. energy: -0.534 local terms energy: -462.320975 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -93.273 flat angles C4'-P-C4' energy: -92.019 flat angles P-C4'-P energy: -68.222 tors. eta vs tors. theta energy: -124.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1325.782822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.782822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.782822 (E_RNA) where: Base-Base interactions energy: -886.747 where: short stacking energy: -393.491 Base-Backbone interact. energy: -3.508 local terms energy: -435.528286 where: bonds (distance) C4'-P energy: -84.138 bonds (distance) P-C4' energy: -88.703 flat angles C4'-P-C4' energy: -102.587 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -101.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1200.209356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.209356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.209356 (E_RNA) where: Base-Base interactions energy: -789.993 where: short stacking energy: -398.522 Base-Backbone interact. energy: -2.462 local terms energy: -407.754666 where: bonds (distance) C4'-P energy: -77.422 bonds (distance) P-C4' energy: -84.006 flat angles C4'-P-C4' energy: -88.981 flat angles P-C4'-P energy: -57.161 tors. eta vs tors. theta energy: -100.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1054.142560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.142560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.142560 (E_RNA) where: Base-Base interactions energy: -702.481 where: short stacking energy: -321.549 Base-Backbone interact. energy: -2.465 local terms energy: -349.196373 where: bonds (distance) C4'-P energy: -76.272 bonds (distance) P-C4' energy: -80.238 flat angles C4'-P-C4' energy: -73.310 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -67.821 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: 66 Temperature: 1.250000 Total energy: -829.356758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.356758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.356758 (E_RNA) where: Base-Base interactions energy: -492.387 where: short stacking energy: -242.669 Base-Backbone interact. energy: 0.113 local terms energy: -337.082770 where: bonds (distance) C4'-P energy: -89.795 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -91.085 flat angles P-C4'-P energy: -35.363 tors. eta vs tors. theta energy: -34.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -516.548461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.548461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.548461 (E_RNA) where: Base-Base interactions energy: -247.922 where: short stacking energy: -154.739 Base-Backbone interact. energy: 2.522 local terms energy: -271.148537 where: bonds (distance) C4'-P energy: -79.293 bonds (distance) P-C4' energy: -86.140 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: 7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -518.155919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.155919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.155919 (E_RNA) where: Base-Base interactions energy: -270.362 where: short stacking energy: -161.855 Base-Backbone interact. energy: 0.580 local terms energy: -248.374335 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -52.271 flat angles P-C4'-P energy: -32.565 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1746.975949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.975949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.975949 (E_RNA) where: Base-Base interactions energy: -1220.519 where: short stacking energy: -504.357 Base-Backbone interact. energy: -0.978 local terms energy: -525.478561 where: bonds (distance) C4'-P energy: -106.153 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -107.440 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -141.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1624.812568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.812568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.812568 (E_RNA) where: Base-Base interactions energy: -1140.008 where: short stacking energy: -451.874 Base-Backbone interact. energy: -3.946 local terms energy: -480.858021 where: bonds (distance) C4'-P energy: -93.856 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -105.688 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -116.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1537.433682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.433682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.433682 (E_RNA) where: Base-Base interactions energy: -1059.150 where: short stacking energy: -456.703 Base-Backbone interact. energy: -1.894 local terms energy: -476.389990 where: bonds (distance) C4'-P energy: -95.753 bonds (distance) P-C4' energy: -89.827 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -117.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1433.395969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.395969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.395969 (E_RNA) where: Base-Base interactions energy: -987.808 where: short stacking energy: -429.668 Base-Backbone interact. energy: 1.157 local terms energy: -446.744724 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -83.951 flat angles C4'-P-C4' energy: -106.510 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -108.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1313.896491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.896491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.896491 (E_RNA) where: Base-Base interactions energy: -876.748 where: short stacking energy: -397.723 Base-Backbone interact. energy: 0.588 local terms energy: -437.736695 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -83.683 flat angles C4'-P-C4' energy: -105.469 flat angles P-C4'-P energy: -56.810 tors. eta vs tors. theta energy: -108.279 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: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1197.628756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.628756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.628756 (E_RNA) where: Base-Base interactions energy: -756.396 where: short stacking energy: -348.598 Base-Backbone interact. energy: 0.248 local terms energy: -441.481390 where: bonds (distance) C4'-P energy: -83.015 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -103.130 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -95.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -974.232162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.232162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.232162 (E_RNA) where: Base-Base interactions energy: -618.916 where: short stacking energy: -304.212 Base-Backbone interact. energy: 5.557 local terms energy: -360.873678 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -79.660 flat angles C4'-P-C4' energy: -88.467 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -69.511 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: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -818.753827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.753827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.753827 (E_RNA) where: Base-Base interactions energy: -473.645 where: short stacking energy: -221.410 Base-Backbone interact. energy: -3.018 local terms energy: -342.091049 where: bonds (distance) C4'-P energy: -80.338 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -88.473 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -20.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -564.229577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.229577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.229577 (E_RNA) where: Base-Base interactions energy: -298.472 where: short stacking energy: -174.567 Base-Backbone interact. energy: -2.243 local terms energy: -263.514885 where: bonds (distance) C4'-P energy: -73.655 bonds (distance) P-C4' energy: -86.846 flat angles C4'-P-C4' energy: -66.482 flat angles P-C4'-P energy: -26.398 tors. eta vs tors. theta energy: -10.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -501.334127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.334127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.334127 (E_RNA) where: Base-Base interactions energy: -229.577 where: short stacking energy: -134.482 Base-Backbone interact. energy: -1.183 local terms energy: -270.574186 where: bonds (distance) C4'-P energy: -86.799 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: 13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1716.772670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.772670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.772670 (E_RNA) where: Base-Base interactions energy: -1185.054 where: short stacking energy: -501.236 Base-Backbone interact. energy: -1.595 local terms energy: -530.124056 where: bonds (distance) C4'-P energy: -97.726 bonds (distance) P-C4' energy: -100.529 flat angles C4'-P-C4' energy: -111.686 flat angles P-C4'-P energy: -78.224 tors. eta vs tors. theta energy: -141.960 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: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1626.930138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.930138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.930138 (E_RNA) where: Base-Base interactions energy: -1143.941 where: short stacking energy: -479.606 Base-Backbone interact. energy: -1.858 local terms energy: -481.130788 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -94.933 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -129.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1536.066393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.066393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.066393 (E_RNA) where: Base-Base interactions energy: -1065.286 where: short stacking energy: -443.164 Base-Backbone interact. energy: -2.686 local terms energy: -468.094455 where: bonds (distance) C4'-P energy: -84.427 bonds (distance) P-C4' energy: -93.458 flat angles C4'-P-C4' energy: -110.787 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -123.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1489.566308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.566308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.566308 (E_RNA) where: Base-Base interactions energy: -1037.171 where: short stacking energy: -439.319 Base-Backbone interact. energy: -1.801 local terms energy: -450.594503 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -101.692 flat angles P-C4'-P energy: -55.851 tors. eta vs tors. theta energy: -117.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1285.371563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.371563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.371563 (E_RNA) where: Base-Base interactions energy: -869.639 where: short stacking energy: -400.885 Base-Backbone interact. energy: 0.665 local terms energy: -416.397526 where: bonds (distance) C4'-P energy: -82.837 bonds (distance) P-C4' energy: -86.533 flat angles C4'-P-C4' energy: -91.740 flat angles P-C4'-P energy: -64.733 tors. eta vs tors. theta energy: -90.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1206.109173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.109173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.109173 (E_RNA) where: Base-Base interactions energy: -789.113 where: short stacking energy: -367.039 Base-Backbone interact. energy: -1.773 local terms energy: -415.222580 where: bonds (distance) C4'-P energy: -82.965 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -99.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -972.354482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.354482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.354482 (E_RNA) where: Base-Base interactions energy: -610.683 where: short stacking energy: -283.766 Base-Backbone interact. energy: -1.541 local terms energy: -360.130548 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -83.060 flat angles C4'-P-C4' energy: -80.715 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -48.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -832.302373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.302373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.302373 (E_RNA) where: Base-Base interactions energy: -513.335 where: short stacking energy: -239.942 Base-Backbone interact. energy: -3.415 local terms energy: -315.551608 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -86.489 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -38.062 tors. eta vs tors. theta energy: -38.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -589.568122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.568122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.568122 (E_RNA) where: Base-Base interactions energy: -278.861 where: short stacking energy: -178.588 Base-Backbone interact. energy: -1.731 local terms energy: -308.975880 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -23.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -512.106166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.106166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.106166 (E_RNA) where: Base-Base interactions energy: -233.861 where: short stacking energy: -160.516 Base-Backbone interact. energy: -0.051 local terms energy: -278.193918 where: bonds (distance) C4'-P energy: -72.514 bonds (distance) P-C4' energy: -89.935 flat angles C4'-P-C4' energy: -58.145 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -8.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1698.769504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.769504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.769504 (E_RNA) where: Base-Base interactions energy: -1175.150 where: short stacking energy: -502.862 Base-Backbone interact. energy: -1.899 local terms energy: -521.720206 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -97.554 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: -143.179 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: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1611.252403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.252403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.252403 (E_RNA) where: Base-Base interactions energy: -1102.960 where: short stacking energy: -460.535 Base-Backbone interact. energy: -2.398 local terms energy: -505.894051 where: bonds (distance) C4'-P energy: -100.315 bonds (distance) P-C4' energy: -95.569 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -66.428 tors. eta vs tors. theta energy: -129.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1548.325246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.325246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.325246 (E_RNA) where: Base-Base interactions energy: -1081.253 where: short stacking energy: -448.657 Base-Backbone interact. energy: 6.652 local terms energy: -473.724632 where: bonds (distance) C4'-P energy: -99.388 bonds (distance) P-C4' energy: -86.964 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -73.802 tors. eta vs tors. theta energy: -122.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1481.494214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.494214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.494214 (E_RNA) where: Base-Base interactions energy: -1021.471 where: short stacking energy: -429.009 Base-Backbone interact. energy: -3.244 local terms energy: -456.779256 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -105.498 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -113.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1339.290948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.290948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.290948 (E_RNA) where: Base-Base interactions energy: -915.462 where: short stacking energy: -406.979 Base-Backbone interact. energy: -1.151 local terms energy: -422.678613 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -90.137 flat angles C4'-P-C4' energy: -86.984 flat angles P-C4'-P energy: -52.402 tors. eta vs tors. theta energy: -109.881 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: 69 Temperature: 1.150000 Total energy: -1184.141334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.141334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.141334 (E_RNA) where: Base-Base interactions energy: -779.121 where: short stacking energy: -369.402 Base-Backbone interact. energy: 2.619 local terms energy: -407.640126 where: bonds (distance) C4'-P energy: -85.633 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -88.125 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: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1038.407654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.407654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.407654 (E_RNA) where: Base-Base interactions energy: -666.362 where: short stacking energy: -319.005 Base-Backbone interact. energy: 0.630 local terms energy: -372.675676 where: bonds (distance) C4'-P energy: -74.691 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -60.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -868.387093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.387093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.387093 (E_RNA) where: Base-Base interactions energy: -529.468 where: short stacking energy: -262.869 Base-Backbone interact. energy: -2.735 local terms energy: -336.184578 where: bonds (distance) C4'-P energy: -73.660 bonds (distance) P-C4' energy: -80.884 flat angles C4'-P-C4' energy: -86.261 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -46.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -552.507118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.507118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.507118 (E_RNA) where: Base-Base interactions energy: -287.513 where: short stacking energy: -151.200 Base-Backbone interact. energy: -0.439 local terms energy: -264.555525 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -81.866 flat angles C4'-P-C4' energy: -74.679 flat angles P-C4'-P energy: -33.082 tors. eta vs tors. theta energy: 3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -508.242926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.242926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.242926 (E_RNA) where: Base-Base interactions energy: -240.546 where: short stacking energy: -151.748 Base-Backbone interact. energy: 2.413 local terms energy: -270.109950 where: bonds (distance) C4'-P energy: -78.997 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -80.975 flat angles P-C4'-P energy: -26.736 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1685.747441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.747441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.747441 (E_RNA) where: Base-Base interactions energy: -1170.538 where: short stacking energy: -485.622 Base-Backbone interact. energy: -1.943 local terms energy: -513.266267 where: bonds (distance) C4'-P energy: -99.222 bonds (distance) P-C4' energy: -102.066 flat angles C4'-P-C4' energy: -107.934 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -126.934 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: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1594.964000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.964000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.964000 (E_RNA) where: Base-Base interactions energy: -1126.617 where: short stacking energy: -462.098 Base-Backbone interact. energy: -2.446 local terms energy: -465.901282 where: bonds (distance) C4'-P energy: -84.058 bonds (distance) P-C4' energy: -105.944 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -57.277 tors. eta vs tors. theta energy: -113.298 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: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1551.630097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.630097 (E_RNA) where: Base-Base interactions energy: -1079.211 where: short stacking energy: -465.538 Base-Backbone interact. energy: 0.182 local terms energy: -472.601530 where: bonds (distance) C4'-P energy: -90.346 bonds (distance) P-C4' energy: -96.559 flat angles C4'-P-C4' energy: -109.152 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -123.257 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: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1503.810829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.810829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.810829 (E_RNA) where: Base-Base interactions energy: -1046.801 where: short stacking energy: -434.241 Base-Backbone interact. energy: -3.720 local terms energy: -453.289527 where: bonds (distance) C4'-P energy: -71.222 bonds (distance) P-C4' energy: -80.369 flat angles C4'-P-C4' energy: -106.369 flat angles P-C4'-P energy: -70.238 tors. eta vs tors. theta energy: -125.091 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: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1302.106299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.106299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.106299 (E_RNA) where: Base-Base interactions energy: -857.230 where: short stacking energy: -389.331 Base-Backbone interact. energy: -0.676 local terms energy: -444.200123 where: bonds (distance) C4'-P energy: -96.756 bonds (distance) P-C4' energy: -82.004 flat angles C4'-P-C4' energy: -94.885 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -95.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1291.660575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.660575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.660575 (E_RNA) where: Base-Base interactions energy: -878.605 where: short stacking energy: -375.229 Base-Backbone interact. energy: -1.943 local terms energy: -411.112496 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -71.502 flat angles C4'-P-C4' energy: -102.327 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -94.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1000.983148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.983148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.983148 (E_RNA) where: Base-Base interactions energy: -628.782 where: short stacking energy: -286.586 Base-Backbone interact. energy: -1.047 local terms energy: -371.153758 where: bonds (distance) C4'-P energy: -74.302 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -52.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -810.673946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.673946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.673946 (E_RNA) where: Base-Base interactions energy: -490.297 where: short stacking energy: -253.311 Base-Backbone interact. energy: -1.154 local terms energy: -319.223084 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -78.740 flat angles C4'-P-C4' energy: -85.175 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -41.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -623.458150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.458150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.458150 (E_RNA) where: Base-Base interactions energy: -334.730 where: short stacking energy: -186.357 Base-Backbone interact. energy: 2.016 local terms energy: -290.743597 where: bonds (distance) C4'-P energy: -85.185 bonds (distance) P-C4' energy: -91.327 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -40.436 tors. eta vs tors. theta energy: -9.661 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: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -508.130561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.130561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.130561 (E_RNA) where: Base-Base interactions energy: -254.488 where: short stacking energy: -164.067 Base-Backbone interact. energy: -1.188 local terms energy: -252.454556 where: bonds (distance) C4'-P energy: -77.621 bonds (distance) P-C4' energy: -88.637 flat angles C4'-P-C4' energy: -65.144 flat angles P-C4'-P energy: -18.331 tors. eta vs tors. theta energy: -2.720 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: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1695.441550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.441550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.441550 (E_RNA) where: Base-Base interactions energy: -1188.887 where: short stacking energy: -486.349 Base-Backbone interact. energy: -2.548 local terms energy: -504.006406 where: bonds (distance) C4'-P energy: -100.308 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -71.709 tors. eta vs tors. theta energy: -126.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1612.663885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.663885 (E_RNA) where: Base-Base interactions energy: -1119.064 where: short stacking energy: -479.169 Base-Backbone interact. energy: -2.514 local terms energy: -491.085808 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -100.000 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -122.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1554.101699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.101699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.101699 (E_RNA) where: Base-Base interactions energy: -1062.918 where: short stacking energy: -460.180 Base-Backbone interact. energy: -1.510 local terms energy: -489.673299 where: bonds (distance) C4'-P energy: -96.763 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -110.067 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: -123.941 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: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1534.506289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.506289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.506289 (E_RNA) where: Base-Base interactions energy: -1063.999 where: short stacking energy: -417.760 Base-Backbone interact. energy: -4.704 local terms energy: -465.802886 where: bonds (distance) C4'-P energy: -91.881 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -120.573 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: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1282.672864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.672864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.672864 (E_RNA) where: Base-Base interactions energy: -861.911 where: short stacking energy: -397.154 Base-Backbone interact. energy: -1.754 local terms energy: -419.007568 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -89.502 flat angles C4'-P-C4' energy: -91.851 flat angles P-C4'-P energy: -49.479 tors. eta vs tors. theta energy: -101.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1328.569153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.569153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.569153 (E_RNA) where: Base-Base interactions energy: -900.927 where: short stacking energy: -379.878 Base-Backbone interact. energy: -1.788 local terms energy: -425.854157 where: bonds (distance) C4'-P energy: -89.241 bonds (distance) P-C4' energy: -90.852 flat angles C4'-P-C4' energy: -97.612 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -97.222 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: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1005.913781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.913781 (E_RNA) where: Base-Base interactions energy: -631.967 where: short stacking energy: -292.995 Base-Backbone interact. energy: 1.483 local terms energy: -375.429660 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -88.459 flat angles C4'-P-C4' energy: -83.057 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -59.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -856.565795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.565795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.565795 (E_RNA) where: Base-Base interactions energy: -508.780 where: short stacking energy: -242.440 Base-Backbone interact. energy: -0.624 local terms energy: -347.161555 where: bonds (distance) C4'-P energy: -66.325 bonds (distance) P-C4' energy: -100.309 flat angles C4'-P-C4' energy: -75.624 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -47.475 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -584.637823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.637823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.637823 (E_RNA) where: Base-Base interactions energy: -284.962 where: short stacking energy: -154.564 Base-Backbone interact. energy: -0.817 local terms energy: -298.859014 where: bonds (distance) C4'-P energy: -77.140 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -70.836 flat angles P-C4'-P energy: -36.149 tors. eta vs tors. theta energy: -18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -489.298940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.298940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.298940 (E_RNA) where: Base-Base interactions energy: -220.535 where: short stacking energy: -144.491 Base-Backbone interact. energy: 0.645 local terms energy: -269.409184 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -87.674 flat angles C4'-P-C4' energy: -58.590 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: 3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1703.443599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.443599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.443599 (E_RNA) where: Base-Base interactions energy: -1186.787 where: short stacking energy: -478.330 Base-Backbone interact. energy: -0.908 local terms energy: -515.749127 where: bonds (distance) C4'-P energy: -92.375 bonds (distance) P-C4' energy: -110.518 flat angles C4'-P-C4' energy: -105.191 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -135.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1600.911321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.911321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.911321 (E_RNA) where: Base-Base interactions energy: -1124.476 where: short stacking energy: -472.352 Base-Backbone interact. energy: -3.000 local terms energy: -473.435598 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -102.688 flat angles C4'-P-C4' energy: -102.707 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -118.575 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: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1566.409531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.409531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.409531 (E_RNA) where: Base-Base interactions energy: -1092.478 where: short stacking energy: -468.541 Base-Backbone interact. energy: -1.157 local terms energy: -472.774846 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -84.266 flat angles C4'-P-C4' energy: -102.464 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -121.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1516.858156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.858156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.858156 (E_RNA) where: Base-Base interactions energy: -1043.838 where: short stacking energy: -439.351 Base-Backbone interact. energy: -3.081 local terms energy: -469.939138 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -82.242 flat angles C4'-P-C4' energy: -97.593 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -119.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1365.108587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.108587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.108587 (E_RNA) where: Base-Base interactions energy: -925.517 where: short stacking energy: -393.893 Base-Backbone interact. energy: -4.079 local terms energy: -435.512781 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -93.126 flat angles C4'-P-C4' energy: -103.785 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -92.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1256.928429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.928429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.928429 (E_RNA) where: Base-Base interactions energy: -807.496 where: short stacking energy: -368.736 Base-Backbone interact. energy: -3.349 local terms energy: -446.083466 where: bonds (distance) C4'-P energy: -84.760 bonds (distance) P-C4' energy: -83.028 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -63.451 tors. eta vs tors. theta energy: -105.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -983.016958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.016958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.016958 (E_RNA) where: Base-Base interactions energy: -613.457 where: short stacking energy: -272.734 Base-Backbone interact. energy: 2.074 local terms energy: -371.633872 where: bonds (distance) C4'-P energy: -89.843 bonds (distance) P-C4' energy: -97.005 flat angles C4'-P-C4' energy: -94.960 flat angles P-C4'-P energy: -47.288 tors. eta vs tors. theta energy: -42.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -813.664895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.664895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.664895 (E_RNA) where: Base-Base interactions energy: -499.325 where: short stacking energy: -234.815 Base-Backbone interact. energy: -0.810 local terms energy: -313.530031 where: bonds (distance) C4'-P energy: -67.648 bonds (distance) P-C4' energy: -89.637 flat angles C4'-P-C4' energy: -74.061 flat angles P-C4'-P energy: -51.921 tors. eta vs tors. theta energy: -30.263 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: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -609.471363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.471363 (E_RNA) where: Base-Base interactions energy: -316.400 where: short stacking energy: -189.784 Base-Backbone interact. energy: -3.756 local terms energy: -289.315883 where: bonds (distance) C4'-P energy: -71.937 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -70.621 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -20.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -475.036917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.036917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.036917 (E_RNA) where: Base-Base interactions energy: -207.918 where: short stacking energy: -112.974 Base-Backbone interact. energy: -1.808 local terms energy: -265.310463 where: bonds (distance) C4'-P energy: -71.852 bonds (distance) P-C4' energy: -87.226 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -32.203 tors. eta vs tors. theta energy: 13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1708.864805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.864805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.864805 (E_RNA) where: Base-Base interactions energy: -1194.548 where: short stacking energy: -483.916 Base-Backbone interact. energy: -3.644 local terms energy: -510.672740 where: bonds (distance) C4'-P energy: -102.090 bonds (distance) P-C4' energy: -99.657 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -65.837 tors. eta vs tors. theta energy: -130.101 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: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1629.989309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.989309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.989309 (E_RNA) where: Base-Base interactions energy: -1117.791 where: short stacking energy: -478.916 Base-Backbone interact. energy: -5.496 local terms energy: -506.702382 where: bonds (distance) C4'-P energy: -88.812 bonds (distance) P-C4' energy: -111.432 flat angles C4'-P-C4' energy: -107.333 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -127.051 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: 73 Temperature: 1.000000 Total energy: -1559.435927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.435927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.435927 (E_RNA) where: Base-Base interactions energy: -1075.513 where: short stacking energy: -449.345 Base-Backbone interact. energy: -0.319 local terms energy: -483.604117 where: bonds (distance) C4'-P energy: -91.784 bonds (distance) P-C4' energy: -94.433 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -68.325 tors. eta vs tors. theta energy: -122.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1507.835053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.835053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.835053 (E_RNA) where: Base-Base interactions energy: -1069.658 where: short stacking energy: -472.638 Base-Backbone interact. energy: 1.312 local terms energy: -439.488809 where: bonds (distance) C4'-P energy: -73.249 bonds (distance) P-C4' energy: -91.537 flat angles C4'-P-C4' energy: -96.294 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: -123.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1385.495712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.495712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.495712 (E_RNA) where: Base-Base interactions energy: -959.185 where: short stacking energy: -390.575 Base-Backbone interact. energy: -3.182 local terms energy: -423.128882 where: bonds (distance) C4'-P energy: -75.446 bonds (distance) P-C4' energy: -88.853 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -99.052 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: 73 Temperature: 1.150000 Total energy: -1220.811658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.811658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.811658 (E_RNA) where: Base-Base interactions energy: -798.902 where: short stacking energy: -362.690 Base-Backbone interact. energy: -2.086 local terms energy: -419.823732 where: bonds (distance) C4'-P energy: -85.791 bonds (distance) P-C4' energy: -94.063 flat angles C4'-P-C4' energy: -81.080 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -102.133 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: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -939.127076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.127076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.127076 (E_RNA) where: Base-Base interactions energy: -610.911 where: short stacking energy: -289.598 Base-Backbone interact. energy: -2.778 local terms energy: -325.437966 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -90.356 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -41.219 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: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -848.043839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.043839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.043839 (E_RNA) where: Base-Base interactions energy: -515.158 where: short stacking energy: -233.972 Base-Backbone interact. energy: 0.241 local terms energy: -333.126264 where: bonds (distance) C4'-P energy: -83.422 bonds (distance) P-C4' energy: -79.490 flat angles C4'-P-C4' energy: -75.922 flat angles P-C4'-P energy: -53.719 tors. eta vs tors. theta energy: -40.573 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: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -575.077927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.077927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.077927 (E_RNA) where: Base-Base interactions energy: -287.470 where: short stacking energy: -188.966 Base-Backbone interact. energy: 3.425 local terms energy: -291.032778 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -76.605 flat angles P-C4'-P energy: -44.989 tors. eta vs tors. theta energy: -3.066 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: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -536.574189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.574189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.574189 (E_RNA) where: Base-Base interactions energy: -266.143 where: short stacking energy: -166.256 Base-Backbone interact. energy: -1.153 local terms energy: -269.278598 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -73.826 flat angles C4'-P-C4' energy: -86.896 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1715.649021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.649021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.649021 (E_RNA) where: Base-Base interactions energy: -1189.796 where: short stacking energy: -484.354 Base-Backbone interact. energy: -4.068 local terms energy: -521.785418 where: bonds (distance) C4'-P energy: -95.227 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -111.711 flat angles P-C4'-P energy: -79.298 tors. eta vs tors. theta energy: -134.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1628.630546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.630546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.630546 (E_RNA) where: Base-Base interactions energy: -1158.442 where: short stacking energy: -488.797 Base-Backbone interact. energy: -0.629 local terms energy: -469.559958 where: bonds (distance) C4'-P energy: -83.980 bonds (distance) P-C4' energy: -92.327 flat angles C4'-P-C4' energy: -106.742 flat angles P-C4'-P energy: -56.576 tors. eta vs tors. theta energy: -129.936 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: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1563.334514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.334514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.334514 (E_RNA) where: Base-Base interactions energy: -1073.130 where: short stacking energy: -462.788 Base-Backbone interact. energy: -4.491 local terms energy: -485.713843 where: bonds (distance) C4'-P energy: -96.722 bonds (distance) P-C4' energy: -105.318 flat angles C4'-P-C4' energy: -103.861 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: -123.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1496.216889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.216889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.216889 (E_RNA) where: Base-Base interactions energy: -1019.053 where: short stacking energy: -441.955 Base-Backbone interact. energy: 2.980 local terms energy: -480.143824 where: bonds (distance) C4'-P energy: -103.314 bonds (distance) P-C4' energy: -81.275 flat angles C4'-P-C4' energy: -116.576 flat angles P-C4'-P energy: -66.960 tors. eta vs tors. theta energy: -112.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1389.971505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.971505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.971505 (E_RNA) where: Base-Base interactions energy: -957.721 where: short stacking energy: -387.370 Base-Backbone interact. energy: -3.800 local terms energy: -428.450483 where: bonds (distance) C4'-P energy: -88.271 bonds (distance) P-C4' energy: -82.027 flat angles C4'-P-C4' energy: -109.155 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -89.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1232.065804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.065804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.065804 (E_RNA) where: Base-Base interactions energy: -815.894 where: short stacking energy: -364.817 Base-Backbone interact. energy: -0.512 local terms energy: -415.659037 where: bonds (distance) C4'-P energy: -85.630 bonds (distance) P-C4' energy: -85.667 flat angles C4'-P-C4' energy: -95.112 flat angles P-C4'-P energy: -53.763 tors. eta vs tors. theta energy: -95.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -943.507345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.507345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.507345 (E_RNA) where: Base-Base interactions energy: -592.453 where: short stacking energy: -276.656 Base-Backbone interact. energy: 0.012 local terms energy: -351.066708 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -92.223 flat angles C4'-P-C4' energy: -83.014 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -46.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -862.253961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.253961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.253961 (E_RNA) where: Base-Base interactions energy: -510.891 where: short stacking energy: -228.784 Base-Backbone interact. energy: 0.553 local terms energy: -351.915503 where: bonds (distance) C4'-P energy: -80.533 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -51.150 tors. eta vs tors. theta energy: -35.786 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: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -524.474522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.474522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.474522 (E_RNA) where: Base-Base interactions energy: -239.419 where: short stacking energy: -149.842 Base-Backbone interact. energy: 0.874 local terms energy: -285.928842 where: bonds (distance) C4'-P energy: -85.948 bonds (distance) P-C4' energy: -83.976 flat angles C4'-P-C4' energy: -81.754 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: 2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -499.259252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.259252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.259252 (E_RNA) where: Base-Base interactions energy: -245.354 where: short stacking energy: -144.511 Base-Backbone interact. energy: 0.574 local terms energy: -254.479380 where: bonds (distance) C4'-P energy: -89.315 bonds (distance) P-C4' energy: -74.334 flat angles C4'-P-C4' energy: -59.229 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: 13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1677.532986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.532986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.532986 (E_RNA) where: Base-Base interactions energy: -1174.203 where: short stacking energy: -496.322 Base-Backbone interact. energy: -0.612 local terms energy: -502.717658 where: bonds (distance) C4'-P energy: -95.807 bonds (distance) P-C4' energy: -101.692 flat angles C4'-P-C4' energy: -109.599 flat angles P-C4'-P energy: -71.896 tors. eta vs tors. theta energy: -123.724 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: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1613.527618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.527618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.527618 (E_RNA) where: Base-Base interactions energy: -1127.028 where: short stacking energy: -481.966 Base-Backbone interact. energy: -1.930 local terms energy: -484.569819 where: bonds (distance) C4'-P energy: -86.963 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -97.986 flat angles P-C4'-P energy: -69.461 tors. eta vs tors. theta energy: -119.869 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: 75 Temperature: 1.000000 Total energy: -1584.379482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.379482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.379482 (E_RNA) where: Base-Base interactions energy: -1097.955 where: short stacking energy: -442.956 Base-Backbone interact. energy: -1.240 local terms energy: -485.184707 where: bonds (distance) C4'-P energy: -83.708 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -109.022 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -116.871 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: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1451.623983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.623983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.623983 (E_RNA) where: Base-Base interactions energy: -990.694 where: short stacking energy: -428.282 Base-Backbone interact. energy: -2.896 local terms energy: -458.033620 where: bonds (distance) C4'-P energy: -98.374 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -117.664 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: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1378.143858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.143858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.143858 (E_RNA) where: Base-Base interactions energy: -941.961 where: short stacking energy: -398.515 Base-Backbone interact. energy: -3.131 local terms energy: -433.052216 where: bonds (distance) C4'-P energy: -75.662 bonds (distance) P-C4' energy: -96.793 flat angles C4'-P-C4' energy: -96.044 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -104.860 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: 75 Temperature: 1.150000 Total energy: -1288.258569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.258569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.258569 (E_RNA) where: Base-Base interactions energy: -839.521 where: short stacking energy: -379.530 Base-Backbone interact. energy: -0.082 local terms energy: -448.656233 where: bonds (distance) C4'-P energy: -83.493 bonds (distance) P-C4' energy: -96.656 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: -102.220 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: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1020.255191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.255191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.255191 (E_RNA) where: Base-Base interactions energy: -658.389 where: short stacking energy: -321.706 Base-Backbone interact. energy: 2.636 local terms energy: -364.502202 where: bonds (distance) C4'-P energy: -82.837 bonds (distance) P-C4' energy: -87.367 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -58.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -901.818873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.818873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.818873 (E_RNA) where: Base-Base interactions energy: -584.351 where: short stacking energy: -257.813 Base-Backbone interact. energy: 0.145 local terms energy: -317.613481 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -88.665 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -43.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -528.466352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.466352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.466352 (E_RNA) where: Base-Base interactions energy: -254.680 where: short stacking energy: -142.365 Base-Backbone interact. energy: -4.476 local terms energy: -269.310419 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -88.145 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -50.799 tors. eta vs tors. theta energy: 19.918 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: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -507.615353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.615353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.615353 (E_RNA) where: Base-Base interactions energy: -214.766 where: short stacking energy: -144.805 Base-Backbone interact. energy: 0.882 local terms energy: -293.730829 where: bonds (distance) C4'-P energy: -76.917 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: 0.817 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: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1686.111617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.111617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.111617 (E_RNA) where: Base-Base interactions energy: -1179.615 where: short stacking energy: -486.464 Base-Backbone interact. energy: -2.103 local terms energy: -504.393401 where: bonds (distance) C4'-P energy: -105.151 bonds (distance) P-C4' energy: -94.554 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -119.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1635.937277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.937277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.937277 (E_RNA) where: Base-Base interactions energy: -1135.227 where: short stacking energy: -476.404 Base-Backbone interact. energy: -0.469 local terms energy: -500.241609 where: bonds (distance) C4'-P energy: -101.331 bonds (distance) P-C4' energy: -91.722 flat angles C4'-P-C4' energy: -106.338 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -119.967 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: 76 Temperature: 1.000000 Total energy: -1609.207904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.207904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.207904 (E_RNA) where: Base-Base interactions energy: -1112.094 where: short stacking energy: -468.967 Base-Backbone interact. energy: -1.778 local terms energy: -495.336524 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -92.976 flat angles C4'-P-C4' energy: -108.461 flat angles P-C4'-P energy: -71.429 tors. eta vs tors. theta energy: -137.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1472.076811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.076811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.076811 (E_RNA) where: Base-Base interactions energy: -1028.658 where: short stacking energy: -411.426 Base-Backbone interact. energy: 0.528 local terms energy: -443.947468 where: bonds (distance) C4'-P energy: -90.285 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -95.784 flat angles P-C4'-P energy: -64.704 tors. eta vs tors. theta energy: -112.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1401.273586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.273586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.273586 (E_RNA) where: Base-Base interactions energy: -969.366 where: short stacking energy: -425.904 Base-Backbone interact. energy: -1.392 local terms energy: -430.515786 where: bonds (distance) C4'-P energy: -84.821 bonds (distance) P-C4' energy: -89.183 flat angles C4'-P-C4' energy: -87.623 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -104.947 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: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1224.049908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.049908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.049908 (E_RNA) where: Base-Base interactions energy: -836.130 where: short stacking energy: -366.500 Base-Backbone interact. energy: -0.416 local terms energy: -387.502980 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -64.800 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -90.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1077.419902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.419902 (E_RNA) where: Base-Base interactions energy: -688.549 where: short stacking energy: -327.332 Base-Backbone interact. energy: -1.568 local terms energy: -387.302840 where: bonds (distance) C4'-P energy: -91.087 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -86.312 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: -72.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -872.251214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.251214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.251214 (E_RNA) where: Base-Base interactions energy: -550.881 where: short stacking energy: -251.414 Base-Backbone interact. energy: -3.115 local terms energy: -318.255368 where: bonds (distance) C4'-P energy: -75.487 bonds (distance) P-C4' energy: -80.146 flat angles C4'-P-C4' energy: -81.830 flat angles P-C4'-P energy: -43.350 tors. eta vs tors. theta energy: -37.443 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: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -612.471453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.471453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.471453 (E_RNA) where: Base-Base interactions energy: -323.300 where: short stacking energy: -189.764 Base-Backbone interact. energy: -0.873 local terms energy: -288.297813 where: bonds (distance) C4'-P energy: -78.834 bonds (distance) P-C4' energy: -77.775 flat angles C4'-P-C4' energy: -83.903 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -15.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -505.927971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.927971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.927971 (E_RNA) where: Base-Base interactions energy: -257.476 where: short stacking energy: -158.242 Base-Backbone interact. energy: -1.207 local terms energy: -247.245089 where: bonds (distance) C4'-P energy: -74.136 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1712.241337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.241337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.241337 (E_RNA) where: Base-Base interactions energy: -1190.018 where: short stacking energy: -479.804 Base-Backbone interact. energy: -2.467 local terms energy: -519.756395 where: bonds (distance) C4'-P energy: -90.717 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -117.014 flat angles P-C4'-P energy: -76.053 tors. eta vs tors. theta energy: -131.541 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: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1693.195839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.195839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.195839 (E_RNA) where: Base-Base interactions energy: -1189.392 where: short stacking energy: -481.287 Base-Backbone interact. energy: -2.603 local terms energy: -501.200944 where: bonds (distance) C4'-P energy: -82.245 bonds (distance) P-C4' energy: -97.198 flat angles C4'-P-C4' energy: -110.795 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -146.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1586.243016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.243016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.243016 (E_RNA) where: Base-Base interactions energy: -1099.403 where: short stacking energy: -459.839 Base-Backbone interact. energy: -3.162 local terms energy: -483.678467 where: bonds (distance) C4'-P energy: -94.196 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -102.969 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: -120.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1518.547251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.547251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.547251 (E_RNA) where: Base-Base interactions energy: -1034.264 where: short stacking energy: -451.546 Base-Backbone interact. energy: 2.056 local terms energy: -486.339166 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -102.514 flat angles C4'-P-C4' energy: -106.536 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -130.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1396.317092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.317092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.317092 (E_RNA) where: Base-Base interactions energy: -951.679 where: short stacking energy: -399.310 Base-Backbone interact. energy: 2.473 local terms energy: -447.111286 where: bonds (distance) C4'-P energy: -91.611 bonds (distance) P-C4' energy: -87.972 flat angles C4'-P-C4' energy: -104.414 flat angles P-C4'-P energy: -67.166 tors. eta vs tors. theta energy: -95.948 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: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1180.610285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.610285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.610285 (E_RNA) where: Base-Base interactions energy: -765.186 where: short stacking energy: -321.088 Base-Backbone interact. energy: -0.937 local terms energy: -414.486973 where: bonds (distance) C4'-P energy: -81.722 bonds (distance) P-C4' energy: -92.037 flat angles C4'-P-C4' energy: -91.184 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -81.203 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: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1056.244906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.244906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.244906 (E_RNA) where: Base-Base interactions energy: -690.814 where: short stacking energy: -323.292 Base-Backbone interact. energy: -1.937 local terms energy: -363.494506 where: bonds (distance) C4'-P energy: -75.763 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -86.950 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: -71.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -886.815873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.815873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.815873 (E_RNA) where: Base-Base interactions energy: -538.457 where: short stacking energy: -251.150 Base-Backbone interact. energy: -1.585 local terms energy: -346.774355 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -91.458 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -41.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -575.755990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.755990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.755990 (E_RNA) where: Base-Base interactions energy: -290.251 where: short stacking energy: -162.267 Base-Backbone interact. energy: -1.726 local terms energy: -283.779351 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -79.207 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -523.393052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.393052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.393052 (E_RNA) where: Base-Base interactions energy: -283.361 where: short stacking energy: -185.515 Base-Backbone interact. energy: 1.998 local terms energy: -242.030213 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -74.494 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -26.094 tors. eta vs tors. theta energy: 3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1702.608399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.608399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.608399 (E_RNA) where: Base-Base interactions energy: -1185.451 where: short stacking energy: -509.097 Base-Backbone interact. energy: 0.742 local terms energy: -517.898837 where: bonds (distance) C4'-P energy: -91.284 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -112.985 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: -146.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1686.078775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.078775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.078775 (E_RNA) where: Base-Base interactions energy: -1185.748 where: short stacking energy: -467.729 Base-Backbone interact. energy: -0.710 local terms energy: -499.621520 where: bonds (distance) C4'-P energy: -89.894 bonds (distance) P-C4' energy: -98.982 flat angles C4'-P-C4' energy: -105.968 flat angles P-C4'-P energy: -75.454 tors. eta vs tors. theta energy: -129.323 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: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1596.508215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.508215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.508215 (E_RNA) where: Base-Base interactions energy: -1105.145 where: short stacking energy: -449.837 Base-Backbone interact. energy: -3.523 local terms energy: -487.839893 where: bonds (distance) C4'-P energy: -93.527 bonds (distance) P-C4' energy: -100.647 flat angles C4'-P-C4' energy: -103.077 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -124.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1444.235502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.235502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.235502 (E_RNA) where: Base-Base interactions energy: -973.670 where: short stacking energy: -425.454 Base-Backbone interact. energy: 1.538 local terms energy: -472.103248 where: bonds (distance) C4'-P energy: -103.493 bonds (distance) P-C4' energy: -89.442 flat angles C4'-P-C4' energy: -96.544 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -113.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1391.167295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.167295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.167295 (E_RNA) where: Base-Base interactions energy: -945.346 where: short stacking energy: -421.721 Base-Backbone interact. energy: 0.948 local terms energy: -446.769046 where: bonds (distance) C4'-P energy: -88.418 bonds (distance) P-C4' energy: -96.924 flat angles C4'-P-C4' energy: -93.755 flat angles P-C4'-P energy: -53.184 tors. eta vs tors. theta energy: -114.488 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: 78 Temperature: 1.150000 Total energy: -1238.654312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.654312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.654312 (E_RNA) where: Base-Base interactions energy: -822.667 where: short stacking energy: -372.441 Base-Backbone interact. energy: -2.864 local terms energy: -413.123687 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -83.795 flat angles C4'-P-C4' energy: -92.352 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -85.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1016.712977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.712977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.712977 (E_RNA) where: Base-Base interactions energy: -647.213 where: short stacking energy: -300.145 Base-Backbone interact. energy: -1.770 local terms energy: -367.730535 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -81.503 flat angles C4'-P-C4' energy: -84.143 flat angles P-C4'-P energy: -53.648 tors. eta vs tors. theta energy: -59.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -850.914644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.914644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.914644 (E_RNA) where: Base-Base interactions energy: -549.811 where: short stacking energy: -249.441 Base-Backbone interact. energy: -3.515 local terms energy: -297.589040 where: bonds (distance) C4'-P energy: -76.102 bonds (distance) P-C4' energy: -79.406 flat angles C4'-P-C4' energy: -62.916 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -35.247 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: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -581.276814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.276814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.276814 (E_RNA) where: Base-Base interactions energy: -246.857 where: short stacking energy: -174.037 Base-Backbone interact. energy: -2.403 local terms energy: -332.017074 where: bonds (distance) C4'-P energy: -84.724 bonds (distance) P-C4' energy: -101.099 flat angles C4'-P-C4' energy: -78.266 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: -14.690 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: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -530.729538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.729538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.729538 (E_RNA) where: Base-Base interactions energy: -295.898 where: short stacking energy: -170.724 Base-Backbone interact. energy: 2.258 local terms energy: -237.089173 where: bonds (distance) C4'-P energy: -63.287 bonds (distance) P-C4' energy: -64.315 flat angles C4'-P-C4' energy: -72.749 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: -0.100 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: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1717.414446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.414446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.414446 (E_RNA) where: Base-Base interactions energy: -1192.099 where: short stacking energy: -503.142 Base-Backbone interact. energy: -4.887 local terms energy: -520.428981 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -112.701 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -138.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1658.616739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.616739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.616739 (E_RNA) where: Base-Base interactions energy: -1161.054 where: short stacking energy: -481.328 Base-Backbone interact. energy: -3.077 local terms energy: -494.485742 where: bonds (distance) C4'-P energy: -95.660 bonds (distance) P-C4' energy: -94.124 flat angles C4'-P-C4' energy: -104.600 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -133.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1532.818039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.818039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.818039 (E_RNA) where: Base-Base interactions energy: -1031.454 where: short stacking energy: -437.738 Base-Backbone interact. energy: -0.635 local terms energy: -500.729422 where: bonds (distance) C4'-P energy: -97.453 bonds (distance) P-C4' energy: -85.310 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -78.252 tors. eta vs tors. theta energy: -122.995 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: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1500.865983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.865983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.865983 (E_RNA) where: Base-Base interactions energy: -1041.850 where: short stacking energy: -437.978 Base-Backbone interact. energy: -3.619 local terms energy: -455.396615 where: bonds (distance) C4'-P energy: -85.464 bonds (distance) P-C4' energy: -87.683 flat angles C4'-P-C4' energy: -103.878 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -111.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1361.628774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.628774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.628774 (E_RNA) where: Base-Base interactions energy: -946.705 where: short stacking energy: -391.845 Base-Backbone interact. energy: -2.617 local terms energy: -412.306391 where: bonds (distance) C4'-P energy: -76.508 bonds (distance) P-C4' energy: -94.342 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -61.771 tors. eta vs tors. theta energy: -90.233 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: 79 Temperature: 1.150000 Total energy: -1221.687190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.687190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.687190 (E_RNA) where: Base-Base interactions energy: -805.876 where: short stacking energy: -365.303 Base-Backbone interact. energy: 1.155 local terms energy: -416.966512 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -85.990 flat angles C4'-P-C4' energy: -98.461 flat angles P-C4'-P energy: -69.784 tors. eta vs tors. theta energy: -95.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1030.197440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.197440 (E_RNA) where: Base-Base interactions energy: -670.345 where: short stacking energy: -320.728 Base-Backbone interact. energy: -2.936 local terms energy: -356.915981 where: bonds (distance) C4'-P energy: -58.846 bonds (distance) P-C4' energy: -91.962 flat angles C4'-P-C4' energy: -86.955 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -72.890 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: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -866.913083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.913083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.913083 (E_RNA) where: Base-Base interactions energy: -530.539 where: short stacking energy: -264.405 Base-Backbone interact. energy: -2.664 local terms energy: -333.710193 where: bonds (distance) C4'-P energy: -76.602 bonds (distance) P-C4' energy: -82.955 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -42.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -554.313767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.313767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.313767 (E_RNA) where: Base-Base interactions energy: -295.989 where: short stacking energy: -185.610 Base-Backbone interact. energy: -2.012 local terms energy: -256.313069 where: bonds (distance) C4'-P energy: -63.826 bonds (distance) P-C4' energy: -71.158 flat angles C4'-P-C4' energy: -72.922 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -8.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -529.596111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.596111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.596111 (E_RNA) where: Base-Base interactions energy: -253.020 where: short stacking energy: -150.592 Base-Backbone interact. energy: 0.310 local terms energy: -276.885767 where: bonds (distance) C4'-P energy: -82.733 bonds (distance) P-C4' energy: -78.031 flat angles C4'-P-C4' energy: -69.967 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -4.041 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: 80 Temperature: 0.900000 Total energy: -1711.819414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.819414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.819414 (E_RNA) where: Base-Base interactions energy: -1197.096 where: short stacking energy: -480.392 Base-Backbone interact. energy: -1.737 local terms energy: -512.985795 where: bonds (distance) C4'-P energy: -108.127 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -115.805 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -125.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1686.251085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.251085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.251085 (E_RNA) where: Base-Base interactions energy: -1159.252 where: short stacking energy: -500.452 Base-Backbone interact. energy: -3.599 local terms energy: -523.399873 where: bonds (distance) C4'-P energy: -108.783 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -105.622 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: -138.536 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: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1544.822484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.822484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.822484 (E_RNA) where: Base-Base interactions energy: -1076.408 where: short stacking energy: -429.746 Base-Backbone interact. energy: -1.857 local terms energy: -466.557458 where: bonds (distance) C4'-P energy: -84.394 bonds (distance) P-C4' energy: -91.091 flat angles C4'-P-C4' energy: -110.736 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: -113.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1481.696362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.696362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.696362 (E_RNA) where: Base-Base interactions energy: -1013.609 where: short stacking energy: -432.820 Base-Backbone interact. energy: -1.620 local terms energy: -466.467197 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -91.037 flat angles C4'-P-C4' energy: -106.037 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -118.899 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: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1347.662937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.662937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.662937 (E_RNA) where: Base-Base interactions energy: -910.936 where: short stacking energy: -386.952 Base-Backbone interact. energy: -2.362 local terms energy: -434.364530 where: bonds (distance) C4'-P energy: -72.730 bonds (distance) P-C4' energy: -104.866 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -94.140 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: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1272.371598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.371598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.371598 (E_RNA) where: Base-Base interactions energy: -854.408 where: short stacking energy: -370.072 Base-Backbone interact. energy: -2.400 local terms energy: -415.563414 where: bonds (distance) C4'-P energy: -80.335 bonds (distance) P-C4' energy: -87.837 flat angles C4'-P-C4' energy: -96.265 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -92.995 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: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1051.046050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.046050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.046050 (E_RNA) where: Base-Base interactions energy: -703.819 where: short stacking energy: -317.537 Base-Backbone interact. energy: 1.996 local terms energy: -349.223467 where: bonds (distance) C4'-P energy: -78.841 bonds (distance) P-C4' energy: -84.372 flat angles C4'-P-C4' energy: -87.048 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -54.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -841.316151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.316151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.316151 (E_RNA) where: Base-Base interactions energy: -531.194 where: short stacking energy: -253.440 Base-Backbone interact. energy: 1.322 local terms energy: -311.444210 where: bonds (distance) C4'-P energy: -77.772 bonds (distance) P-C4' energy: -77.361 flat angles C4'-P-C4' energy: -82.863 flat angles P-C4'-P energy: -43.958 tors. eta vs tors. theta energy: -29.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -530.104827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.104827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.104827 (E_RNA) where: Base-Base interactions energy: -239.307 where: short stacking energy: -149.739 Base-Backbone interact. energy: -3.916 local terms energy: -286.882030 where: bonds (distance) C4'-P energy: -78.622 bonds (distance) P-C4' energy: -96.349 flat angles C4'-P-C4' energy: -79.709 flat angles P-C4'-P energy: -36.948 tors. eta vs tors. theta energy: 4.746 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: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -571.978785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.978785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.978785 (E_RNA) where: Base-Base interactions energy: -284.887 where: short stacking energy: -169.542 Base-Backbone interact. energy: -1.624 local terms energy: -285.467267 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -67.861 flat angles P-C4'-P energy: -40.268 tors. eta vs tors. theta energy: -10.223 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: -1708.286920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.286920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.286920 (E_RNA) where: Base-Base interactions energy: -1184.442 where: short stacking energy: -494.853 Base-Backbone interact. energy: -2.231 local terms energy: -521.613615 where: bonds (distance) C4'-P energy: -88.938 bonds (distance) P-C4' energy: -95.049 flat angles C4'-P-C4' energy: -116.597 flat angles P-C4'-P energy: -79.200 tors. eta vs tors. theta energy: -141.830 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: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1650.269096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.269096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.269096 (E_RNA) where: Base-Base interactions energy: -1126.497 where: short stacking energy: -483.830 Base-Backbone interact. energy: -2.124 local terms energy: -521.647289 where: bonds (distance) C4'-P energy: -99.248 bonds (distance) P-C4' energy: -105.381 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -140.875 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: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1562.635811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.635811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.635811 (E_RNA) where: Base-Base interactions energy: -1103.997 where: short stacking energy: -458.706 Base-Backbone interact. energy: -3.244 local terms energy: -455.395584 where: bonds (distance) C4'-P energy: -81.112 bonds (distance) P-C4' energy: -95.958 flat angles C4'-P-C4' energy: -105.979 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -116.517 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: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1471.945145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.945145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.945145 (E_RNA) where: Base-Base interactions energy: -1031.412 where: short stacking energy: -433.694 Base-Backbone interact. energy: -1.770 local terms energy: -438.763293 where: bonds (distance) C4'-P energy: -94.427 bonds (distance) P-C4' energy: -82.079 flat angles C4'-P-C4' energy: -97.671 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -113.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1413.540016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.540016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.540016 (E_RNA) where: Base-Base interactions energy: -988.059 where: short stacking energy: -434.787 Base-Backbone interact. energy: -1.991 local terms energy: -423.489850 where: bonds (distance) C4'-P energy: -76.270 bonds (distance) P-C4' energy: -92.613 flat angles C4'-P-C4' energy: -98.217 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -112.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1220.003901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.003901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.003901 (E_RNA) where: Base-Base interactions energy: -827.413 where: short stacking energy: -355.037 Base-Backbone interact. energy: -1.934 local terms energy: -390.656847 where: bonds (distance) C4'-P energy: -64.947 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -89.464 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -83.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1060.974410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.974410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.974410 (E_RNA) where: Base-Base interactions energy: -680.300 where: short stacking energy: -296.584 Base-Backbone interact. energy: -1.280 local terms energy: -379.394631 where: bonds (distance) C4'-P energy: -90.829 bonds (distance) P-C4' energy: -91.571 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -54.293 tors. eta vs tors. theta energy: -61.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -854.011884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.011884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.011884 (E_RNA) where: Base-Base interactions energy: -515.722 where: short stacking energy: -269.881 Base-Backbone interact. energy: 0.427 local terms energy: -338.716583 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -96.523 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -27.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -543.852804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.852804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.852804 (E_RNA) where: Base-Base interactions energy: -258.227 where: short stacking energy: -170.053 Base-Backbone interact. energy: 2.847 local terms energy: -288.472888 where: bonds (distance) C4'-P energy: -68.610 bonds (distance) P-C4' energy: -93.387 flat angles C4'-P-C4' energy: -71.170 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -577.521115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.521115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.521115 (E_RNA) where: Base-Base interactions energy: -310.097 where: short stacking energy: -171.499 Base-Backbone interact. energy: 1.605 local terms energy: -269.029229 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -94.958 flat angles C4'-P-C4' energy: -61.149 flat angles P-C4'-P energy: -42.661 tors. eta vs tors. theta energy: 7.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1707.062823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.062823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.062823 (E_RNA) where: Base-Base interactions energy: -1173.239 where: short stacking energy: -498.426 Base-Backbone interact. energy: -1.378 local terms energy: -532.444935 where: bonds (distance) C4'-P energy: -110.280 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -74.520 tors. eta vs tors. theta energy: -140.146 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: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1677.012486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.012486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.012486 (E_RNA) where: Base-Base interactions energy: -1134.547 where: short stacking energy: -486.434 Base-Backbone interact. energy: -4.613 local terms energy: -537.853011 where: bonds (distance) C4'-P energy: -103.473 bonds (distance) P-C4' energy: -99.954 flat angles C4'-P-C4' energy: -110.829 flat angles P-C4'-P energy: -76.247 tors. eta vs tors. theta energy: -147.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1529.296578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.296578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.296578 (E_RNA) where: Base-Base interactions energy: -1079.423 where: short stacking energy: -458.396 Base-Backbone interact. energy: 1.874 local terms energy: -451.747707 where: bonds (distance) C4'-P energy: -82.933 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -103.863 flat angles P-C4'-P energy: -56.645 tors. eta vs tors. theta energy: -114.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1476.081043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.081043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.081043 (E_RNA) where: Base-Base interactions energy: -1018.186 where: short stacking energy: -421.051 Base-Backbone interact. energy: -3.342 local terms energy: -454.552970 where: bonds (distance) C4'-P energy: -83.182 bonds (distance) P-C4' energy: -95.674 flat angles C4'-P-C4' energy: -98.518 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -109.205 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: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1408.980442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.980442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.980442 (E_RNA) where: Base-Base interactions energy: -956.928 where: short stacking energy: -404.978 Base-Backbone interact. energy: -1.061 local terms energy: -450.990627 where: bonds (distance) C4'-P energy: -85.015 bonds (distance) P-C4' energy: -90.139 flat angles C4'-P-C4' energy: -96.840 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -116.120 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: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1210.572438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.572438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.572438 (E_RNA) where: Base-Base interactions energy: -790.644 where: short stacking energy: -353.221 Base-Backbone interact. energy: -4.465 local terms energy: -415.463291 where: bonds (distance) C4'-P energy: -87.598 bonds (distance) P-C4' energy: -95.654 flat angles C4'-P-C4' energy: -90.084 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -84.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1048.059199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.059199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.059199 (E_RNA) where: Base-Base interactions energy: -651.963 where: short stacking energy: -307.442 Base-Backbone interact. energy: 1.185 local terms energy: -397.280760 where: bonds (distance) C4'-P energy: -85.632 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -85.225 flat angles P-C4'-P energy: -62.172 tors. eta vs tors. theta energy: -71.556 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: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -868.122546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.122546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.122546 (E_RNA) where: Base-Base interactions energy: -534.656 where: short stacking energy: -250.898 Base-Backbone interact. energy: -3.471 local terms energy: -329.995780 where: bonds (distance) C4'-P energy: -67.095 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -85.793 flat angles P-C4'-P energy: -55.746 tors. eta vs tors. theta energy: -36.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -616.412353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.412353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.412353 (E_RNA) where: Base-Base interactions energy: -317.826 where: short stacking energy: -183.096 Base-Backbone interact. energy: -2.441 local terms energy: -296.145145 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -82.709 flat angles C4'-P-C4' energy: -70.130 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -23.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -549.672787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.672787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.672787 (E_RNA) where: Base-Base interactions energy: -268.062 where: short stacking energy: -175.100 Base-Backbone interact. energy: -0.450 local terms energy: -281.160439 where: bonds (distance) C4'-P energy: -79.353 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -66.609 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1714.429701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.429701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.429701 (E_RNA) where: Base-Base interactions energy: -1189.782 where: short stacking energy: -515.411 Base-Backbone interact. energy: -4.382 local terms energy: -520.265118 where: bonds (distance) C4'-P energy: -90.815 bonds (distance) P-C4' energy: -94.914 flat angles C4'-P-C4' energy: -109.962 flat angles P-C4'-P energy: -80.406 tors. eta vs tors. theta energy: -144.168 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: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1665.954035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.954035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.954035 (E_RNA) where: Base-Base interactions energy: -1168.804 where: short stacking energy: -486.700 Base-Backbone interact. energy: -1.808 local terms energy: -495.342040 where: bonds (distance) C4'-P energy: -87.259 bonds (distance) P-C4' energy: -100.650 flat angles C4'-P-C4' energy: -107.887 flat angles P-C4'-P energy: -61.168 tors. eta vs tors. theta energy: -138.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1511.201167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.201167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.201167 (E_RNA) where: Base-Base interactions energy: -1063.368 where: short stacking energy: -449.000 Base-Backbone interact. energy: -1.743 local terms energy: -446.090160 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -94.792 flat angles C4'-P-C4' energy: -110.025 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -101.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1447.757424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.757424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.757424 (E_RNA) where: Base-Base interactions energy: -1007.882 where: short stacking energy: -443.564 Base-Backbone interact. energy: 1.997 local terms energy: -441.872726 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -85.477 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -60.134 tors. eta vs tors. theta energy: -112.556 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: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1406.165159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.165159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.165159 (E_RNA) where: Base-Base interactions energy: -955.784 where: short stacking energy: -425.308 Base-Backbone interact. energy: -3.195 local terms energy: -447.186853 where: bonds (distance) C4'-P energy: -90.688 bonds (distance) P-C4' energy: -94.254 flat angles C4'-P-C4' energy: -106.035 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -95.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1213.984168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.984168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.984168 (E_RNA) where: Base-Base interactions energy: -801.162 where: short stacking energy: -351.347 Base-Backbone interact. energy: -1.398 local terms energy: -411.423786 where: bonds (distance) C4'-P energy: -81.579 bonds (distance) P-C4' energy: -87.408 flat angles C4'-P-C4' energy: -93.875 flat angles P-C4'-P energy: -65.176 tors. eta vs tors. theta energy: -83.385 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: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1048.781923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.781923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.781923 (E_RNA) where: Base-Base interactions energy: -699.640 where: short stacking energy: -351.320 Base-Backbone interact. energy: 0.492 local terms energy: -349.633584 where: bonds (distance) C4'-P energy: -60.296 bonds (distance) P-C4' energy: -75.678 flat angles C4'-P-C4' energy: -86.135 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -74.531 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: 83 Temperature: 1.250000 Total energy: -933.515814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.515814 (E_RNA) where: Base-Base interactions energy: -598.465 where: short stacking energy: -255.746 Base-Backbone interact. energy: -0.260 local terms energy: -334.790858 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -94.133 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -45.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -613.508844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.508844 (E_RNA) where: Base-Base interactions energy: -312.989 where: short stacking energy: -188.010 Base-Backbone interact. energy: 0.557 local terms energy: -301.076776 where: bonds (distance) C4'-P energy: -95.833 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -70.093 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: -19.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -557.182552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.182552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.182552 (E_RNA) where: Base-Base interactions energy: -273.418 where: short stacking energy: -163.179 Base-Backbone interact. energy: 2.501 local terms energy: -286.265676 where: bonds (distance) C4'-P energy: -83.393 bonds (distance) P-C4' energy: -92.220 flat angles C4'-P-C4' energy: -72.224 flat angles P-C4'-P energy: -30.605 tors. eta vs tors. theta energy: -7.824 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: 84 Temperature: 0.900000 Total energy: -1708.707437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.707437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.707437 (E_RNA) where: Base-Base interactions energy: -1191.637 where: short stacking energy: -496.954 Base-Backbone interact. energy: -1.260 local terms energy: -515.810285 where: bonds (distance) C4'-P energy: -92.374 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -80.740 tors. eta vs tors. theta energy: -131.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1657.634444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.634444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.634444 (E_RNA) where: Base-Base interactions energy: -1163.791 where: short stacking energy: -480.855 Base-Backbone interact. energy: -2.642 local terms energy: -491.201108 where: bonds (distance) C4'-P energy: -92.329 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -109.699 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -129.428 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: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1527.679533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.679533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.679533 (E_RNA) where: Base-Base interactions energy: -1058.192 where: short stacking energy: -477.835 Base-Backbone interact. energy: -3.313 local terms energy: -466.173690 where: bonds (distance) C4'-P energy: -76.411 bonds (distance) P-C4' energy: -95.802 flat angles C4'-P-C4' energy: -104.504 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -124.686 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: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1488.119905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.119905 (E_RNA) where: Base-Base interactions energy: -1040.472 where: short stacking energy: -427.268 Base-Backbone interact. energy: 1.163 local terms energy: -448.810782 where: bonds (distance) C4'-P energy: -88.776 bonds (distance) P-C4' energy: -94.970 flat angles C4'-P-C4' energy: -95.840 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: -106.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1394.725799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.725799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.725799 (E_RNA) where: Base-Base interactions energy: -946.909 where: short stacking energy: -408.872 Base-Backbone interact. energy: -0.860 local terms energy: -446.956744 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -98.415 flat angles C4'-P-C4' energy: -105.960 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -101.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1189.194243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.194243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.194243 (E_RNA) where: Base-Base interactions energy: -789.882 where: short stacking energy: -371.082 Base-Backbone interact. energy: 0.046 local terms energy: -399.358098 where: bonds (distance) C4'-P energy: -79.831 bonds (distance) P-C4' energy: -81.160 flat angles C4'-P-C4' energy: -95.872 flat angles P-C4'-P energy: -54.737 tors. eta vs tors. theta energy: -87.759 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: 84 Temperature: 1.200000 Total energy: -1114.252944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.252944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.252944 (E_RNA) where: Base-Base interactions energy: -707.419 where: short stacking energy: -333.825 Base-Backbone interact. energy: -1.851 local terms energy: -404.983379 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -97.780 flat angles C4'-P-C4' energy: -94.798 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -81.893 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: 84 Temperature: 1.250000 Total energy: -925.462608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.462608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.462608 (E_RNA) where: Base-Base interactions energy: -571.128 where: short stacking energy: -255.883 Base-Backbone interact. energy: 1.903 local terms energy: -356.237931 where: bonds (distance) C4'-P energy: -81.375 bonds (distance) P-C4' energy: -89.180 flat angles C4'-P-C4' energy: -84.880 flat angles P-C4'-P energy: -61.818 tors. eta vs tors. theta energy: -38.986 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: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -574.004499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.004499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.004499 (E_RNA) where: Base-Base interactions energy: -274.565 where: short stacking energy: -181.282 Base-Backbone interact. energy: 0.226 local terms energy: -299.665233 where: bonds (distance) C4'-P energy: -81.628 bonds (distance) P-C4' energy: -81.937 flat angles C4'-P-C4' energy: -70.246 flat angles P-C4'-P energy: -58.803 tors. eta vs tors. theta energy: -7.051 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: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -536.695400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.695400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.695400 (E_RNA) where: Base-Base interactions energy: -270.706 where: short stacking energy: -159.012 Base-Backbone interact. energy: -2.071 local terms energy: -263.917916 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -67.941 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -1.558 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: 85 Temperature: 0.900000 Total energy: -1707.311550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.311550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.311550 (E_RNA) where: Base-Base interactions energy: -1188.144 where: short stacking energy: -499.801 Base-Backbone interact. energy: 1.535 local terms energy: -520.702820 where: bonds (distance) C4'-P energy: -90.468 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -106.316 flat angles P-C4'-P energy: -70.531 tors. eta vs tors. theta energy: -138.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1636.236423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.236423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.236423 (E_RNA) where: Base-Base interactions energy: -1139.485 where: short stacking energy: -484.586 Base-Backbone interact. energy: -0.488 local terms energy: -496.262640 where: bonds (distance) C4'-P energy: -96.338 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -106.205 flat angles P-C4'-P energy: -75.229 tors. eta vs tors. theta energy: -131.951 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: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1531.284161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.284161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.284161 (E_RNA) where: Base-Base interactions energy: -1067.059 where: short stacking energy: -458.459 Base-Backbone interact. energy: -2.152 local terms energy: -462.073524 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -98.571 flat angles C4'-P-C4' energy: -101.877 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -123.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1486.537289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.537289 (E_RNA) where: Base-Base interactions energy: -1012.662 where: short stacking energy: -445.361 Base-Backbone interact. energy: -1.595 local terms energy: -472.280048 where: bonds (distance) C4'-P energy: -96.425 bonds (distance) P-C4' energy: -100.783 flat angles C4'-P-C4' energy: -98.038 flat angles P-C4'-P energy: -57.982 tors. eta vs tors. theta energy: -119.052 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: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1410.075463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.075463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.075463 (E_RNA) where: Base-Base interactions energy: -967.963 where: short stacking energy: -398.548 Base-Backbone interact. energy: -0.863 local terms energy: -441.249828 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -55.811 tors. eta vs tors. theta energy: -111.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1222.861936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.861936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.861936 (E_RNA) where: Base-Base interactions energy: -800.795 where: short stacking energy: -361.400 Base-Backbone interact. energy: -0.522 local terms energy: -421.544734 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -94.527 flat angles C4'-P-C4' energy: -101.607 flat angles P-C4'-P energy: -61.854 tors. eta vs tors. theta energy: -87.303 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: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1067.644779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.644779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.644779 (E_RNA) where: Base-Base interactions energy: -685.747 where: short stacking energy: -315.823 Base-Backbone interact. energy: -1.399 local terms energy: -380.498735 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -94.345 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -60.707 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: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -927.821435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.821435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.821435 (E_RNA) where: Base-Base interactions energy: -599.086 where: short stacking energy: -252.848 Base-Backbone interact. energy: -1.067 local terms energy: -327.668571 where: bonds (distance) C4'-P energy: -80.218 bonds (distance) P-C4' energy: -92.094 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -30.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -627.674359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.674359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.674359 (E_RNA) where: Base-Base interactions energy: -310.499 where: short stacking energy: -194.645 Base-Backbone interact. energy: 6.025 local terms energy: -323.200369 where: bonds (distance) C4'-P energy: -84.176 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -81.205 flat angles P-C4'-P energy: -52.538 tors. eta vs tors. theta energy: -16.621 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: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -526.147032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.147032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.147032 (E_RNA) where: Base-Base interactions energy: -251.930 where: short stacking energy: -145.978 Base-Backbone interact. energy: -0.861 local terms energy: -273.355528 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -77.535 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: 5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1686.481679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.481679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.481679 (E_RNA) where: Base-Base interactions energy: -1169.263 where: short stacking energy: -485.906 Base-Backbone interact. energy: 0.706 local terms energy: -517.924298 where: bonds (distance) C4'-P energy: -96.979 bonds (distance) P-C4' energy: -104.526 flat angles C4'-P-C4' energy: -108.381 flat angles P-C4'-P energy: -75.577 tors. eta vs tors. theta energy: -132.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1659.199202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.199202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.199202 (E_RNA) where: Base-Base interactions energy: -1133.605 where: short stacking energy: -468.626 Base-Backbone interact. energy: -3.346 local terms energy: -522.247961 where: bonds (distance) C4'-P energy: -103.985 bonds (distance) P-C4' energy: -91.826 flat angles C4'-P-C4' energy: -112.827 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -140.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1570.087830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.087830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.087830 (E_RNA) where: Base-Base interactions energy: -1096.460 where: short stacking energy: -450.738 Base-Backbone interact. energy: -3.186 local terms energy: -470.442003 where: bonds (distance) C4'-P energy: -99.753 bonds (distance) P-C4' energy: -98.680 flat angles C4'-P-C4' energy: -94.931 flat angles P-C4'-P energy: -62.116 tors. eta vs tors. theta energy: -114.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1482.149213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.149213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.149213 (E_RNA) where: Base-Base interactions energy: -1014.461 where: short stacking energy: -450.286 Base-Backbone interact. energy: 0.179 local terms energy: -467.867121 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -100.121 flat angles C4'-P-C4' energy: -100.239 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -119.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1372.032628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.032628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.032628 (E_RNA) where: Base-Base interactions energy: -962.875 where: short stacking energy: -413.557 Base-Backbone interact. energy: -1.720 local terms energy: -407.437596 where: bonds (distance) C4'-P energy: -71.535 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -58.845 tors. eta vs tors. theta energy: -101.230 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: 86 Temperature: 1.150000 Total energy: -1218.485329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.485329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.485329 (E_RNA) where: Base-Base interactions energy: -789.923 where: short stacking energy: -353.887 Base-Backbone interact. energy: -4.535 local terms energy: -424.027076 where: bonds (distance) C4'-P energy: -93.398 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -98.639 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -99.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1011.015276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.015276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.015276 (E_RNA) where: Base-Base interactions energy: -630.034 where: short stacking energy: -280.479 Base-Backbone interact. energy: -2.803 local terms energy: -378.178500 where: bonds (distance) C4'-P energy: -85.463 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -88.980 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -54.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -946.678406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.678406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.678406 (E_RNA) where: Base-Base interactions energy: -598.792 where: short stacking energy: -252.516 Base-Backbone interact. energy: -0.010 local terms energy: -347.876440 where: bonds (distance) C4'-P energy: -81.338 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -95.146 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: -41.238 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: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -618.022801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.022801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.022801 (E_RNA) where: Base-Base interactions energy: -344.322 where: short stacking energy: -187.277 Base-Backbone interact. energy: 0.435 local terms energy: -274.135646 where: bonds (distance) C4'-P energy: -69.480 bonds (distance) P-C4' energy: -84.397 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -44.019 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -503.510840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.510840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.510840 (E_RNA) where: Base-Base interactions energy: -233.162 where: short stacking energy: -129.184 Base-Backbone interact. energy: -2.520 local terms energy: -267.828757 where: bonds (distance) C4'-P energy: -73.008 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -44.626 tors. eta vs tors. theta energy: 0.430 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: 87 Temperature: 0.900000 Total energy: -1687.377651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.377651 (E_RNA) where: Base-Base interactions energy: -1187.657 where: short stacking energy: -490.677 Base-Backbone interact. energy: 3.124 local terms energy: -502.845136 where: bonds (distance) C4'-P energy: -91.188 bonds (distance) P-C4' energy: -105.386 flat angles C4'-P-C4' energy: -98.677 flat angles P-C4'-P energy: -74.746 tors. eta vs tors. theta energy: -132.849 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: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1656.526379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.526379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.526379 (E_RNA) where: Base-Base interactions energy: -1151.817 where: short stacking energy: -483.804 Base-Backbone interact. energy: -3.683 local terms energy: -501.027294 where: bonds (distance) C4'-P energy: -97.487 bonds (distance) P-C4' energy: -92.257 flat angles C4'-P-C4' energy: -100.014 flat angles P-C4'-P energy: -77.040 tors. eta vs tors. theta energy: -134.229 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: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1545.103173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.103173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.103173 (E_RNA) where: Base-Base interactions energy: -1061.928 where: short stacking energy: -453.429 Base-Backbone interact. energy: -3.311 local terms energy: -479.864255 where: bonds (distance) C4'-P energy: -95.349 bonds (distance) P-C4' energy: -100.676 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -60.866 tors. eta vs tors. theta energy: -114.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1484.509303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.509303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.509303 (E_RNA) where: Base-Base interactions energy: -1029.940 where: short stacking energy: -437.077 Base-Backbone interact. energy: 0.692 local terms energy: -455.261909 where: bonds (distance) C4'-P energy: -92.120 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -114.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1367.775176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.775176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.775176 (E_RNA) where: Base-Base interactions energy: -933.454 where: short stacking energy: -387.330 Base-Backbone interact. energy: -4.484 local terms energy: -429.837336 where: bonds (distance) C4'-P energy: -86.001 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -93.210 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -88.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1265.842957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.842957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.842957 (E_RNA) where: Base-Base interactions energy: -872.886 where: short stacking energy: -396.583 Base-Backbone interact. energy: -0.657 local terms energy: -392.300517 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -72.302 flat angles C4'-P-C4' energy: -93.180 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -97.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -945.502067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.502067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.502067 (E_RNA) where: Base-Base interactions energy: -585.856 where: short stacking energy: -260.539 Base-Backbone interact. energy: 1.615 local terms energy: -361.260541 where: bonds (distance) C4'-P energy: -73.449 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -80.710 flat angles P-C4'-P energy: -71.378 tors. eta vs tors. theta energy: -40.318 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: 87 Temperature: 1.250000 Total energy: -1007.479333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.479333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.479333 (E_RNA) where: Base-Base interactions energy: -643.922 where: short stacking energy: -292.105 Base-Backbone interact. energy: -1.213 local terms energy: -362.344339 where: bonds (distance) C4'-P energy: -79.571 bonds (distance) P-C4' energy: -76.380 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -69.361 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: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -653.007963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.007963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.007963 (E_RNA) where: Base-Base interactions energy: -318.298 where: short stacking energy: -204.723 Base-Backbone interact. energy: -0.762 local terms energy: -333.947772 where: bonds (distance) C4'-P energy: -74.129 bonds (distance) P-C4' energy: -97.095 flat angles C4'-P-C4' energy: -84.992 flat angles P-C4'-P energy: -54.371 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: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -525.527585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.527585 (E_RNA) where: Base-Base interactions energy: -252.846 where: short stacking energy: -163.896 Base-Backbone interact. energy: -0.111 local terms energy: -272.570689 where: bonds (distance) C4'-P energy: -76.733 bonds (distance) P-C4' energy: -80.449 flat angles C4'-P-C4' energy: -64.239 flat angles P-C4'-P energy: -51.452 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: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1690.945693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.945693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.945693 (E_RNA) where: Base-Base interactions energy: -1201.038 where: short stacking energy: -495.061 Base-Backbone interact. energy: 1.653 local terms energy: -491.560192 where: bonds (distance) C4'-P energy: -88.544 bonds (distance) P-C4' energy: -86.793 flat angles C4'-P-C4' energy: -108.892 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -133.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1621.305613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.305613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.305613 (E_RNA) where: Base-Base interactions energy: -1102.799 where: short stacking energy: -476.983 Base-Backbone interact. energy: -1.557 local terms energy: -516.949150 where: bonds (distance) C4'-P energy: -95.188 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -111.618 flat angles P-C4'-P energy: -76.868 tors. eta vs tors. theta energy: -134.121 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: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1531.280859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.280859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.280859 (E_RNA) where: Base-Base interactions energy: -1053.685 where: short stacking energy: -459.059 Base-Backbone interact. energy: -2.750 local terms energy: -474.845964 where: bonds (distance) C4'-P energy: -95.437 bonds (distance) P-C4' energy: -91.851 flat angles C4'-P-C4' energy: -103.858 flat angles P-C4'-P energy: -58.770 tors. eta vs tors. theta energy: -124.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1505.377193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.377193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.377193 (E_RNA) where: Base-Base interactions energy: -1033.390 where: short stacking energy: -450.952 Base-Backbone interact. energy: -3.389 local terms energy: -468.598344 where: bonds (distance) C4'-P energy: -88.189 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -105.756 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -122.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1363.773466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.773466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.773466 (E_RNA) where: Base-Base interactions energy: -924.877 where: short stacking energy: -401.735 Base-Backbone interact. energy: -3.303 local terms energy: -435.593736 where: bonds (distance) C4'-P energy: -82.838 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -97.505 flat angles P-C4'-P energy: -61.090 tors. eta vs tors. theta energy: -102.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1213.848563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.848563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.848563 (E_RNA) where: Base-Base interactions energy: -829.095 where: short stacking energy: -367.785 Base-Backbone interact. energy: 0.806 local terms energy: -385.559584 where: bonds (distance) C4'-P energy: -74.284 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -84.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1086.705607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.705607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.705607 (E_RNA) where: Base-Base interactions energy: -710.615 where: short stacking energy: -325.724 Base-Backbone interact. energy: -1.983 local terms energy: -374.107721 where: bonds (distance) C4'-P energy: -84.477 bonds (distance) P-C4' energy: -86.200 flat angles C4'-P-C4' energy: -90.915 flat angles P-C4'-P energy: -52.185 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: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -933.238877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.238877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.238877 (E_RNA) where: Base-Base interactions energy: -567.275 where: short stacking energy: -267.167 Base-Backbone interact. energy: -0.345 local terms energy: -365.619227 where: bonds (distance) C4'-P energy: -91.835 bonds (distance) P-C4' energy: -88.572 flat angles C4'-P-C4' energy: -82.654 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -47.168 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: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -581.381529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.381529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.381529 (E_RNA) where: Base-Base interactions energy: -277.906 where: short stacking energy: -161.401 Base-Backbone interact. energy: -0.545 local terms energy: -302.930318 where: bonds (distance) C4'-P energy: -89.298 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -82.252 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -16.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -482.035370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.035370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.035370 (E_RNA) where: Base-Base interactions energy: -229.298 where: short stacking energy: -158.520 Base-Backbone interact. energy: 1.163 local terms energy: -253.899837 where: bonds (distance) C4'-P energy: -75.382 bonds (distance) P-C4' energy: -93.053 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -23.453 tors. eta vs tors. theta energy: 4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1663.011770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.011770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.011770 (E_RNA) where: Base-Base interactions energy: -1150.863 where: short stacking energy: -463.744 Base-Backbone interact. energy: -0.082 local terms energy: -512.066080 where: bonds (distance) C4'-P energy: -106.896 bonds (distance) P-C4' energy: -89.827 flat angles C4'-P-C4' energy: -114.099 flat angles P-C4'-P energy: -70.524 tors. eta vs tors. theta energy: -130.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1648.260735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.260735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.260735 (E_RNA) where: Base-Base interactions energy: -1140.486 where: short stacking energy: -490.355 Base-Backbone interact. energy: -3.984 local terms energy: -503.790713 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -103.340 flat angles C4'-P-C4' energy: -112.830 flat angles P-C4'-P energy: -68.348 tors. eta vs tors. theta energy: -132.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1528.281277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.281277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.281277 (E_RNA) where: Base-Base interactions energy: -1039.129 where: short stacking energy: -433.450 Base-Backbone interact. energy: -2.591 local terms energy: -486.560802 where: bonds (distance) C4'-P energy: -99.093 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -105.395 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -115.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1505.220866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.220866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.220866 (E_RNA) where: Base-Base interactions energy: -1036.322 where: short stacking energy: -468.780 Base-Backbone interact. energy: -2.359 local terms energy: -466.539892 where: bonds (distance) C4'-P energy: -83.312 bonds (distance) P-C4' energy: -93.528 flat angles C4'-P-C4' energy: -103.719 flat angles P-C4'-P energy: -64.960 tors. eta vs tors. theta energy: -121.021 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: 5, replica: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1418.351544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.351544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.351544 (E_RNA) where: Base-Base interactions energy: -995.590 where: short stacking energy: -433.536 Base-Backbone interact. energy: 1.823 local terms energy: -424.584918 where: bonds (distance) C4'-P energy: -69.114 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -97.120 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -111.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1243.908267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.908267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.908267 (E_RNA) where: Base-Base interactions energy: -824.259 where: short stacking energy: -362.961 Base-Backbone interact. energy: -0.239 local terms energy: -419.410492 where: bonds (distance) C4'-P energy: -79.499 bonds (distance) P-C4' energy: -88.437 flat angles C4'-P-C4' energy: -98.416 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: -99.117 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: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1099.965431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.965431 (E_RNA) where: Base-Base interactions energy: -708.331 where: short stacking energy: -296.913 Base-Backbone interact. energy: -0.820 local terms energy: -390.814805 where: bonds (distance) C4'-P energy: -77.791 bonds (distance) P-C4' energy: -89.206 flat angles C4'-P-C4' energy: -84.714 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -82.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -958.492656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.492656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.492656 (E_RNA) where: Base-Base interactions energy: -615.885 where: short stacking energy: -290.782 Base-Backbone interact. energy: 4.532 local terms energy: -347.140069 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -48.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -606.591492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.591492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.591492 (E_RNA) where: Base-Base interactions energy: -291.443 where: short stacking energy: -173.792 Base-Backbone interact. energy: 1.475 local terms energy: -316.623328 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -97.105 flat angles C4'-P-C4' energy: -78.644 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -5.089 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: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -493.491420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.491420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.491420 (E_RNA) where: Base-Base interactions energy: -186.894 where: short stacking energy: -131.837 Base-Backbone interact. energy: -1.603 local terms energy: -304.993916 where: bonds (distance) C4'-P energy: -75.709 bonds (distance) P-C4' energy: -82.858 flat angles C4'-P-C4' energy: -88.005 flat angles P-C4'-P energy: -52.075 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1683.349046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.349046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.349046 (E_RNA) where: Base-Base interactions energy: -1168.082 where: short stacking energy: -503.125 Base-Backbone interact. energy: -3.538 local terms energy: -511.729189 where: bonds (distance) C4'-P energy: -94.032 bonds (distance) P-C4' energy: -90.695 flat angles C4'-P-C4' energy: -114.193 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -141.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1663.528933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.528933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.528933 (E_RNA) where: Base-Base interactions energy: -1164.937 where: short stacking energy: -486.474 Base-Backbone interact. energy: -3.613 local terms energy: -494.978643 where: bonds (distance) C4'-P energy: -91.173 bonds (distance) P-C4' energy: -97.990 flat angles C4'-P-C4' energy: -101.613 flat angles P-C4'-P energy: -70.033 tors. eta vs tors. theta energy: -134.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1546.943320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.943320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.943320 (E_RNA) where: Base-Base interactions energy: -1092.408 where: short stacking energy: -463.518 Base-Backbone interact. energy: 2.039 local terms energy: -456.573999 where: bonds (distance) C4'-P energy: -77.501 bonds (distance) P-C4' energy: -94.745 flat angles C4'-P-C4' energy: -103.236 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -121.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1478.153051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.153051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.153051 (E_RNA) where: Base-Base interactions energy: -1026.746 where: short stacking energy: -420.730 Base-Backbone interact. energy: 1.309 local terms energy: -452.716046 where: bonds (distance) C4'-P energy: -92.040 bonds (distance) P-C4' energy: -89.802 flat angles C4'-P-C4' energy: -101.400 flat angles P-C4'-P energy: -61.942 tors. eta vs tors. theta energy: -107.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1423.548821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.548821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.548821 (E_RNA) where: Base-Base interactions energy: -971.642 where: short stacking energy: -410.764 Base-Backbone interact. energy: -2.411 local terms energy: -449.495419 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -94.343 flat angles C4'-P-C4' energy: -106.394 flat angles P-C4'-P energy: -61.143 tors. eta vs tors. theta energy: -105.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1191.123874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.123874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.123874 (E_RNA) where: Base-Base interactions energy: -770.441 where: short stacking energy: -357.766 Base-Backbone interact. energy: -2.725 local terms energy: -417.958589 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -93.568 flat angles P-C4'-P energy: -59.103 tors. eta vs tors. theta energy: -91.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1101.353750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.353750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.353750 (E_RNA) where: Base-Base interactions energy: -724.207 where: short stacking energy: -331.147 Base-Backbone interact. energy: -0.507 local terms energy: -376.640589 where: bonds (distance) C4'-P energy: -93.328 bonds (distance) P-C4' energy: -81.010 flat angles C4'-P-C4' energy: -73.182 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: -77.301 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: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -942.137977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.137977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.137977 (E_RNA) where: Base-Base interactions energy: -621.122 where: short stacking energy: -290.049 Base-Backbone interact. energy: -2.771 local terms energy: -318.245254 where: bonds (distance) C4'-P energy: -81.141 bonds (distance) P-C4' energy: -72.700 flat angles C4'-P-C4' energy: -70.683 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -43.433 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: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -592.610660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.610660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.610660 (E_RNA) where: Base-Base interactions energy: -281.294 where: short stacking energy: -151.011 Base-Backbone interact. energy: 1.247 local terms energy: -312.563469 where: bonds (distance) C4'-P energy: -85.537 bonds (distance) P-C4' energy: -79.002 flat angles C4'-P-C4' energy: -70.715 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -23.171 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: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -537.368027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.368027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.368027 (E_RNA) where: Base-Base interactions energy: -257.654 where: short stacking energy: -149.998 Base-Backbone interact. energy: 3.171 local terms energy: -282.885088 where: bonds (distance) C4'-P energy: -91.416 bonds (distance) P-C4' energy: -89.536 flat angles C4'-P-C4' energy: -46.357 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1691.710402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.710402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.710402 (E_RNA) where: Base-Base interactions energy: -1175.965 where: short stacking energy: -495.743 Base-Backbone interact. energy: -2.266 local terms energy: -513.479327 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -101.930 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -139.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1671.346214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.346214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.346214 (E_RNA) where: Base-Base interactions energy: -1131.991 where: short stacking energy: -471.180 Base-Backbone interact. energy: -2.625 local terms energy: -536.730515 where: bonds (distance) C4'-P energy: -98.010 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -105.857 flat angles P-C4'-P energy: -90.637 tors. eta vs tors. theta energy: -137.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1557.975392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.975392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.975392 (E_RNA) where: Base-Base interactions energy: -1095.783 where: short stacking energy: -448.011 Base-Backbone interact. energy: 0.623 local terms energy: -462.814980 where: bonds (distance) C4'-P energy: -82.341 bonds (distance) P-C4' energy: -91.237 flat angles C4'-P-C4' energy: -98.034 flat angles P-C4'-P energy: -70.917 tors. eta vs tors. theta energy: -120.287 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1514.169173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.169173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.169173 (E_RNA) where: Base-Base interactions energy: -1072.227 where: short stacking energy: -426.667 Base-Backbone interact. energy: -0.198 local terms energy: -441.744005 where: bonds (distance) C4'-P energy: -83.618 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -98.288 flat angles P-C4'-P energy: -67.237 tors. eta vs tors. theta energy: -108.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1443.500750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.500750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.500750 (E_RNA) where: Base-Base interactions energy: -980.879 where: short stacking energy: -415.677 Base-Backbone interact. energy: -1.946 local terms energy: -460.676453 where: bonds (distance) C4'-P energy: -88.027 bonds (distance) P-C4' energy: -92.218 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -69.250 tors. eta vs tors. theta energy: -111.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1181.582282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.582282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.582282 (E_RNA) where: Base-Base interactions energy: -778.909 where: short stacking energy: -367.250 Base-Backbone interact. energy: 0.197 local terms energy: -402.870677 where: bonds (distance) C4'-P energy: -86.088 bonds (distance) P-C4' energy: -73.289 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: -95.099 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: 91 Temperature: 1.200000 Total energy: -1140.088388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.088388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.088388 (E_RNA) where: Base-Base interactions energy: -762.999 where: short stacking energy: -334.024 Base-Backbone interact. energy: -2.639 local terms energy: -374.449753 where: bonds (distance) C4'-P energy: -77.141 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -89.745 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -77.299 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: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -926.439751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.439751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.439751 (E_RNA) where: Base-Base interactions energy: -558.263 where: short stacking energy: -264.198 Base-Backbone interact. energy: 0.449 local terms energy: -368.626050 where: bonds (distance) C4'-P energy: -77.555 bonds (distance) P-C4' energy: -94.954 flat angles C4'-P-C4' energy: -97.830 flat angles P-C4'-P energy: -57.016 tors. eta vs tors. theta energy: -41.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -588.522534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.522534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.522534 (E_RNA) where: Base-Base interactions energy: -294.343 where: short stacking energy: -200.338 Base-Backbone interact. energy: -1.799 local terms energy: -292.380847 where: bonds (distance) C4'-P energy: -73.229 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -65.201 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -7.511 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: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -600.558297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.558297 (E_RNA) where: Base-Base interactions energy: -292.999 where: short stacking energy: -187.153 Base-Backbone interact. energy: -2.084 local terms energy: -305.475775 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -77.679 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: -16.301 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: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1671.551173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.551173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.551173 (E_RNA) where: Base-Base interactions energy: -1155.436 where: short stacking energy: -471.059 Base-Backbone interact. energy: -4.816 local terms energy: -511.298611 where: bonds (distance) C4'-P energy: -100.529 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -129.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1681.323464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.323464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.323464 (E_RNA) where: Base-Base interactions energy: -1174.753 where: short stacking energy: -487.849 Base-Backbone interact. energy: 0.835 local terms energy: -507.405980 where: bonds (distance) C4'-P energy: -92.077 bonds (distance) P-C4' energy: -99.022 flat angles C4'-P-C4' energy: -106.557 flat angles P-C4'-P energy: -70.027 tors. eta vs tors. theta energy: -139.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1578.790392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.790392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.790392 (E_RNA) where: Base-Base interactions energy: -1115.502 where: short stacking energy: -458.881 Base-Backbone interact. energy: -3.093 local terms energy: -460.195117 where: bonds (distance) C4'-P energy: -92.037 bonds (distance) P-C4' energy: -95.756 flat angles C4'-P-C4' energy: -90.475 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -115.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1471.319693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.319693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.319693 (E_RNA) where: Base-Base interactions energy: -1047.011 where: short stacking energy: -437.072 Base-Backbone interact. energy: -2.804 local terms energy: -421.504516 where: bonds (distance) C4'-P energy: -78.386 bonds (distance) P-C4' energy: -73.251 flat angles C4'-P-C4' energy: -93.561 flat angles P-C4'-P energy: -61.834 tors. eta vs tors. theta energy: -114.472 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: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1393.706990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.706990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.706990 (E_RNA) where: Base-Base interactions energy: -949.584 where: short stacking energy: -395.361 Base-Backbone interact. energy: -2.494 local terms energy: -441.628989 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -88.812 flat angles C4'-P-C4' energy: -99.886 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -99.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1156.388281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.388281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.388281 (E_RNA) where: Base-Base interactions energy: -735.258 where: short stacking energy: -341.357 Base-Backbone interact. energy: -1.214 local terms energy: -419.916783 where: bonds (distance) C4'-P energy: -101.250 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -78.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1093.968525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.968525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.968525 (E_RNA) where: Base-Base interactions energy: -737.802 where: short stacking energy: -310.846 Base-Backbone interact. energy: 0.240 local terms energy: -356.405825 where: bonds (distance) C4'-P energy: -72.734 bonds (distance) P-C4' energy: -85.260 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -56.715 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: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -959.933923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.933923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.933923 (E_RNA) where: Base-Base interactions energy: -622.908 where: short stacking energy: -292.135 Base-Backbone interact. energy: -2.609 local terms energy: -334.416889 where: bonds (distance) C4'-P energy: -70.050 bonds (distance) P-C4' energy: -90.253 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -41.758 tors. eta vs tors. theta energy: -51.311 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: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -671.753834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.753834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.753834 (E_RNA) where: Base-Base interactions energy: -372.312 where: short stacking energy: -198.617 Base-Backbone interact. energy: 5.476 local terms energy: -304.917807 where: bonds (distance) C4'-P energy: -87.036 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -54.914 flat angles P-C4'-P energy: -45.042 tors. eta vs tors. theta energy: -28.362 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: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -587.024701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.024701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.024701 (E_RNA) where: Base-Base interactions energy: -311.339 where: short stacking energy: -172.808 Base-Backbone interact. energy: 2.772 local terms energy: -278.457469 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -80.092 flat angles C4'-P-C4' energy: -69.995 flat angles P-C4'-P energy: -49.537 tors. eta vs tors. theta energy: -12.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1676.112123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.112123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.112123 (E_RNA) where: Base-Base interactions energy: -1148.427 where: short stacking energy: -468.579 Base-Backbone interact. energy: -4.595 local terms energy: -523.089423 where: bonds (distance) C4'-P energy: -101.427 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -110.288 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -135.917 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: 93 Temperature: 0.950000 Total energy: -1672.411131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.411131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.411131 (E_RNA) where: Base-Base interactions energy: -1140.267 where: short stacking energy: -467.820 Base-Backbone interact. energy: -1.940 local terms energy: -530.203837 where: bonds (distance) C4'-P energy: -103.452 bonds (distance) P-C4' energy: -113.100 flat angles C4'-P-C4' energy: -111.075 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -127.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1593.851632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.851632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.851632 (E_RNA) where: Base-Base interactions energy: -1101.989 where: short stacking energy: -461.337 Base-Backbone interact. energy: -2.419 local terms energy: -489.443332 where: bonds (distance) C4'-P energy: -83.894 bonds (distance) P-C4' energy: -105.010 flat angles C4'-P-C4' energy: -92.423 flat angles P-C4'-P energy: -84.219 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: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1491.623136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.623136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.623136 (E_RNA) where: Base-Base interactions energy: -1020.669 where: short stacking energy: -457.924 Base-Backbone interact. energy: -1.109 local terms energy: -469.845310 where: bonds (distance) C4'-P energy: -88.436 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -108.131 flat angles P-C4'-P energy: -65.971 tors. eta vs tors. theta energy: -124.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1432.003233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.003233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.003233 (E_RNA) where: Base-Base interactions energy: -996.180 where: short stacking energy: -406.081 Base-Backbone interact. energy: 3.180 local terms energy: -439.003489 where: bonds (distance) C4'-P energy: -76.591 bonds (distance) P-C4' energy: -91.233 flat angles C4'-P-C4' energy: -97.140 flat angles P-C4'-P energy: -61.985 tors. eta vs tors. theta energy: -112.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1191.306563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.306563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.306563 (E_RNA) where: Base-Base interactions energy: -825.578 where: short stacking energy: -374.911 Base-Backbone interact. energy: 0.905 local terms energy: -366.633810 where: bonds (distance) C4'-P energy: -72.816 bonds (distance) P-C4' energy: -77.633 flat angles C4'-P-C4' energy: -87.365 flat angles P-C4'-P energy: -52.284 tors. eta vs tors. theta energy: -76.536 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: 93 Temperature: 1.200000 Total energy: -1150.592133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.592133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.592133 (E_RNA) where: Base-Base interactions energy: -735.195 where: short stacking energy: -351.228 Base-Backbone interact. energy: -2.390 local terms energy: -413.006620 where: bonds (distance) C4'-P energy: -82.598 bonds (distance) P-C4' energy: -96.345 flat angles C4'-P-C4' energy: -90.956 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: -91.035 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: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -933.344069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.344069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.344069 (E_RNA) where: Base-Base interactions energy: -603.853 where: short stacking energy: -267.394 Base-Backbone interact. energy: 2.140 local terms energy: -331.630844 where: bonds (distance) C4'-P energy: -84.966 bonds (distance) P-C4' energy: -75.124 flat angles C4'-P-C4' energy: -80.716 flat angles P-C4'-P energy: -43.046 tors. eta vs tors. theta energy: -47.779 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: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -692.877978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.877978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.877978 (E_RNA) where: Base-Base interactions energy: -394.010 where: short stacking energy: -210.301 Base-Backbone interact. energy: -0.585 local terms energy: -298.282601 where: bonds (distance) C4'-P energy: -85.955 bonds (distance) P-C4' energy: -75.447 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -569.243543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.243543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.243543 (E_RNA) where: Base-Base interactions energy: -286.027 where: short stacking energy: -152.076 Base-Backbone interact. energy: -1.365 local terms energy: -281.850837 where: bonds (distance) C4'-P energy: -77.712 bonds (distance) P-C4' energy: -77.466 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -11.112 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: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1692.964242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.964242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.964242 (E_RNA) where: Base-Base interactions energy: -1174.522 where: short stacking energy: -503.147 Base-Backbone interact. energy: -1.815 local terms energy: -516.626981 where: bonds (distance) C4'-P energy: -94.080 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -111.997 flat angles P-C4'-P energy: -69.305 tors. eta vs tors. theta energy: -142.796 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: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1648.273457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.273457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.273457 (E_RNA) where: Base-Base interactions energy: -1153.560 where: short stacking energy: -467.839 Base-Backbone interact. energy: 2.658 local terms energy: -497.371813 where: bonds (distance) C4'-P energy: -100.847 bonds (distance) P-C4' energy: -85.447 flat angles C4'-P-C4' energy: -105.266 flat angles P-C4'-P energy: -72.192 tors. eta vs tors. theta energy: -133.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1605.062642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.062642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.062642 (E_RNA) where: Base-Base interactions energy: -1112.746 where: short stacking energy: -462.226 Base-Backbone interact. energy: -2.261 local terms energy: -490.055977 where: bonds (distance) C4'-P energy: -91.737 bonds (distance) P-C4' energy: -103.339 flat angles C4'-P-C4' energy: -105.436 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -121.920 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: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1470.744549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.744549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.744549 (E_RNA) where: Base-Base interactions energy: -1004.865 where: short stacking energy: -449.620 Base-Backbone interact. energy: -3.670 local terms energy: -462.209835 where: bonds (distance) C4'-P energy: -96.452 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -93.464 flat angles P-C4'-P energy: -65.924 tors. eta vs tors. theta energy: -118.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1461.108249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.108249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.108249 (E_RNA) where: Base-Base interactions energy: -1016.757 where: short stacking energy: -419.563 Base-Backbone interact. energy: -1.433 local terms energy: -442.918226 where: bonds (distance) C4'-P energy: -74.289 bonds (distance) P-C4' energy: -92.339 flat angles C4'-P-C4' energy: -97.936 flat angles P-C4'-P energy: -62.631 tors. eta vs tors. theta energy: -115.724 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: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1200.586282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.586282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.586282 (E_RNA) where: Base-Base interactions energy: -816.962 where: short stacking energy: -361.394 Base-Backbone interact. energy: 0.228 local terms energy: -383.852497 where: bonds (distance) C4'-P energy: -74.239 bonds (distance) P-C4' energy: -90.445 flat angles C4'-P-C4' energy: -89.663 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -73.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1072.315384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.315384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.315384 (E_RNA) where: Base-Base interactions energy: -710.664 where: short stacking energy: -300.802 Base-Backbone interact. energy: 1.164 local terms energy: -362.815270 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -75.446 flat angles C4'-P-C4' energy: -92.612 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: -56.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -954.696474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.696474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.696474 (E_RNA) where: Base-Base interactions energy: -608.663 where: short stacking energy: -292.797 Base-Backbone interact. energy: -1.549 local terms energy: -344.484739 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -76.102 flat angles C4'-P-C4' energy: -86.353 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -49.114 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: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -710.236576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.236576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.236576 (E_RNA) where: Base-Base interactions energy: -433.750 where: short stacking energy: -214.991 Base-Backbone interact. energy: 3.561 local terms energy: -280.047336 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -69.764 flat angles P-C4'-P energy: -46.540 tors. eta vs tors. theta energy: -29.137 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: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -629.708754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.708754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.708754 (E_RNA) where: Base-Base interactions energy: -313.506 where: short stacking energy: -167.812 Base-Backbone interact. energy: -0.622 local terms energy: -315.579832 where: bonds (distance) C4'-P energy: -85.593 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -27.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1719.543865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.543865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.543865 (E_RNA) where: Base-Base interactions energy: -1182.853 where: short stacking energy: -480.659 Base-Backbone interact. energy: -3.871 local terms energy: -532.819486 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -102.829 flat angles C4'-P-C4' energy: -114.882 flat angles P-C4'-P energy: -72.578 tors. eta vs tors. theta energy: -146.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1667.319970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.319970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.319970 (E_RNA) where: Base-Base interactions energy: -1154.314 where: short stacking energy: -469.744 Base-Backbone interact. energy: 1.374 local terms energy: -514.380382 where: bonds (distance) C4'-P energy: -106.676 bonds (distance) P-C4' energy: -101.263 flat angles C4'-P-C4' energy: -113.592 flat angles P-C4'-P energy: -58.638 tors. eta vs tors. theta energy: -134.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1551.586994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.586994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.586994 (E_RNA) where: Base-Base interactions energy: -1087.831 where: short stacking energy: -446.948 Base-Backbone interact. energy: -2.330 local terms energy: -461.426131 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -85.799 flat angles C4'-P-C4' energy: -98.176 flat angles P-C4'-P energy: -61.606 tors. eta vs tors. theta energy: -120.197 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: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1480.030011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.030011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.030011 (E_RNA) where: Base-Base interactions energy: -1019.355 where: short stacking energy: -439.025 Base-Backbone interact. energy: -2.839 local terms energy: -457.835844 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -104.906 flat angles P-C4'-P energy: -69.289 tors. eta vs tors. theta energy: -122.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1345.994469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.994469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.994469 (E_RNA) where: Base-Base interactions energy: -920.568 where: short stacking energy: -383.679 Base-Backbone interact. energy: -1.133 local terms energy: -424.293505 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -84.175 flat angles C4'-P-C4' energy: -101.706 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -102.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1273.631876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.631876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.631876 (E_RNA) where: Base-Base interactions energy: -845.662 where: short stacking energy: -379.188 Base-Backbone interact. energy: 2.257 local terms energy: -430.226132 where: bonds (distance) C4'-P energy: -93.933 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -92.218 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -91.384 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: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1080.909776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.909776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.909776 (E_RNA) where: Base-Base interactions energy: -702.271 where: short stacking energy: -336.933 Base-Backbone interact. energy: -2.802 local terms energy: -375.836510 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -83.006 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -77.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -917.101878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.101878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.101878 (E_RNA) where: Base-Base interactions energy: -564.017 where: short stacking energy: -256.881 Base-Backbone interact. energy: -2.566 local terms energy: -350.518209 where: bonds (distance) C4'-P energy: -93.627 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -80.700 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -41.971 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: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -661.720145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.720145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.720145 (E_RNA) where: Base-Base interactions energy: -349.427 where: short stacking energy: -179.109 Base-Backbone interact. energy: -3.740 local terms energy: -308.553243 where: bonds (distance) C4'-P energy: -73.619 bonds (distance) P-C4' energy: -77.340 flat angles C4'-P-C4' energy: -97.911 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: -19.362 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: 10, replica: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -523.341780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.341780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.341780 (E_RNA) where: Base-Base interactions energy: -260.107 where: short stacking energy: -162.970 Base-Backbone interact. energy: 0.965 local terms energy: -264.199710 where: bonds (distance) C4'-P energy: -78.892 bonds (distance) P-C4' energy: -85.036 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1724.070383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.070383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.070383 (E_RNA) where: Base-Base interactions energy: -1201.378 where: short stacking energy: -498.744 Base-Backbone interact. energy: -5.098 local terms energy: -517.594575 where: bonds (distance) C4'-P energy: -102.603 bonds (distance) P-C4' energy: -97.479 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -74.046 tors. eta vs tors. theta energy: -137.567 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: 96 Temperature: 0.950000 Total energy: -1653.634481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.634481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.634481 (E_RNA) where: Base-Base interactions energy: -1145.156 where: short stacking energy: -448.289 Base-Backbone interact. energy: -1.721 local terms energy: -506.757371 where: bonds (distance) C4'-P energy: -103.858 bonds (distance) P-C4' energy: -99.222 flat angles C4'-P-C4' energy: -107.531 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -127.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1535.822884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.822884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.822884 (E_RNA) where: Base-Base interactions energy: -1056.094 where: short stacking energy: -451.548 Base-Backbone interact. energy: 1.632 local terms energy: -481.361105 where: bonds (distance) C4'-P energy: -88.066 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -108.602 flat angles P-C4'-P energy: -67.806 tors. eta vs tors. theta energy: -119.503 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: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1450.347692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.347692 (E_RNA) where: Base-Base interactions energy: -959.776 where: short stacking energy: -417.100 Base-Backbone interact. energy: 0.363 local terms energy: -490.934864 where: bonds (distance) C4'-P energy: -97.733 bonds (distance) P-C4' energy: -91.409 flat angles C4'-P-C4' energy: -104.207 flat angles P-C4'-P energy: -75.913 tors. eta vs tors. theta energy: -121.673 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: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1327.714765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.714765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.714765 (E_RNA) where: Base-Base interactions energy: -898.379 where: short stacking energy: -399.110 Base-Backbone interact. energy: -2.107 local terms energy: -427.228786 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -97.981 flat angles C4'-P-C4' energy: -104.103 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -88.331 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1301.201014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.201014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.201014 (E_RNA) where: Base-Base interactions energy: -902.321 where: short stacking energy: -396.625 Base-Backbone interact. energy: 2.744 local terms energy: -401.623940 where: bonds (distance) C4'-P energy: -76.464 bonds (distance) P-C4' energy: -76.412 flat angles C4'-P-C4' energy: -100.826 flat angles P-C4'-P energy: -57.055 tors. eta vs tors. theta energy: -90.868 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: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1087.406168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.406168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.406168 (E_RNA) where: Base-Base interactions energy: -725.552 where: short stacking energy: -324.521 Base-Backbone interact. energy: -3.571 local terms energy: -358.283653 where: bonds (distance) C4'-P energy: -84.341 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -79.688 flat angles P-C4'-P energy: -64.115 tors. eta vs tors. theta energy: -57.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -940.921518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.921518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.921518 (E_RNA) where: Base-Base interactions energy: -584.816 where: short stacking energy: -279.737 Base-Backbone interact. energy: -1.370 local terms energy: -354.736073 where: bonds (distance) C4'-P energy: -76.586 bonds (distance) P-C4' energy: -79.887 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -57.154 tors. eta vs tors. theta energy: -57.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -663.005420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.005420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.005420 (E_RNA) where: Base-Base interactions energy: -345.341 where: short stacking energy: -205.938 Base-Backbone interact. energy: -0.947 local terms energy: -316.716912 where: bonds (distance) C4'-P energy: -94.402 bonds (distance) P-C4' energy: -84.071 flat angles C4'-P-C4' energy: -71.598 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -24.216 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: 10, replica: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -563.250687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.250687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.250687 (E_RNA) where: Base-Base interactions energy: -292.094 where: short stacking energy: -163.713 Base-Backbone interact. energy: -1.094 local terms energy: -270.063033 where: bonds (distance) C4'-P energy: -74.589 bonds (distance) P-C4' energy: -95.674 flat angles C4'-P-C4' energy: -62.213 flat angles P-C4'-P energy: -38.802 tors. eta vs tors. theta energy: 1.214 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: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1722.321518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.321518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.321518 (E_RNA) where: Base-Base interactions energy: -1203.610 where: short stacking energy: -516.243 Base-Backbone interact. energy: -5.546 local terms energy: -513.165447 where: bonds (distance) C4'-P energy: -89.636 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -148.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1657.690622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.690622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.690622 (E_RNA) where: Base-Base interactions energy: -1157.830 where: short stacking energy: -476.484 Base-Backbone interact. energy: -1.209 local terms energy: -498.651905 where: bonds (distance) C4'-P energy: -89.167 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -105.068 flat angles P-C4'-P energy: -78.793 tors. eta vs tors. theta energy: -134.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1553.652803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.652803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.652803 (E_RNA) where: Base-Base interactions energy: -1073.440 where: short stacking energy: -470.008 Base-Backbone interact. energy: -0.679 local terms energy: -479.533996 where: bonds (distance) C4'-P energy: -88.032 bonds (distance) P-C4' energy: -102.716 flat angles C4'-P-C4' energy: -99.895 flat angles P-C4'-P energy: -64.096 tors. eta vs tors. theta energy: -124.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1472.366622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.366622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.366622 (E_RNA) where: Base-Base interactions energy: -1027.058 where: short stacking energy: -449.656 Base-Backbone interact. energy: -2.214 local terms energy: -443.093870 where: bonds (distance) C4'-P energy: -77.593 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -106.259 flat angles P-C4'-P energy: -64.933 tors. eta vs tors. theta energy: -125.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1329.185502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.185502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.185502 (E_RNA) where: Base-Base interactions energy: -887.110 where: short stacking energy: -388.480 Base-Backbone interact. energy: -2.341 local terms energy: -439.734831 where: bonds (distance) C4'-P energy: -91.944 bonds (distance) P-C4' energy: -83.412 flat angles C4'-P-C4' energy: -102.384 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -97.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1369.138989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.138989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.138989 (E_RNA) where: Base-Base interactions energy: -936.349 where: short stacking energy: -390.724 Base-Backbone interact. energy: -0.195 local terms energy: -432.594917 where: bonds (distance) C4'-P energy: -81.378 bonds (distance) P-C4' energy: -99.441 flat angles C4'-P-C4' energy: -94.095 flat angles P-C4'-P energy: -52.532 tors. eta vs tors. theta energy: -105.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1110.213771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.213771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.213771 (E_RNA) where: Base-Base interactions energy: -741.760 where: short stacking energy: -367.574 Base-Backbone interact. energy: 0.895 local terms energy: -369.348516 where: bonds (distance) C4'-P energy: -70.796 bonds (distance) P-C4' energy: -86.953 flat angles C4'-P-C4' energy: -90.770 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -74.735 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: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -961.719878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.719878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.719878 (E_RNA) where: Base-Base interactions energy: -578.069 where: short stacking energy: -272.497 Base-Backbone interact. energy: -0.913 local terms energy: -382.737871 where: bonds (distance) C4'-P energy: -91.454 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -85.626 flat angles P-C4'-P energy: -68.888 tors. eta vs tors. theta energy: -59.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -723.946107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.946107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.946107 (E_RNA) where: Base-Base interactions energy: -414.825 where: short stacking energy: -206.078 Base-Backbone interact. energy: 3.277 local terms energy: -312.397628 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -85.262 flat angles C4'-P-C4' energy: -87.441 flat angles P-C4'-P energy: -53.581 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -534.062733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.062733 (E_RNA) where: Base-Base interactions energy: -249.604 where: short stacking energy: -143.162 Base-Backbone interact. energy: 2.179 local terms energy: -286.637677 where: bonds (distance) C4'-P energy: -82.609 bonds (distance) P-C4' energy: -82.415 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1708.422186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.422186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.422186 (E_RNA) where: Base-Base interactions energy: -1169.802 where: short stacking energy: -481.806 Base-Backbone interact. energy: -1.282 local terms energy: -537.338244 where: bonds (distance) C4'-P energy: -100.546 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -79.640 tors. eta vs tors. theta energy: -139.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1630.072872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.072872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.072872 (E_RNA) where: Base-Base interactions energy: -1159.059 where: short stacking energy: -504.098 Base-Backbone interact. energy: 1.490 local terms energy: -472.503530 where: bonds (distance) C4'-P energy: -94.108 bonds (distance) P-C4' energy: -96.843 flat angles C4'-P-C4' energy: -96.193 flat angles P-C4'-P energy: -60.418 tors. eta vs tors. theta energy: -124.941 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: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1522.355854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.355854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.355854 (E_RNA) where: Base-Base interactions energy: -1048.184 where: short stacking energy: -442.009 Base-Backbone interact. energy: -3.188 local terms energy: -470.984738 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -90.001 flat angles C4'-P-C4' energy: -102.307 flat angles P-C4'-P energy: -77.080 tors. eta vs tors. theta energy: -114.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1423.547262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.547262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.547262 (E_RNA) where: Base-Base interactions energy: -945.662 where: short stacking energy: -415.481 Base-Backbone interact. energy: -2.408 local terms energy: -475.477429 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -109.625 flat angles P-C4'-P energy: -71.029 tors. eta vs tors. theta energy: -109.302 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1355.564327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.564327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.564327 (E_RNA) where: Base-Base interactions energy: -921.345 where: short stacking energy: -390.990 Base-Backbone interact. energy: 0.452 local terms energy: -434.671290 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -98.388 flat angles C4'-P-C4' energy: -95.003 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: -90.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1290.823642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.823642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.823642 (E_RNA) where: Base-Base interactions energy: -878.867 where: short stacking energy: -400.177 Base-Backbone interact. energy: -1.632 local terms energy: -410.324735 where: bonds (distance) C4'-P energy: -76.177 bonds (distance) P-C4' energy: -79.491 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -93.800 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: 98 Temperature: 1.200000 Total energy: -1081.349208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.349208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.349208 (E_RNA) where: Base-Base interactions energy: -693.511 where: short stacking energy: -319.144 Base-Backbone interact. energy: -0.687 local terms energy: -387.151802 where: bonds (distance) C4'-P energy: -85.113 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -89.727 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -81.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1008.676125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.676125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.676125 (E_RNA) where: Base-Base interactions energy: -633.037 where: short stacking energy: -291.294 Base-Backbone interact. energy: 0.232 local terms energy: -375.870284 where: bonds (distance) C4'-P energy: -97.787 bonds (distance) P-C4' energy: -79.515 flat angles C4'-P-C4' energy: -86.193 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -52.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -644.561022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.561022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.561022 (E_RNA) where: Base-Base interactions energy: -332.616 where: short stacking energy: -186.329 Base-Backbone interact. energy: 6.473 local terms energy: -318.418131 where: bonds (distance) C4'-P energy: -91.082 bonds (distance) P-C4' energy: -97.074 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -46.096 tors. eta vs tors. theta energy: -22.431 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: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -603.606485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.606485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.606485 (E_RNA) where: Base-Base interactions energy: -305.980 where: short stacking energy: -175.923 Base-Backbone interact. energy: 0.307 local terms energy: -297.933509 where: bonds (distance) C4'-P energy: -82.023 bonds (distance) P-C4' energy: -87.511 flat angles C4'-P-C4' energy: -75.440 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -4.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1696.713012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.713012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.713012 (E_RNA) where: Base-Base interactions energy: -1195.654 where: short stacking energy: -500.857 Base-Backbone interact. energy: -3.932 local terms energy: -497.127486 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -100.522 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -63.365 tors. eta vs tors. theta energy: -139.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1640.206418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.206418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.206418 (E_RNA) where: Base-Base interactions energy: -1155.845 where: short stacking energy: -490.958 Base-Backbone interact. energy: -1.397 local terms energy: -482.965054 where: bonds (distance) C4'-P energy: -92.248 bonds (distance) P-C4' energy: -94.596 flat angles C4'-P-C4' energy: -100.217 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -124.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1544.847242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.847242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.847242 (E_RNA) where: Base-Base interactions energy: -1068.736 where: short stacking energy: -467.572 Base-Backbone interact. energy: 1.647 local terms energy: -477.757859 where: bonds (distance) C4'-P energy: -105.298 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -106.454 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -125.515 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1403.300434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.300434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.300434 (E_RNA) where: Base-Base interactions energy: -950.397 where: short stacking energy: -418.928 Base-Backbone interact. energy: 1.084 local terms energy: -453.987544 where: bonds (distance) C4'-P energy: -86.101 bonds (distance) P-C4' energy: -91.874 flat angles C4'-P-C4' energy: -107.323 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -110.168 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: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1368.840271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.840271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.840271 (E_RNA) where: Base-Base interactions energy: -938.398 where: short stacking energy: -388.392 Base-Backbone interact. energy: 0.752 local terms energy: -431.193625 where: bonds (distance) C4'-P energy: -92.340 bonds (distance) P-C4' energy: -98.912 flat angles C4'-P-C4' energy: -96.818 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -97.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1289.343018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.343018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.343018 (E_RNA) where: Base-Base interactions energy: -855.045 where: short stacking energy: -391.575 Base-Backbone interact. energy: -3.396 local terms energy: -430.901568 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -88.149 flat angles C4'-P-C4' energy: -100.216 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -108.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1102.219176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.219176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.219176 (E_RNA) where: Base-Base interactions energy: -726.574 where: short stacking energy: -332.663 Base-Backbone interact. energy: -1.671 local terms energy: -373.974310 where: bonds (distance) C4'-P energy: -85.313 bonds (distance) P-C4' energy: -84.450 flat angles C4'-P-C4' energy: -89.267 flat angles P-C4'-P energy: -47.684 tors. eta vs tors. theta energy: -67.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -993.295860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.295860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.295860 (E_RNA) where: Base-Base interactions energy: -667.223 where: short stacking energy: -280.791 Base-Backbone interact. energy: 2.398 local terms energy: -328.470532 where: bonds (distance) C4'-P energy: -80.522 bonds (distance) P-C4' energy: -72.924 flat angles C4'-P-C4' energy: -75.693 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -53.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -699.227300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.227300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.227300 (E_RNA) where: Base-Base interactions energy: -374.994 where: short stacking energy: -194.858 Base-Backbone interact. energy: -3.100 local terms energy: -321.133110 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -89.586 flat angles C4'-P-C4' energy: -75.368 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -23.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -517.027598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.027598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.027598 (E_RNA) where: Base-Base interactions energy: -272.180 where: short stacking energy: -150.868 Base-Backbone interact. energy: -0.351 local terms energy: -244.496084 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -70.376 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: 4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1685.737344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.737344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.737344 (E_RNA) where: Base-Base interactions energy: -1177.025 where: short stacking energy: -473.787 Base-Backbone interact. energy: -2.592 local terms energy: -506.120339 where: bonds (distance) C4'-P energy: -91.504 bonds (distance) P-C4' energy: -101.169 flat angles C4'-P-C4' energy: -115.720 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -129.584 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: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1664.798292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.798292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.798292 (E_RNA) where: Base-Base interactions energy: -1128.880 where: short stacking energy: -486.646 Base-Backbone interact. energy: -4.517 local terms energy: -531.401435 where: bonds (distance) C4'-P energy: -94.085 bonds (distance) P-C4' energy: -95.090 flat angles C4'-P-C4' energy: -115.948 flat angles P-C4'-P energy: -79.464 tors. eta vs tors. theta energy: -146.814 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: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1580.939259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.939259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.939259 (E_RNA) where: Base-Base interactions energy: -1096.147 where: short stacking energy: -471.343 Base-Backbone interact. energy: -1.423 local terms energy: -483.369700 where: bonds (distance) C4'-P energy: -93.060 bonds (distance) P-C4' energy: -80.206 flat angles C4'-P-C4' energy: -104.691 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -135.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1404.788047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.788047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.788047 (E_RNA) where: Base-Base interactions energy: -937.815 where: short stacking energy: -417.584 Base-Backbone interact. energy: -1.838 local terms energy: -465.135189 where: bonds (distance) C4'-P energy: -99.155 bonds (distance) P-C4' energy: -95.147 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: -114.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1382.806513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.806513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.806513 (E_RNA) where: Base-Base interactions energy: -963.239 where: short stacking energy: -398.909 Base-Backbone interact. energy: 3.519 local terms energy: -423.086914 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -75.062 flat angles C4'-P-C4' energy: -107.525 flat angles P-C4'-P energy: -61.503 tors. eta vs tors. theta energy: -100.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1260.657877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.657877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.657877 (E_RNA) where: Base-Base interactions energy: -838.613 where: short stacking energy: -364.171 Base-Backbone interact. energy: -0.161 local terms energy: -421.884221 where: bonds (distance) C4'-P energy: -89.322 bonds (distance) P-C4' energy: -81.960 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -83.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1132.296289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.296289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.296289 (E_RNA) where: Base-Base interactions energy: -736.496 where: short stacking energy: -370.635 Base-Backbone interact. energy: -3.134 local terms energy: -392.666179 where: bonds (distance) C4'-P energy: -79.313 bonds (distance) P-C4' energy: -84.143 flat angles C4'-P-C4' energy: -88.719 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -87.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -979.074359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.074359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.074359 (E_RNA) where: Base-Base interactions energy: -630.550 where: short stacking energy: -269.465 Base-Backbone interact. energy: -4.085 local terms energy: -344.438939 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -81.448 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -36.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -702.201053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.201053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.201053 (E_RNA) where: Base-Base interactions energy: -417.737 where: short stacking energy: -210.760 Base-Backbone interact. energy: -1.071 local terms energy: -283.393324 where: bonds (distance) C4'-P energy: -72.274 bonds (distance) P-C4' energy: -82.429 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -36.156 tors. eta vs tors. theta energy: -11.051 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: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -570.351506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.351506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.351506 (E_RNA) where: Base-Base interactions energy: -310.431 where: short stacking energy: -163.707 Base-Backbone interact. energy: 0.904 local terms energy: -260.824133 where: bonds (distance) C4'-P energy: -62.587 bonds (distance) P-C4' energy: -77.905 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1699.417733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.417733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.417733 (E_RNA) where: Base-Base interactions energy: -1185.338 where: short stacking energy: -485.841 Base-Backbone interact. energy: -1.521 local terms energy: -512.559193 where: bonds (distance) C4'-P energy: -94.682 bonds (distance) P-C4' energy: -103.473 flat angles C4'-P-C4' energy: -108.411 flat angles P-C4'-P energy: -76.524 tors. eta vs tors. theta energy: -129.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1663.264846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.264846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.264846 (E_RNA) where: Base-Base interactions energy: -1167.102 where: short stacking energy: -480.623 Base-Backbone interact. energy: -6.731 local terms energy: -489.432633 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -92.879 flat angles C4'-P-C4' energy: -105.080 flat angles P-C4'-P energy: -69.503 tors. eta vs tors. theta energy: -142.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1590.522522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.522522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.522522 (E_RNA) where: Base-Base interactions energy: -1084.221 where: short stacking energy: -462.789 Base-Backbone interact. energy: -4.278 local terms energy: -502.024087 where: bonds (distance) C4'-P energy: -88.938 bonds (distance) P-C4' energy: -92.705 flat angles C4'-P-C4' energy: -113.012 flat angles P-C4'-P energy: -75.697 tors. eta vs tors. theta energy: -131.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1438.647155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.647155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.647155 (E_RNA) where: Base-Base interactions energy: -968.151 where: short stacking energy: -397.600 Base-Backbone interact. energy: -4.104 local terms energy: -466.392087 where: bonds (distance) C4'-P energy: -96.465 bonds (distance) P-C4' energy: -98.795 flat angles C4'-P-C4' energy: -100.799 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -107.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1402.423852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.423852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.423852 (E_RNA) where: Base-Base interactions energy: -967.912 where: short stacking energy: -426.795 Base-Backbone interact. energy: -1.513 local terms energy: -432.999040 where: bonds (distance) C4'-P energy: -89.663 bonds (distance) P-C4' energy: -82.549 flat angles C4'-P-C4' energy: -87.607 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -112.326 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: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1231.999078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.999078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.999078 (E_RNA) where: Base-Base interactions energy: -829.192 where: short stacking energy: -362.345 Base-Backbone interact. energy: -1.015 local terms energy: -401.792164 where: bonds (distance) C4'-P energy: -78.431 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -96.188 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -77.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1156.351324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.351324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.351324 (E_RNA) where: Base-Base interactions energy: -754.150 where: short stacking energy: -349.889 Base-Backbone interact. energy: -2.614 local terms energy: -399.586581 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -92.968 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -78.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -963.900970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.900970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.900970 (E_RNA) where: Base-Base interactions energy: -631.145 where: short stacking energy: -283.740 Base-Backbone interact. energy: 2.631 local terms energy: -335.386951 where: bonds (distance) C4'-P energy: -72.865 bonds (distance) P-C4' energy: -89.645 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -41.617 tors. eta vs tors. theta energy: -46.087 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: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -662.284119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.284119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.284119 (E_RNA) where: Base-Base interactions energy: -366.931 where: short stacking energy: -186.264 Base-Backbone interact. energy: 0.329 local terms energy: -295.682685 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -75.064 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -583.081107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.081107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.081107 (E_RNA) where: Base-Base interactions energy: -303.037 where: short stacking energy: -156.591 Base-Backbone interact. energy: 0.247 local terms energy: -280.290789 where: bonds (distance) C4'-P energy: -80.086 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -83.000 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1695.863797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.863797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.863797 (E_RNA) where: Base-Base interactions energy: -1179.955 where: short stacking energy: -482.727 Base-Backbone interact. energy: -1.926 local terms energy: -513.982846 where: bonds (distance) C4'-P energy: -94.403 bonds (distance) P-C4' energy: -102.530 flat angles C4'-P-C4' energy: -108.681 flat angles P-C4'-P energy: -73.160 tors. eta vs tors. theta energy: -135.209 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: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1673.730381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.730381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.730381 (E_RNA) where: Base-Base interactions energy: -1134.674 where: short stacking energy: -469.043 Base-Backbone interact. energy: -4.963 local terms energy: -534.093312 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -111.425 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -138.025 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: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1594.397153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.397153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.397153 (E_RNA) where: Base-Base interactions energy: -1108.930 where: short stacking energy: -481.585 Base-Backbone interact. energy: -3.644 local terms energy: -481.823362 where: bonds (distance) C4'-P energy: -101.565 bonds (distance) P-C4' energy: -95.349 flat angles C4'-P-C4' energy: -96.909 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -135.851 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1401.337172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.337172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.337172 (E_RNA) where: Base-Base interactions energy: -968.645 where: short stacking energy: -416.718 Base-Backbone interact. energy: 1.913 local terms energy: -434.605235 where: bonds (distance) C4'-P energy: -85.458 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: -100.412 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: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1438.374863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.374863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.374863 (E_RNA) where: Base-Base interactions energy: -984.584 where: short stacking energy: -434.000 Base-Backbone interact. energy: -1.412 local terms energy: -452.379244 where: bonds (distance) C4'-P energy: -84.755 bonds (distance) P-C4' energy: -96.902 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -124.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1234.372739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.372739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.372739 (E_RNA) where: Base-Base interactions energy: -842.451 where: short stacking energy: -370.135 Base-Backbone interact. energy: -1.378 local terms energy: -390.543625 where: bonds (distance) C4'-P energy: -85.235 bonds (distance) P-C4' energy: -77.387 flat angles C4'-P-C4' energy: -95.443 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -70.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1145.484309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.484309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.484309 (E_RNA) where: Base-Base interactions energy: -783.307 where: short stacking energy: -342.707 Base-Backbone interact. energy: -3.041 local terms energy: -359.136324 where: bonds (distance) C4'-P energy: -89.640 bonds (distance) P-C4' energy: -73.648 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: -83.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -992.586849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.586849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.586849 (E_RNA) where: Base-Base interactions energy: -681.146 where: short stacking energy: -289.933 Base-Backbone interact. energy: -1.334 local terms energy: -310.106933 where: bonds (distance) C4'-P energy: -53.382 bonds (distance) P-C4' energy: -86.339 flat angles C4'-P-C4' energy: -77.441 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -48.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -624.130477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.130477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.130477 (E_RNA) where: Base-Base interactions energy: -345.708 where: short stacking energy: -186.031 Base-Backbone interact. energy: 1.853 local terms energy: -280.275532 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -73.219 flat angles P-C4'-P energy: -31.801 tors. eta vs tors. theta energy: -18.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -622.982884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.982884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.982884 (E_RNA) where: Base-Base interactions energy: -358.287 where: short stacking energy: -186.996 Base-Backbone interact. energy: 0.634 local terms energy: -265.329484 where: bonds (distance) C4'-P energy: -71.533 bonds (distance) P-C4' energy: -90.367 flat angles C4'-P-C4' energy: -57.882 flat angles P-C4'-P energy: -30.733 tors. eta vs tors. theta energy: -14.815 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: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1712.960058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.960058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.960058 (E_RNA) where: Base-Base interactions energy: -1192.544 where: short stacking energy: -503.797 Base-Backbone interact. energy: -1.000 local terms energy: -519.415600 where: bonds (distance) C4'-P energy: -90.889 bonds (distance) P-C4' energy: -102.848 flat angles C4'-P-C4' energy: -108.045 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -140.405 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: 103 Temperature: 0.950000 Total energy: -1658.060525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.060525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.060525 (E_RNA) where: Base-Base interactions energy: -1143.514 where: short stacking energy: -497.802 Base-Backbone interact. energy: -3.725 local terms energy: -510.820735 where: bonds (distance) C4'-P energy: -90.917 bonds (distance) P-C4' energy: -94.445 flat angles C4'-P-C4' energy: -109.647 flat angles P-C4'-P energy: -71.293 tors. eta vs tors. theta energy: -144.519 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: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1582.615159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.615159 (E_RNA) where: Base-Base interactions energy: -1107.791 where: short stacking energy: -478.986 Base-Backbone interact. energy: 2.222 local terms energy: -477.046557 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -113.623 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -131.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1416.691990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.691990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.691990 (E_RNA) where: Base-Base interactions energy: -990.125 where: short stacking energy: -415.647 Base-Backbone interact. energy: 2.878 local terms energy: -429.445503 where: bonds (distance) C4'-P energy: -93.282 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -96.257 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -101.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1347.249184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.249184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.249184 (E_RNA) where: Base-Base interactions energy: -900.695 where: short stacking energy: -391.550 Base-Backbone interact. energy: -0.453 local terms energy: -446.101551 where: bonds (distance) C4'-P energy: -87.069 bonds (distance) P-C4' energy: -90.875 flat angles C4'-P-C4' energy: -99.341 flat angles P-C4'-P energy: -66.991 tors. eta vs tors. theta energy: -101.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1265.124658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.124658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.124658 (E_RNA) where: Base-Base interactions energy: -864.956 where: short stacking energy: -388.015 Base-Backbone interact. energy: 0.208 local terms energy: -400.377090 where: bonds (distance) C4'-P energy: -67.827 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -93.435 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -101.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1159.522158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.522158 (E_RNA) where: Base-Base interactions energy: -744.967 where: short stacking energy: -333.409 Base-Backbone interact. energy: -1.752 local terms energy: -412.802242 where: bonds (distance) C4'-P energy: -91.721 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -81.986 flat angles P-C4'-P energy: -59.776 tors. eta vs tors. theta energy: -76.188 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: 103 Temperature: 1.250000 Total energy: -1050.776890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.776890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.776890 (E_RNA) where: Base-Base interactions energy: -665.459 where: short stacking energy: -317.318 Base-Backbone interact. energy: 0.255 local terms energy: -385.572727 where: bonds (distance) C4'-P energy: -86.077 bonds (distance) P-C4' energy: -101.621 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -61.461 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: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -580.953650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.953650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.953650 (E_RNA) where: Base-Base interactions energy: -311.398 where: short stacking energy: -186.392 Base-Backbone interact. energy: 0.757 local terms energy: -270.313425 where: bonds (distance) C4'-P energy: -69.942 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -76.138 flat angles P-C4'-P energy: -45.755 tors. eta vs tors. theta energy: -8.802 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -585.329234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.329234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.329234 (E_RNA) where: Base-Base interactions energy: -324.585 where: short stacking energy: -186.069 Base-Backbone interact. energy: 2.826 local terms energy: -263.569804 where: bonds (distance) C4'-P energy: -66.650 bonds (distance) P-C4' energy: -96.400 flat angles C4'-P-C4' energy: -59.989 flat angles P-C4'-P energy: -30.437 tors. eta vs tors. theta energy: -10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1696.934790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.934790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.934790 (E_RNA) where: Base-Base interactions energy: -1164.967 where: short stacking energy: -510.979 Base-Backbone interact. energy: -6.729 local terms energy: -525.239008 where: bonds (distance) C4'-P energy: -92.892 bonds (distance) P-C4' energy: -105.423 flat angles C4'-P-C4' energy: -107.460 flat angles P-C4'-P energy: -75.682 tors. eta vs tors. theta energy: -143.782 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: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1641.392879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.392879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.392879 (E_RNA) where: Base-Base interactions energy: -1136.580 where: short stacking energy: -487.119 Base-Backbone interact. energy: 1.135 local terms energy: -505.947776 where: bonds (distance) C4'-P energy: -84.889 bonds (distance) P-C4' energy: -104.917 flat angles C4'-P-C4' energy: -108.203 flat angles P-C4'-P energy: -76.296 tors. eta vs tors. theta energy: -131.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1586.560951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.560951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.560951 (E_RNA) where: Base-Base interactions energy: -1100.759 where: short stacking energy: -479.060 Base-Backbone interact. energy: -2.998 local terms energy: -482.803855 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -91.794 flat angles C4'-P-C4' energy: -103.520 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -135.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1454.840419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.840419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.840419 (E_RNA) where: Base-Base interactions energy: -1017.749 where: short stacking energy: -414.473 Base-Backbone interact. energy: 2.152 local terms energy: -439.243852 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -88.327 flat angles C4'-P-C4' energy: -92.902 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -99.041 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1367.297576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.297576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.297576 (E_RNA) where: Base-Base interactions energy: -920.911 where: short stacking energy: -404.061 Base-Backbone interact. energy: -2.817 local terms energy: -443.570149 where: bonds (distance) C4'-P energy: -104.263 bonds (distance) P-C4' energy: -84.685 flat angles C4'-P-C4' energy: -96.605 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -98.903 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: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1287.872296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.872296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.872296 (E_RNA) where: Base-Base interactions energy: -869.309 where: short stacking energy: -402.753 Base-Backbone interact. energy: -0.769 local terms energy: -417.794574 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -84.457 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -99.962 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: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1134.024498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.024498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.024498 (E_RNA) where: Base-Base interactions energy: -736.863 where: short stacking energy: -377.531 Base-Backbone interact. energy: -0.270 local terms energy: -396.891521 where: bonds (distance) C4'-P energy: -65.129 bonds (distance) P-C4' energy: -97.862 flat angles C4'-P-C4' energy: -93.069 flat angles P-C4'-P energy: -40.525 tors. eta vs tors. theta energy: -100.307 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: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1020.233311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.233311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.233311 (E_RNA) where: Base-Base interactions energy: -670.527 where: short stacking energy: -303.165 Base-Backbone interact. energy: 0.330 local terms energy: -350.036165 where: bonds (distance) C4'-P energy: -81.338 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -90.518 flat angles P-C4'-P energy: -35.903 tors. eta vs tors. theta energy: -53.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -592.061170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.061170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.061170 (E_RNA) where: Base-Base interactions energy: -304.711 where: short stacking energy: -200.541 Base-Backbone interact. energy: 2.375 local terms energy: -289.725516 where: bonds (distance) C4'-P energy: -52.780 bonds (distance) P-C4' energy: -82.014 flat angles C4'-P-C4' energy: -85.766 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: -15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -571.793423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.793423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.793423 (E_RNA) where: Base-Base interactions energy: -306.098 where: short stacking energy: -197.628 Base-Backbone interact. energy: -0.692 local terms energy: -265.003172 where: bonds (distance) C4'-P energy: -60.505 bonds (distance) P-C4' energy: -78.278 flat angles C4'-P-C4' energy: -74.488 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1697.344258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.344258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.344258 (E_RNA) where: Base-Base interactions energy: -1163.073 where: short stacking energy: -492.087 Base-Backbone interact. energy: -4.333 local terms energy: -529.938495 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -104.089 flat angles C4'-P-C4' energy: -103.379 flat angles P-C4'-P energy: -72.291 tors. eta vs tors. theta energy: -144.413 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: 105 Temperature: 0.950000 Total energy: -1646.546166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.546166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.546166 (E_RNA) where: Base-Base interactions energy: -1160.837 where: short stacking energy: -480.804 Base-Backbone interact. energy: -0.607 local terms energy: -485.101996 where: bonds (distance) C4'-P energy: -89.629 bonds (distance) P-C4' energy: -102.679 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -140.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1577.212156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.212156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.212156 (E_RNA) where: Base-Base interactions energy: -1093.887 where: short stacking energy: -469.355 Base-Backbone interact. energy: -0.827 local terms energy: -482.497983 where: bonds (distance) C4'-P energy: -86.371 bonds (distance) P-C4' energy: -99.202 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -133.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1421.269551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.269551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.269551 (E_RNA) where: Base-Base interactions energy: -974.470 where: short stacking energy: -432.306 Base-Backbone interact. energy: -1.724 local terms energy: -445.075144 where: bonds (distance) C4'-P energy: -83.421 bonds (distance) P-C4' energy: -96.386 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: -115.619 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: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1439.243552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.243552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.243552 (E_RNA) where: Base-Base interactions energy: -999.483 where: short stacking energy: -423.749 Base-Backbone interact. energy: -1.669 local terms energy: -438.091503 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -91.665 flat angles C4'-P-C4' energy: -100.688 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -113.179 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: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1324.194099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.194099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.194099 (E_RNA) where: Base-Base interactions energy: -907.894 where: short stacking energy: -392.021 Base-Backbone interact. energy: -3.849 local terms energy: -412.450831 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -86.205 flat angles C4'-P-C4' energy: -96.940 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -92.044 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: 7, replica: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1106.956619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.956619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.956619 (E_RNA) where: Base-Base interactions energy: -711.742 where: short stacking energy: -328.832 Base-Backbone interact. energy: 2.399 local terms energy: -397.613312 where: bonds (distance) C4'-P energy: -87.430 bonds (distance) P-C4' energy: -89.600 flat angles C4'-P-C4' energy: -102.413 flat angles P-C4'-P energy: -50.306 tors. eta vs tors. theta energy: -67.864 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: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1066.216415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.216415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.216415 (E_RNA) where: Base-Base interactions energy: -704.866 where: short stacking energy: -331.055 Base-Backbone interact. energy: -0.671 local terms energy: -360.679953 where: bonds (distance) C4'-P energy: -78.329 bonds (distance) P-C4' energy: -82.415 flat angles C4'-P-C4' energy: -72.028 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -70.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -563.761992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.761992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.761992 (E_RNA) where: Base-Base interactions energy: -281.893 where: short stacking energy: -181.154 Base-Backbone interact. energy: 6.710 local terms energy: -288.578324 where: bonds (distance) C4'-P energy: -71.150 bonds (distance) P-C4' energy: -74.950 flat angles C4'-P-C4' energy: -76.454 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -569.442004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.442004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.442004 (E_RNA) where: Base-Base interactions energy: -307.390 where: short stacking energy: -155.060 Base-Backbone interact. energy: 2.717 local terms energy: -264.768716 where: bonds (distance) C4'-P energy: -70.055 bonds (distance) P-C4' energy: -80.720 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -31.232 tors. eta vs tors. theta energy: -8.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1712.000364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.000364 (E_RNA) where: Base-Base interactions energy: -1199.768 where: short stacking energy: -498.410 Base-Backbone interact. energy: -3.377 local terms energy: -508.855316 where: bonds (distance) C4'-P energy: -90.957 bonds (distance) P-C4' energy: -98.025 flat angles C4'-P-C4' energy: -106.880 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -139.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1657.249028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.249028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.249028 (E_RNA) where: Base-Base interactions energy: -1166.379 where: short stacking energy: -459.056 Base-Backbone interact. energy: -2.081 local terms energy: -488.788402 where: bonds (distance) C4'-P energy: -95.165 bonds (distance) P-C4' energy: -98.944 flat angles C4'-P-C4' energy: -109.605 flat angles P-C4'-P energy: -59.605 tors. eta vs tors. theta energy: -125.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1571.159058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.159058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.159058 (E_RNA) where: Base-Base interactions energy: -1080.043 where: short stacking energy: -468.856 Base-Backbone interact. energy: -1.103 local terms energy: -490.013216 where: bonds (distance) C4'-P energy: -87.570 bonds (distance) P-C4' energy: -94.120 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -77.140 tors. eta vs tors. theta energy: -122.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1443.048441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.048441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.048441 (E_RNA) where: Base-Base interactions energy: -983.165 where: short stacking energy: -427.555 Base-Backbone interact. energy: -3.264 local terms energy: -456.619499 where: bonds (distance) C4'-P energy: -75.043 bonds (distance) P-C4' energy: -88.129 flat angles C4'-P-C4' energy: -102.045 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -120.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1468.048337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.048337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.048337 (E_RNA) where: Base-Base interactions energy: -1008.604 where: short stacking energy: -411.042 Base-Backbone interact. energy: -3.084 local terms energy: -456.360235 where: bonds (distance) C4'-P energy: -89.070 bonds (distance) P-C4' energy: -97.502 flat angles C4'-P-C4' energy: -101.030 flat angles P-C4'-P energy: -57.808 tors. eta vs tors. theta energy: -110.951 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1304.101988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.101988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.101988 (E_RNA) where: Base-Base interactions energy: -886.388 where: short stacking energy: -369.101 Base-Backbone interact. energy: -4.055 local terms energy: -413.658768 where: bonds (distance) C4'-P energy: -87.423 bonds (distance) P-C4' energy: -97.198 flat angles C4'-P-C4' energy: -85.140 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -89.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1097.114200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.114200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.114200 (E_RNA) where: Base-Base interactions energy: -761.311 where: short stacking energy: -348.744 Base-Backbone interact. energy: -2.811 local terms energy: -332.992285 where: bonds (distance) C4'-P energy: -70.746 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -70.043 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -68.804 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: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1070.395607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.395607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.395607 (E_RNA) where: Base-Base interactions energy: -700.067 where: short stacking energy: -301.980 Base-Backbone interact. energy: -0.778 local terms energy: -369.550726 where: bonds (distance) C4'-P energy: -72.075 bonds (distance) P-C4' energy: -85.975 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -50.650 tors. eta vs tors. theta energy: -71.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -565.255817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.255817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.255817 (E_RNA) where: Base-Base interactions energy: -290.737 where: short stacking energy: -169.692 Base-Backbone interact. energy: -2.224 local terms energy: -272.294774 where: bonds (distance) C4'-P energy: -77.836 bonds (distance) P-C4' energy: -74.533 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -37.796 tors. eta vs tors. theta energy: 1.878 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: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -567.349147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.349147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.349147 (E_RNA) where: Base-Base interactions energy: -282.735 where: short stacking energy: -158.564 Base-Backbone interact. energy: 5.240 local terms energy: -289.854042 where: bonds (distance) C4'-P energy: -84.445 bonds (distance) P-C4' energy: -76.420 flat angles C4'-P-C4' energy: -81.468 flat angles P-C4'-P energy: -46.497 tors. eta vs tors. theta energy: -1.025 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: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1696.060484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.060484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.060484 (E_RNA) where: Base-Base interactions energy: -1182.852 where: short stacking energy: -489.084 Base-Backbone interact. energy: -1.283 local terms energy: -511.925248 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -101.454 flat angles C4'-P-C4' energy: -114.811 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -136.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1661.230848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.230848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.230848 (E_RNA) where: Base-Base interactions energy: -1140.977 where: short stacking energy: -464.682 Base-Backbone interact. energy: -0.237 local terms energy: -520.016829 where: bonds (distance) C4'-P energy: -104.824 bonds (distance) P-C4' energy: -98.145 flat angles C4'-P-C4' energy: -111.681 flat angles P-C4'-P energy: -81.946 tors. eta vs tors. theta energy: -123.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1583.737339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.737339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.737339 (E_RNA) where: Base-Base interactions energy: -1089.915 where: short stacking energy: -466.160 Base-Backbone interact. energy: -1.715 local terms energy: -492.107356 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -97.741 flat angles C4'-P-C4' energy: -98.951 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: -133.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1451.933637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.933637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.933637 (E_RNA) where: Base-Base interactions energy: -1001.491 where: short stacking energy: -423.513 Base-Backbone interact. energy: -0.731 local terms energy: -449.712155 where: bonds (distance) C4'-P energy: -76.849 bonds (distance) P-C4' energy: -101.270 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -108.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1450.464937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.464937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.464937 (E_RNA) where: Base-Base interactions energy: -1009.775 where: short stacking energy: -435.623 Base-Backbone interact. energy: -2.539 local terms energy: -438.150603 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -89.223 flat angles C4'-P-C4' energy: -101.063 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -105.951 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: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1327.418490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.418490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.418490 (E_RNA) where: Base-Base interactions energy: -879.500 where: short stacking energy: -397.261 Base-Backbone interact. energy: -0.203 local terms energy: -447.715743 where: bonds (distance) C4'-P energy: -89.017 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -95.527 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -116.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1131.511753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.511753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.511753 (E_RNA) where: Base-Base interactions energy: -764.000 where: short stacking energy: -320.569 Base-Backbone interact. energy: -4.692 local terms energy: -362.819259 where: bonds (distance) C4'-P energy: -77.261 bonds (distance) P-C4' energy: -84.542 flat angles C4'-P-C4' energy: -91.694 flat angles P-C4'-P energy: -41.294 tors. eta vs tors. theta energy: -68.028 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: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -986.259204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.259204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.259204 (E_RNA) where: Base-Base interactions energy: -626.670 where: short stacking energy: -306.637 Base-Backbone interact. energy: 0.563 local terms energy: -360.151962 where: bonds (distance) C4'-P energy: -77.046 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -94.478 flat angles P-C4'-P energy: -47.480 tors. eta vs tors. theta energy: -62.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -581.880898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.880898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.880898 (E_RNA) where: Base-Base interactions energy: -303.597 where: short stacking energy: -192.346 Base-Backbone interact. energy: -1.124 local terms energy: -277.160466 where: bonds (distance) C4'-P energy: -87.502 bonds (distance) P-C4' energy: -68.596 flat angles C4'-P-C4' energy: -78.225 flat angles P-C4'-P energy: -39.740 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -574.261135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.261135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.261135 (E_RNA) where: Base-Base interactions energy: -287.353 where: short stacking energy: -162.548 Base-Backbone interact. energy: 0.454 local terms energy: -287.361307 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -87.239 flat angles C4'-P-C4' energy: -76.808 flat angles P-C4'-P energy: -41.669 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1697.077216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.077216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.077216 (E_RNA) where: Base-Base interactions energy: -1171.320 where: short stacking energy: -502.887 Base-Backbone interact. energy: -2.783 local terms energy: -522.974675 where: bonds (distance) C4'-P energy: -100.008 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -108.034 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: -146.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1654.943709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.943709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.943709 (E_RNA) where: Base-Base interactions energy: -1177.458 where: short stacking energy: -480.759 Base-Backbone interact. energy: 0.177 local terms energy: -477.662159 where: bonds (distance) C4'-P energy: -84.261 bonds (distance) P-C4' energy: -86.688 flat angles C4'-P-C4' energy: -108.459 flat angles P-C4'-P energy: -68.666 tors. eta vs tors. theta energy: -129.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1560.478084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.478084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.478084 (E_RNA) where: Base-Base interactions energy: -1098.173 where: short stacking energy: -466.854 Base-Backbone interact. energy: -1.215 local terms energy: -461.090421 where: bonds (distance) C4'-P energy: -87.709 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -112.383 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -122.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1440.944041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.944041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.944041 (E_RNA) where: Base-Base interactions energy: -975.028 where: short stacking energy: -409.033 Base-Backbone interact. energy: 1.987 local terms energy: -467.903822 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -88.121 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -72.012 tors. eta vs tors. theta energy: -114.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1400.413028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.413028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.413028 (E_RNA) where: Base-Base interactions energy: -969.225 where: short stacking energy: -427.716 Base-Backbone interact. energy: 1.380 local terms energy: -432.568621 where: bonds (distance) C4'-P energy: -83.514 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -90.762 flat angles P-C4'-P energy: -54.354 tors. eta vs tors. theta energy: -111.224 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: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1306.024043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.024043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.024043 (E_RNA) where: Base-Base interactions energy: -871.785 where: short stacking energy: -388.218 Base-Backbone interact. energy: -2.925 local terms energy: -431.314880 where: bonds (distance) C4'-P energy: -79.049 bonds (distance) P-C4' energy: -83.756 flat angles C4'-P-C4' energy: -93.023 flat angles P-C4'-P energy: -68.101 tors. eta vs tors. theta energy: -107.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1159.854715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.854715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.854715 (E_RNA) where: Base-Base interactions energy: -760.493 where: short stacking energy: -337.914 Base-Backbone interact. energy: 3.164 local terms energy: -402.525866 where: bonds (distance) C4'-P energy: -86.675 bonds (distance) P-C4' energy: -85.632 flat angles C4'-P-C4' energy: -80.108 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -82.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -986.084307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.084307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.084307 (E_RNA) where: Base-Base interactions energy: -636.522 where: short stacking energy: -274.130 Base-Backbone interact. energy: -4.417 local terms energy: -345.145115 where: bonds (distance) C4'-P energy: -76.916 bonds (distance) P-C4' energy: -88.064 flat angles C4'-P-C4' energy: -87.039 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -55.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -585.625504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.625504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.625504 (E_RNA) where: Base-Base interactions energy: -315.457 where: short stacking energy: -171.934 Base-Backbone interact. energy: 1.400 local terms energy: -271.568274 where: bonds (distance) C4'-P energy: -91.938 bonds (distance) P-C4' energy: -59.534 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -34.907 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -524.124959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.124959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.124959 (E_RNA) where: Base-Base interactions energy: -256.805 where: short stacking energy: -143.631 Base-Backbone interact. energy: -0.161 local terms energy: -267.159313 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -72.089 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: 11.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1701.746514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.746514 (E_RNA) where: Base-Base interactions energy: -1173.804 where: short stacking energy: -491.203 Base-Backbone interact. energy: -1.705 local terms energy: -526.237337 where: bonds (distance) C4'-P energy: -102.331 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -113.048 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -137.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1666.435017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.435017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.435017 (E_RNA) where: Base-Base interactions energy: -1160.665 where: short stacking energy: -481.041 Base-Backbone interact. energy: -2.409 local terms energy: -503.361112 where: bonds (distance) C4'-P energy: -82.541 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -106.245 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: -141.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1597.600938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.600938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.600938 (E_RNA) where: Base-Base interactions energy: -1117.731 where: short stacking energy: -471.301 Base-Backbone interact. energy: -2.747 local terms energy: -477.123775 where: bonds (distance) C4'-P energy: -81.128 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -107.004 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -127.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1485.323693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.323693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.323693 (E_RNA) where: Base-Base interactions energy: -1014.950 where: short stacking energy: -443.926 Base-Backbone interact. energy: 2.468 local terms energy: -472.842435 where: bonds (distance) C4'-P energy: -88.415 bonds (distance) P-C4' energy: -93.330 flat angles C4'-P-C4' energy: -97.082 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -119.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1378.713443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.713443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.713443 (E_RNA) where: Base-Base interactions energy: -926.277 where: short stacking energy: -392.985 Base-Backbone interact. energy: -1.916 local terms energy: -450.519996 where: bonds (distance) C4'-P energy: -92.858 bonds (distance) P-C4' energy: -89.324 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -100.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1299.906471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.906471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.906471 (E_RNA) where: Base-Base interactions energy: -874.032 where: short stacking energy: -385.828 Base-Backbone interact. energy: 0.482 local terms energy: -426.356901 where: bonds (distance) C4'-P energy: -77.260 bonds (distance) P-C4' energy: -94.710 flat angles C4'-P-C4' energy: -96.182 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -99.264 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: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1238.795959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.795959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.795959 (E_RNA) where: Base-Base interactions energy: -851.800 where: short stacking energy: -368.844 Base-Backbone interact. energy: -3.221 local terms energy: -383.775115 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -85.348 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: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1005.826844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.826844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.826844 (E_RNA) where: Base-Base interactions energy: -648.038 where: short stacking energy: -323.044 Base-Backbone interact. energy: -0.687 local terms energy: -357.101392 where: bonds (distance) C4'-P energy: -77.278 bonds (distance) P-C4' energy: -77.550 flat angles C4'-P-C4' energy: -84.919 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -70.843 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: 9, replica: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -559.917267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.917267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.917267 (E_RNA) where: Base-Base interactions energy: -273.750 where: short stacking energy: -164.098 Base-Backbone interact. energy: -1.238 local terms energy: -284.929292 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -85.688 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -38.997 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -510.850061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.850061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.850061 (E_RNA) where: Base-Base interactions energy: -245.125 where: short stacking energy: -130.471 Base-Backbone interact. energy: 1.791 local terms energy: -267.515910 where: bonds (distance) C4'-P energy: -76.122 bonds (distance) P-C4' energy: -94.889 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -46.580 tors. eta vs tors. theta energy: 14.360 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: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1707.756055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.756055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.756055 (E_RNA) where: Base-Base interactions energy: -1182.374 where: short stacking energy: -491.260 Base-Backbone interact. energy: -4.637 local terms energy: -520.744760 where: bonds (distance) C4'-P energy: -96.103 bonds (distance) P-C4' energy: -99.759 flat angles C4'-P-C4' energy: -110.567 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: -139.608 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: 110 Temperature: 0.950000 Total energy: -1666.653423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.653423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.653423 (E_RNA) where: Base-Base interactions energy: -1150.323 where: short stacking energy: -487.970 Base-Backbone interact. energy: -3.180 local terms energy: -513.150541 where: bonds (distance) C4'-P energy: -94.207 bonds (distance) P-C4' energy: -104.155 flat angles C4'-P-C4' energy: -111.230 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: -135.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1558.782448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.782448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.782448 (E_RNA) where: Base-Base interactions energy: -1090.101 where: short stacking energy: -453.307 Base-Backbone interact. energy: -1.146 local terms energy: -467.534883 where: bonds (distance) C4'-P energy: -102.757 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -96.465 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -121.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1462.227744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.227744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.227744 (E_RNA) where: Base-Base interactions energy: -1001.978 where: short stacking energy: -452.488 Base-Backbone interact. energy: -1.587 local terms energy: -458.662947 where: bonds (distance) C4'-P energy: -85.298 bonds (distance) P-C4' energy: -86.747 flat angles C4'-P-C4' energy: -99.825 flat angles P-C4'-P energy: -72.930 tors. eta vs tors. theta energy: -113.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1361.645051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.645051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.645051 (E_RNA) where: Base-Base interactions energy: -947.975 where: short stacking energy: -391.610 Base-Backbone interact. energy: -4.085 local terms energy: -409.585128 where: bonds (distance) C4'-P energy: -88.972 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -91.540 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: -90.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1341.436335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.436335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.436335 (E_RNA) where: Base-Base interactions energy: -887.587 where: short stacking energy: -411.331 Base-Backbone interact. energy: -2.515 local terms energy: -451.334763 where: bonds (distance) C4'-P energy: -88.264 bonds (distance) P-C4' energy: -97.313 flat angles C4'-P-C4' energy: -84.388 flat angles P-C4'-P energy: -74.285 tors. eta vs tors. theta energy: -107.085 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: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1211.185988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.185988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.185988 (E_RNA) where: Base-Base interactions energy: -803.580 where: short stacking energy: -361.774 Base-Backbone interact. energy: 1.828 local terms energy: -409.433926 where: bonds (distance) C4'-P energy: -81.413 bonds (distance) P-C4' energy: -96.218 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: -86.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -967.804068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.804068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.804068 (E_RNA) where: Base-Base interactions energy: -618.757 where: short stacking energy: -311.175 Base-Backbone interact. energy: -1.234 local terms energy: -347.813637 where: bonds (distance) C4'-P energy: -80.757 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -74.696 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: -64.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -639.652896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.652896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.652896 (E_RNA) where: Base-Base interactions energy: -348.349 where: short stacking energy: -199.835 Base-Backbone interact. energy: -0.906 local terms energy: -290.397185 where: bonds (distance) C4'-P energy: -86.802 bonds (distance) P-C4' energy: -84.434 flat angles C4'-P-C4' energy: -69.425 flat angles P-C4'-P energy: -41.220 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -584.554682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.554682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.554682 (E_RNA) where: Base-Base interactions energy: -309.505 where: short stacking energy: -172.830 Base-Backbone interact. energy: 3.247 local terms energy: -278.296991 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1733.650511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.650511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.650511 (E_RNA) where: Base-Base interactions energy: -1198.034 where: short stacking energy: -509.873 Base-Backbone interact. energy: -2.666 local terms energy: -532.950240 where: bonds (distance) C4'-P energy: -99.340 bonds (distance) P-C4' energy: -98.848 flat angles C4'-P-C4' energy: -115.924 flat angles P-C4'-P energy: -77.984 tors. eta vs tors. theta energy: -140.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1654.075572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.075572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.075572 (E_RNA) where: Base-Base interactions energy: -1140.539 where: short stacking energy: -471.119 Base-Backbone interact. energy: -2.648 local terms energy: -510.888383 where: bonds (distance) C4'-P energy: -97.783 bonds (distance) P-C4' energy: -104.403 flat angles C4'-P-C4' energy: -107.277 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -130.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1583.398426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.398426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.398426 (E_RNA) where: Base-Base interactions energy: -1079.862 where: short stacking energy: -469.697 Base-Backbone interact. energy: 0.791 local terms energy: -504.327325 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -98.884 flat angles C4'-P-C4' energy: -109.858 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -133.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1526.173792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.173792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.173792 (E_RNA) where: Base-Base interactions energy: -1043.778 where: short stacking energy: -462.550 Base-Backbone interact. energy: -1.408 local terms energy: -480.987124 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -95.887 flat angles C4'-P-C4' energy: -109.909 flat angles P-C4'-P energy: -77.259 tors. eta vs tors. theta energy: -118.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1388.249181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.249181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.249181 (E_RNA) where: Base-Base interactions energy: -969.023 where: short stacking energy: -383.068 Base-Backbone interact. energy: 0.745 local terms energy: -419.971338 where: bonds (distance) C4'-P energy: -78.792 bonds (distance) P-C4' energy: -91.780 flat angles C4'-P-C4' energy: -103.934 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -82.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1267.058759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.058759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.058759 (E_RNA) where: Base-Base interactions energy: -860.403 where: short stacking energy: -386.769 Base-Backbone interact. energy: 3.158 local terms energy: -409.814414 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -100.211 flat angles C4'-P-C4' energy: -76.597 flat angles P-C4'-P energy: -48.315 tors. eta vs tors. theta energy: -95.043 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: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1187.450242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.450242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.450242 (E_RNA) where: Base-Base interactions energy: -796.589 where: short stacking energy: -356.015 Base-Backbone interact. energy: 0.642 local terms energy: -391.502624 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -86.654 flat angles C4'-P-C4' energy: -91.086 flat angles P-C4'-P energy: -56.528 tors. eta vs tors. theta energy: -76.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1020.701635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.701635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.701635 (E_RNA) where: Base-Base interactions energy: -631.143 where: short stacking energy: -321.110 Base-Backbone interact. energy: -1.306 local terms energy: -388.252135 where: bonds (distance) C4'-P energy: -75.795 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -95.367 flat angles P-C4'-P energy: -59.710 tors. eta vs tors. theta energy: -79.513 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: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -613.315536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.315536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.315536 (E_RNA) where: Base-Base interactions energy: -301.125 where: short stacking energy: -182.698 Base-Backbone interact. energy: 0.963 local terms energy: -313.153112 where: bonds (distance) C4'-P energy: -75.826 bonds (distance) P-C4' energy: -76.554 flat angles C4'-P-C4' energy: -87.365 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -24.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -595.229814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.229814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.229814 (E_RNA) where: Base-Base interactions energy: -314.390 where: short stacking energy: -190.952 Base-Backbone interact. energy: -1.503 local terms energy: -279.337045 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -74.635 flat angles C4'-P-C4' energy: -61.337 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1730.711305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.711305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.711305 (E_RNA) where: Base-Base interactions energy: -1186.483 where: short stacking energy: -501.787 Base-Backbone interact. energy: -4.226 local terms energy: -540.002856 where: bonds (distance) C4'-P energy: -103.837 bonds (distance) P-C4' energy: -103.153 flat angles C4'-P-C4' energy: -110.158 flat angles P-C4'-P energy: -76.571 tors. eta vs tors. theta energy: -146.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1670.622841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.622841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.622841 (E_RNA) where: Base-Base interactions energy: -1158.606 where: short stacking energy: -484.618 Base-Backbone interact. energy: -1.670 local terms energy: -510.346883 where: bonds (distance) C4'-P energy: -89.332 bonds (distance) P-C4' energy: -109.284 flat angles C4'-P-C4' energy: -108.835 flat angles P-C4'-P energy: -72.932 tors. eta vs tors. theta energy: -129.965 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: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1548.417987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.417987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.417987 (E_RNA) where: Base-Base interactions energy: -1054.201 where: short stacking energy: -491.913 Base-Backbone interact. energy: -1.623 local terms energy: -492.593634 where: bonds (distance) C4'-P energy: -92.037 bonds (distance) P-C4' energy: -99.601 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -129.970 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: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1536.860141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.860141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.860141 (E_RNA) where: Base-Base interactions energy: -1072.401 where: short stacking energy: -474.044 Base-Backbone interact. energy: -2.183 local terms energy: -462.276318 where: bonds (distance) C4'-P energy: -77.854 bonds (distance) P-C4' energy: -90.036 flat angles C4'-P-C4' energy: -100.923 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -128.368 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: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1414.443266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.443266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.443266 (E_RNA) where: Base-Base interactions energy: -974.028 where: short stacking energy: -386.934 Base-Backbone interact. energy: -1.995 local terms energy: -438.420417 where: bonds (distance) C4'-P energy: -92.457 bonds (distance) P-C4' energy: -87.893 flat angles C4'-P-C4' energy: -89.909 flat angles P-C4'-P energy: -73.153 tors. eta vs tors. theta energy: -95.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1220.801770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.801770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.801770 (E_RNA) where: Base-Base interactions energy: -789.986 where: short stacking energy: -353.490 Base-Backbone interact. energy: -1.157 local terms energy: -429.658616 where: bonds (distance) C4'-P energy: -87.243 bonds (distance) P-C4' energy: -96.338 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -86.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1173.725961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.725961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.725961 (E_RNA) where: Base-Base interactions energy: -783.451 where: short stacking energy: -338.361 Base-Backbone interact. energy: 0.066 local terms energy: -390.340025 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -94.473 flat angles C4'-P-C4' energy: -86.882 flat angles P-C4'-P energy: -60.584 tors. eta vs tors. theta energy: -63.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1036.148472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.148472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.148472 (E_RNA) where: Base-Base interactions energy: -661.184 where: short stacking energy: -298.424 Base-Backbone interact. energy: -0.728 local terms energy: -374.237308 where: bonds (distance) C4'-P energy: -87.998 bonds (distance) P-C4' energy: -86.748 flat angles C4'-P-C4' energy: -72.287 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -65.325 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: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -604.991121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.991121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.991121 (E_RNA) where: Base-Base interactions energy: -331.522 where: short stacking energy: -193.117 Base-Backbone interact. energy: -5.307 local terms energy: -268.161770 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -46.684 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -563.207523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.207523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.207523 (E_RNA) where: Base-Base interactions energy: -292.977 where: short stacking energy: -171.986 Base-Backbone interact. energy: -1.577 local terms energy: -268.653462 where: bonds (distance) C4'-P energy: -90.096 bonds (distance) P-C4' energy: -75.868 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -38.794 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1698.540943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.540943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.540943 (E_RNA) where: Base-Base interactions energy: -1192.470 where: short stacking energy: -504.927 Base-Backbone interact. energy: -1.819 local terms energy: -504.251539 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -94.721 flat angles C4'-P-C4' energy: -111.820 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -142.577 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: 113 Temperature: 0.950000 Total energy: -1669.760329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.760329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.760329 (E_RNA) where: Base-Base interactions energy: -1137.629 where: short stacking energy: -489.076 Base-Backbone interact. energy: -2.375 local terms energy: -529.755961 where: bonds (distance) C4'-P energy: -106.377 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -112.478 flat angles P-C4'-P energy: -75.698 tors. eta vs tors. theta energy: -136.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1547.796834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.796834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.796834 (E_RNA) where: Base-Base interactions energy: -1028.209 where: short stacking energy: -471.404 Base-Backbone interact. energy: -3.667 local terms energy: -515.920867 where: bonds (distance) C4'-P energy: -83.735 bonds (distance) P-C4' energy: -104.598 flat angles C4'-P-C4' energy: -116.230 flat angles P-C4'-P energy: -73.701 tors. eta vs tors. theta energy: -137.657 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: 113 Temperature: 1.050000 Total energy: -1539.639973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.639973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.639973 (E_RNA) where: Base-Base interactions energy: -1076.220 where: short stacking energy: -456.360 Base-Backbone interact. energy: -2.274 local terms energy: -461.146052 where: bonds (distance) C4'-P energy: -84.193 bonds (distance) P-C4' energy: -90.291 flat angles C4'-P-C4' energy: -99.562 flat angles P-C4'-P energy: -54.355 tors. eta vs tors. theta energy: -132.745 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: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1389.783848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.783848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.783848 (E_RNA) where: Base-Base interactions energy: -966.845 where: short stacking energy: -399.302 Base-Backbone interact. energy: -2.168 local terms energy: -420.770059 where: bonds (distance) C4'-P energy: -80.643 bonds (distance) P-C4' energy: -84.195 flat angles C4'-P-C4' energy: -90.442 flat angles P-C4'-P energy: -69.534 tors. eta vs tors. theta energy: -95.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1209.576360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.576360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.576360 (E_RNA) where: Base-Base interactions energy: -807.391 where: short stacking energy: -378.570 Base-Backbone interact. energy: -0.282 local terms energy: -401.903754 where: bonds (distance) C4'-P energy: -78.817 bonds (distance) P-C4' energy: -90.144 flat angles C4'-P-C4' energy: -90.725 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -96.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1144.807308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.807308 (E_RNA) where: Base-Base interactions energy: -765.276 where: short stacking energy: -349.268 Base-Backbone interact. energy: -2.641 local terms energy: -376.890748 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -82.222 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -73.641 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: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1048.984901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.984901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.984901 (E_RNA) where: Base-Base interactions energy: -687.833 where: short stacking energy: -308.267 Base-Backbone interact. energy: -1.234 local terms energy: -359.918069 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -90.522 flat angles C4'-P-C4' energy: -71.858 flat angles P-C4'-P energy: -50.198 tors. eta vs tors. theta energy: -69.453 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: 5 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -628.067810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.067810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.067810 (E_RNA) where: Base-Base interactions energy: -327.229 where: short stacking energy: -148.245 Base-Backbone interact. energy: 0.841 local terms energy: -301.679269 where: bonds (distance) C4'-P energy: -74.873 bonds (distance) P-C4' energy: -96.545 flat angles C4'-P-C4' energy: -79.475 flat angles P-C4'-P energy: -53.658 tors. eta vs tors. theta energy: 2.871 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: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -554.261549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.261549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.261549 (E_RNA) where: Base-Base interactions energy: -260.599 where: short stacking energy: -155.727 Base-Backbone interact. energy: -1.919 local terms energy: -291.743713 where: bonds (distance) C4'-P energy: -72.838 bonds (distance) P-C4' energy: -87.736 flat angles C4'-P-C4' energy: -85.042 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1727.641748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.641748 (E_RNA) where: Base-Base interactions energy: -1201.833 where: short stacking energy: -495.024 Base-Backbone interact. energy: -6.606 local terms energy: -519.202863 where: bonds (distance) C4'-P energy: -96.446 bonds (distance) P-C4' energy: -101.949 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -76.194 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: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1671.558293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.558293 (E_RNA) where: Base-Base interactions energy: -1145.968 where: short stacking energy: -480.220 Base-Backbone interact. energy: -1.557 local terms energy: -524.032615 where: bonds (distance) C4'-P energy: -93.158 bonds (distance) P-C4' energy: -104.461 flat angles C4'-P-C4' energy: -105.532 flat angles P-C4'-P energy: -80.184 tors. eta vs tors. theta energy: -140.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1576.273225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.273225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.273225 (E_RNA) where: Base-Base interactions energy: -1081.852 where: short stacking energy: -481.023 Base-Backbone interact. energy: -3.172 local terms energy: -491.249884 where: bonds (distance) C4'-P energy: -86.855 bonds (distance) P-C4' energy: -91.639 flat angles C4'-P-C4' energy: -113.207 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -128.845 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: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1509.780418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.780418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.780418 (E_RNA) where: Base-Base interactions energy: -1036.398 where: short stacking energy: -446.616 Base-Backbone interact. energy: -2.117 local terms energy: -471.265439 where: bonds (distance) C4'-P energy: -93.897 bonds (distance) P-C4' energy: -78.618 flat angles C4'-P-C4' energy: -113.722 flat angles P-C4'-P energy: -59.706 tors. eta vs tors. theta energy: -125.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1414.848983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.848983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.848983 (E_RNA) where: Base-Base interactions energy: -967.856 where: short stacking energy: -406.977 Base-Backbone interact. energy: -3.379 local terms energy: -443.613916 where: bonds (distance) C4'-P energy: -95.991 bonds (distance) P-C4' energy: -90.496 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -104.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1242.619769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.619769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.619769 (E_RNA) where: Base-Base interactions energy: -825.492 where: short stacking energy: -370.105 Base-Backbone interact. energy: -2.057 local terms energy: -415.070398 where: bonds (distance) C4'-P energy: -83.348 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -88.152 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -89.663 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: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1167.966381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.966381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.966381 (E_RNA) where: Base-Base interactions energy: -754.756 where: short stacking energy: -333.617 Base-Backbone interact. energy: 1.022 local terms energy: -414.231942 where: bonds (distance) C4'-P energy: -89.891 bonds (distance) P-C4' energy: -85.805 flat angles C4'-P-C4' energy: -95.328 flat angles P-C4'-P energy: -54.475 tors. eta vs tors. theta energy: -88.733 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: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1032.347258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.347258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.347258 (E_RNA) where: Base-Base interactions energy: -689.802 where: short stacking energy: -304.021 Base-Backbone interact. energy: 1.604 local terms energy: -344.148580 where: bonds (distance) C4'-P energy: -67.320 bonds (distance) P-C4' energy: -72.268 flat angles C4'-P-C4' energy: -81.423 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -73.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -605.047587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.047587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.047587 (E_RNA) where: Base-Base interactions energy: -317.889 where: short stacking energy: -189.196 Base-Backbone interact. energy: -0.512 local terms energy: -286.646722 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -88.307 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -31.459 tors. eta vs tors. theta energy: -16.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -548.753318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.753318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.753318 (E_RNA) where: Base-Base interactions energy: -273.659 where: short stacking energy: -183.485 Base-Backbone interact. energy: -0.563 local terms energy: -274.531767 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -72.345 flat angles P-C4'-P energy: -35.749 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1716.335036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.335036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.335036 (E_RNA) where: Base-Base interactions energy: -1201.014 where: short stacking energy: -485.296 Base-Backbone interact. energy: -4.451 local terms energy: -510.869813 where: bonds (distance) C4'-P energy: -90.141 bonds (distance) P-C4' energy: -105.938 flat angles C4'-P-C4' energy: -111.836 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: -141.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1632.140361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.140361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.140361 (E_RNA) where: Base-Base interactions energy: -1137.763 where: short stacking energy: -514.964 Base-Backbone interact. energy: -0.621 local terms energy: -493.756354 where: bonds (distance) C4'-P energy: -93.207 bonds (distance) P-C4' energy: -85.293 flat angles C4'-P-C4' energy: -100.423 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -146.810 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: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1638.603973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.603973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.603973 (E_RNA) where: Base-Base interactions energy: -1139.328 where: short stacking energy: -465.305 Base-Backbone interact. energy: -1.219 local terms energy: -498.056515 where: bonds (distance) C4'-P energy: -96.173 bonds (distance) P-C4' energy: -99.645 flat angles C4'-P-C4' energy: -98.839 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -137.093 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: 115 Temperature: 1.050000 Total energy: -1520.595211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.595211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.595211 (E_RNA) where: Base-Base interactions energy: -1044.332 where: short stacking energy: -454.422 Base-Backbone interact. energy: -3.018 local terms energy: -473.245674 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -105.395 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -136.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1417.744144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.744144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.744144 (E_RNA) where: Base-Base interactions energy: -977.639 where: short stacking energy: -403.807 Base-Backbone interact. energy: -4.558 local terms energy: -435.546790 where: bonds (distance) C4'-P energy: -79.835 bonds (distance) P-C4' energy: -87.459 flat angles C4'-P-C4' energy: -98.826 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -106.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1282.088961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.088961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.088961 (E_RNA) where: Base-Base interactions energy: -840.231 where: short stacking energy: -379.611 Base-Backbone interact. energy: -0.891 local terms energy: -440.967710 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -93.813 flat angles C4'-P-C4' energy: -90.097 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -112.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1085.451499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.451499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.451499 (E_RNA) where: Base-Base interactions energy: -716.299 where: short stacking energy: -336.917 Base-Backbone interact. energy: -0.721 local terms energy: -368.431001 where: bonds (distance) C4'-P energy: -79.244 bonds (distance) P-C4' energy: -67.657 flat angles C4'-P-C4' energy: -81.231 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -88.368 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: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1056.785542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.785542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.785542 (E_RNA) where: Base-Base interactions energy: -677.304 where: short stacking energy: -310.833 Base-Backbone interact. energy: 0.245 local terms energy: -379.726712 where: bonds (distance) C4'-P energy: -90.247 bonds (distance) P-C4' energy: -83.452 flat angles C4'-P-C4' energy: -85.361 flat angles P-C4'-P energy: -58.260 tors. eta vs tors. theta energy: -62.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -612.283575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.283575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.283575 (E_RNA) where: Base-Base interactions energy: -327.476 where: short stacking energy: -201.226 Base-Backbone interact. energy: -1.620 local terms energy: -283.187446 where: bonds (distance) C4'-P energy: -77.176 bonds (distance) P-C4' energy: -89.598 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -548.291834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.291834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.291834 (E_RNA) where: Base-Base interactions energy: -282.514 where: short stacking energy: -171.328 Base-Backbone interact. energy: -0.792 local terms energy: -264.985814 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -61.540 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -8.419 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: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1705.618935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.618935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.618935 (E_RNA) where: Base-Base interactions energy: -1180.520 where: short stacking energy: -485.508 Base-Backbone interact. energy: -4.741 local terms energy: -520.358377 where: bonds (distance) C4'-P energy: -102.117 bonds (distance) P-C4' energy: -102.051 flat angles C4'-P-C4' energy: -101.705 flat angles P-C4'-P energy: -77.923 tors. eta vs tors. theta energy: -136.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1674.026085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.026085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.026085 (E_RNA) where: Base-Base interactions energy: -1132.581 where: short stacking energy: -529.866 Base-Backbone interact. energy: -1.177 local terms energy: -540.268125 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -91.492 flat angles C4'-P-C4' energy: -111.035 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -153.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1610.383266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.383266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.383266 (E_RNA) where: Base-Base interactions energy: -1126.711 where: short stacking energy: -492.361 Base-Backbone interact. energy: -2.558 local terms energy: -481.114802 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -87.136 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -58.818 tors. eta vs tors. theta energy: -137.677 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: 116 Temperature: 1.050000 Total energy: -1477.766484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.766484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.766484 (E_RNA) where: Base-Base interactions energy: -1015.135 where: short stacking energy: -445.553 Base-Backbone interact. energy: -3.027 local terms energy: -459.605171 where: bonds (distance) C4'-P energy: -83.835 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -126.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1395.636425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.636425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.636425 (E_RNA) where: Base-Base interactions energy: -973.276 where: short stacking energy: -403.509 Base-Backbone interact. energy: -2.552 local terms energy: -419.808721 where: bonds (distance) C4'-P energy: -75.971 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -69.231 tors. eta vs tors. theta energy: -106.722 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: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1323.227050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.227050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.227050 (E_RNA) where: Base-Base interactions energy: -878.170 where: short stacking energy: -404.605 Base-Backbone interact. energy: 1.927 local terms energy: -446.984141 where: bonds (distance) C4'-P energy: -88.508 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -98.088 flat angles P-C4'-P energy: -66.875 tors. eta vs tors. theta energy: -100.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1150.454990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.454990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.454990 (E_RNA) where: Base-Base interactions energy: -756.964 where: short stacking energy: -355.625 Base-Backbone interact. energy: -1.260 local terms energy: -392.230692 where: bonds (distance) C4'-P energy: -83.677 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -98.717 flat angles P-C4'-P energy: -50.558 tors. eta vs tors. theta energy: -82.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -938.538555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.538555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.538555 (E_RNA) where: Base-Base interactions energy: -572.219 where: short stacking energy: -273.366 Base-Backbone interact. energy: -4.619 local terms energy: -361.700539 where: bonds (distance) C4'-P energy: -83.619 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -83.910 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -51.148 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: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -759.472866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.472866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.472866 (E_RNA) where: Base-Base interactions energy: -442.609 where: short stacking energy: -239.133 Base-Backbone interact. energy: -5.096 local terms energy: -311.768352 where: bonds (distance) C4'-P energy: -79.592 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -72.777 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -25.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -520.818081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.818081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.818081 (E_RNA) where: Base-Base interactions energy: -257.024 where: short stacking energy: -157.307 Base-Backbone interact. energy: -0.217 local terms energy: -263.577159 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -80.430 flat angles C4'-P-C4' energy: -69.072 flat angles P-C4'-P energy: -40.493 tors. eta vs tors. theta energy: -7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1729.192722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.192722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.192722 (E_RNA) where: Base-Base interactions energy: -1194.696 where: short stacking energy: -493.799 Base-Backbone interact. energy: -3.160 local terms energy: -531.336574 where: bonds (distance) C4'-P energy: -107.497 bonds (distance) P-C4' energy: -100.076 flat angles C4'-P-C4' energy: -115.732 flat angles P-C4'-P energy: -70.646 tors. eta vs tors. theta energy: -137.385 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: 117 Temperature: 0.950000 Total energy: -1680.615931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.615931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.615931 (E_RNA) where: Base-Base interactions energy: -1174.701 where: short stacking energy: -490.402 Base-Backbone interact. energy: 0.851 local terms energy: -506.765913 where: bonds (distance) C4'-P energy: -96.692 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -105.728 flat angles P-C4'-P energy: -69.913 tors. eta vs tors. theta energy: -142.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1628.596299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.596299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.596299 (E_RNA) where: Base-Base interactions energy: -1129.093 where: short stacking energy: -512.094 Base-Backbone interact. energy: -1.281 local terms energy: -498.222534 where: bonds (distance) C4'-P energy: -84.485 bonds (distance) P-C4' energy: -92.771 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -63.262 tors. eta vs tors. theta energy: -152.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1477.606262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.606262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.606262 (E_RNA) where: Base-Base interactions energy: -1034.209 where: short stacking energy: -430.965 Base-Backbone interact. energy: -0.457 local terms energy: -442.940415 where: bonds (distance) C4'-P energy: -72.514 bonds (distance) P-C4' energy: -94.795 flat angles C4'-P-C4' energy: -98.158 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -115.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1378.281810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.281810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.281810 (E_RNA) where: Base-Base interactions energy: -923.833 where: short stacking energy: -372.321 Base-Backbone interact. energy: -4.171 local terms energy: -450.278155 where: bonds (distance) C4'-P energy: -92.945 bonds (distance) P-C4' energy: -90.880 flat angles C4'-P-C4' energy: -99.548 flat angles P-C4'-P energy: -63.852 tors. eta vs tors. theta energy: -103.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1210.592967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.592967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.592967 (E_RNA) where: Base-Base interactions energy: -786.061 where: short stacking energy: -364.232 Base-Backbone interact. energy: -1.888 local terms energy: -422.644463 where: bonds (distance) C4'-P energy: -85.386 bonds (distance) P-C4' energy: -83.703 flat angles C4'-P-C4' energy: -92.945 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -92.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1229.596677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.596677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.596677 (E_RNA) where: Base-Base interactions energy: -805.245 where: short stacking energy: -389.745 Base-Backbone interact. energy: -1.953 local terms energy: -422.399447 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -88.009 flat angles C4'-P-C4' energy: -96.405 flat angles P-C4'-P energy: -57.389 tors. eta vs tors. theta energy: -97.995 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: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -986.444035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.444035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.444035 (E_RNA) where: Base-Base interactions energy: -619.966 where: short stacking energy: -294.735 Base-Backbone interact. energy: -3.460 local terms energy: -363.017998 where: bonds (distance) C4'-P energy: -86.654 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -87.126 flat angles P-C4'-P energy: -50.469 tors. eta vs tors. theta energy: -63.039 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: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -707.497273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.497273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.497273 (E_RNA) where: Base-Base interactions energy: -397.150 where: short stacking energy: -211.872 Base-Backbone interact. energy: 4.018 local terms energy: -314.365664 where: bonds (distance) C4'-P energy: -75.442 bonds (distance) P-C4' energy: -91.820 flat angles C4'-P-C4' energy: -79.678 flat angles P-C4'-P energy: -29.434 tors. eta vs tors. theta energy: -37.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -544.902860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.902860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.902860 (E_RNA) where: Base-Base interactions energy: -272.845 where: short stacking energy: -174.661 Base-Backbone interact. energy: -1.736 local terms energy: -270.322826 where: bonds (distance) C4'-P energy: -65.829 bonds (distance) P-C4' energy: -86.680 flat angles C4'-P-C4' energy: -78.791 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: 3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1707.467396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.467396 (E_RNA) where: Base-Base interactions energy: -1209.376 where: short stacking energy: -496.973 Base-Backbone interact. energy: -2.176 local terms energy: -495.915733 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -97.874 flat angles C4'-P-C4' energy: -107.383 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -135.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1688.032497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.032497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.032497 (E_RNA) where: Base-Base interactions energy: -1181.606 where: short stacking energy: -495.765 Base-Backbone interact. energy: -5.061 local terms energy: -501.365165 where: bonds (distance) C4'-P energy: -91.003 bonds (distance) P-C4' energy: -100.863 flat angles C4'-P-C4' energy: -107.063 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -134.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1651.779052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.779052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.779052 (E_RNA) where: Base-Base interactions energy: -1130.301 where: short stacking energy: -518.063 Base-Backbone interact. energy: -1.959 local terms energy: -519.519210 where: bonds (distance) C4'-P energy: -97.310 bonds (distance) P-C4' energy: -89.485 flat angles C4'-P-C4' energy: -104.540 flat angles P-C4'-P energy: -74.753 tors. eta vs tors. theta energy: -153.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1471.205154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.205154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.205154 (E_RNA) where: Base-Base interactions energy: -1006.989 where: short stacking energy: -421.094 Base-Backbone interact. energy: -3.999 local terms energy: -460.216707 where: bonds (distance) C4'-P energy: -89.742 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -101.885 flat angles P-C4'-P energy: -64.556 tors. eta vs tors. theta energy: -114.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1413.154025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.154025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.154025 (E_RNA) where: Base-Base interactions energy: -963.654 where: short stacking energy: -399.841 Base-Backbone interact. energy: -2.969 local terms energy: -446.530495 where: bonds (distance) C4'-P energy: -81.907 bonds (distance) P-C4' energy: -89.170 flat angles C4'-P-C4' energy: -106.635 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -102.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1227.933655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.933655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.933655 (E_RNA) where: Base-Base interactions energy: -806.866 where: short stacking energy: -379.048 Base-Backbone interact. energy: -2.911 local terms energy: -418.156700 where: bonds (distance) C4'-P energy: -80.105 bonds (distance) P-C4' energy: -95.177 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -67.024 tors. eta vs tors. theta energy: -86.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1269.038330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.038330 (E_RNA) where: Base-Base interactions energy: -858.254 where: short stacking energy: -374.876 Base-Backbone interact. energy: 8.384 local terms energy: -419.169037 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -80.818 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -73.112 tors. eta vs tors. theta energy: -87.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -933.212640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.212640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.212640 (E_RNA) where: Base-Base interactions energy: -585.601 where: short stacking energy: -274.298 Base-Backbone interact. energy: 1.231 local terms energy: -348.842601 where: bonds (distance) C4'-P energy: -85.453 bonds (distance) P-C4' energy: -75.875 flat angles C4'-P-C4' energy: -86.942 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -50.524 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: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -721.379407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.379407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.379407 (E_RNA) where: Base-Base interactions energy: -397.623 where: short stacking energy: -190.530 Base-Backbone interact. energy: 0.294 local terms energy: -324.049917 where: bonds (distance) C4'-P energy: -82.776 bonds (distance) P-C4' energy: -76.479 flat angles C4'-P-C4' energy: -85.646 flat angles P-C4'-P energy: -62.029 tors. eta vs tors. theta energy: -17.121 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: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -539.474563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.474563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.474563 (E_RNA) where: Base-Base interactions energy: -273.896 where: short stacking energy: -146.592 Base-Backbone interact. energy: 2.325 local terms energy: -267.903071 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -62.520 flat angles P-C4'-P energy: -37.763 tors. eta vs tors. theta energy: 4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1715.869572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.869572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.869572 (E_RNA) where: Base-Base interactions energy: -1207.526 where: short stacking energy: -497.389 Base-Backbone interact. energy: -3.327 local terms energy: -505.016827 where: bonds (distance) C4'-P energy: -91.165 bonds (distance) P-C4' energy: -86.717 flat angles C4'-P-C4' energy: -111.834 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -145.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1687.175773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.175773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.175773 (E_RNA) where: Base-Base interactions energy: -1156.664 where: short stacking energy: -480.716 Base-Backbone interact. energy: -4.819 local terms energy: -525.693429 where: bonds (distance) C4'-P energy: -110.779 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -113.510 flat angles P-C4'-P energy: -70.196 tors. eta vs tors. theta energy: -134.918 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: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1651.353609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.353609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.353609 (E_RNA) where: Base-Base interactions energy: -1122.927 where: short stacking energy: -513.445 Base-Backbone interact. energy: -0.722 local terms energy: -527.705067 where: bonds (distance) C4'-P energy: -93.420 bonds (distance) P-C4' energy: -102.654 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -68.068 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: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1504.842851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.842851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.842851 (E_RNA) where: Base-Base interactions energy: -1025.845 where: short stacking energy: -466.807 Base-Backbone interact. energy: -1.415 local terms energy: -477.582573 where: bonds (distance) C4'-P energy: -92.757 bonds (distance) P-C4' energy: -100.471 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: -132.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1444.284094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.284094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.284094 (E_RNA) where: Base-Base interactions energy: -1005.849 where: short stacking energy: -400.021 Base-Backbone interact. energy: -3.409 local terms energy: -435.025705 where: bonds (distance) C4'-P energy: -102.898 bonds (distance) P-C4' energy: -80.474 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -107.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1277.732885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.732885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.732885 (E_RNA) where: Base-Base interactions energy: -848.441 where: short stacking energy: -408.108 Base-Backbone interact. energy: -2.392 local terms energy: -426.899158 where: bonds (distance) C4'-P energy: -85.942 bonds (distance) P-C4' energy: -91.018 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: -105.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1165.864835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.864835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.864835 (E_RNA) where: Base-Base interactions energy: -753.728 where: short stacking energy: -326.063 Base-Backbone interact. energy: 0.103 local terms energy: -412.239670 where: bonds (distance) C4'-P energy: -86.421 bonds (distance) P-C4' energy: -92.990 flat angles C4'-P-C4' energy: -80.218 flat angles P-C4'-P energy: -65.049 tors. eta vs tors. theta energy: -87.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -976.761506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.761506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.761506 (E_RNA) where: Base-Base interactions energy: -633.797 where: short stacking energy: -303.441 Base-Backbone interact. energy: -1.390 local terms energy: -341.574134 where: bonds (distance) C4'-P energy: -73.642 bonds (distance) P-C4' energy: -73.218 flat angles C4'-P-C4' energy: -87.004 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -65.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -713.960431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.960431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.960431 (E_RNA) where: Base-Base interactions energy: -423.470 where: short stacking energy: -201.886 Base-Backbone interact. energy: -1.872 local terms energy: -288.618804 where: bonds (distance) C4'-P energy: -85.343 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -82.466 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -19.274 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: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -532.521005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.521005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.521005 (E_RNA) where: Base-Base interactions energy: -279.373 where: short stacking energy: -170.600 Base-Backbone interact. energy: -1.275 local terms energy: -251.873336 where: bonds (distance) C4'-P energy: -67.138 bonds (distance) P-C4' energy: -75.850 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -25.549 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1719.722521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.722521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.722521 (E_RNA) where: Base-Base interactions energy: -1189.343 where: short stacking energy: -460.439 Base-Backbone interact. energy: -3.555 local terms energy: -526.824476 where: bonds (distance) C4'-P energy: -103.181 bonds (distance) P-C4' energy: -94.913 flat angles C4'-P-C4' energy: -115.337 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -136.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1659.609421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.609421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.609421 (E_RNA) where: Base-Base interactions energy: -1165.894 where: short stacking energy: -480.744 Base-Backbone interact. energy: -3.578 local terms energy: -490.137436 where: bonds (distance) C4'-P energy: -107.158 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: -129.347 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: 120 Temperature: 1.000000 Total energy: -1631.034437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.034437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.034437 (E_RNA) where: Base-Base interactions energy: -1125.193 where: short stacking energy: -490.025 Base-Backbone interact. energy: -1.588 local terms energy: -504.253788 where: bonds (distance) C4'-P energy: -88.182 bonds (distance) P-C4' energy: -82.601 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -74.063 tors. eta vs tors. theta energy: -151.870 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: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1498.627911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.627911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.627911 (E_RNA) where: Base-Base interactions energy: -1018.799 where: short stacking energy: -434.528 Base-Backbone interact. energy: -0.859 local terms energy: -478.969940 where: bonds (distance) C4'-P energy: -84.836 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -110.007 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: -112.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1427.333787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.333787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.333787 (E_RNA) where: Base-Base interactions energy: -989.844 where: short stacking energy: -423.484 Base-Backbone interact. energy: -1.782 local terms energy: -435.707525 where: bonds (distance) C4'-P energy: -80.520 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -83.692 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: -104.858 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: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1258.784391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.784391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.784391 (E_RNA) where: Base-Base interactions energy: -834.086 where: short stacking energy: -393.551 Base-Backbone interact. energy: -1.437 local terms energy: -423.261635 where: bonds (distance) C4'-P energy: -87.961 bonds (distance) P-C4' energy: -86.070 flat angles C4'-P-C4' energy: -82.039 flat angles P-C4'-P energy: -65.173 tors. eta vs tors. theta energy: -102.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1208.651395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.651395 (E_RNA) where: Base-Base interactions energy: -810.213 where: short stacking energy: -333.735 Base-Backbone interact. energy: 4.352 local terms energy: -402.790842 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -89.680 flat angles C4'-P-C4' energy: -86.423 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -79.920 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -971.330449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.330449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.330449 (E_RNA) where: Base-Base interactions energy: -608.873 where: short stacking energy: -267.026 Base-Backbone interact. energy: -1.081 local terms energy: -361.376915 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -74.835 flat angles C4'-P-C4' energy: -67.342 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -58.073 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: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -722.524798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.524798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.524798 (E_RNA) where: Base-Base interactions energy: -425.554 where: short stacking energy: -221.917 Base-Backbone interact. energy: -0.746 local terms energy: -296.224702 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -46.275 tors. eta vs tors. theta energy: -37.186 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: 10, replica: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -568.726518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.726518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.726518 (E_RNA) where: Base-Base interactions energy: -280.749 where: short stacking energy: -141.564 Base-Backbone interact. energy: 6.880 local terms energy: -294.857933 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -75.472 flat angles C4'-P-C4' energy: -80.484 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -15.679 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1708.489824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.489824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.489824 (E_RNA) where: Base-Base interactions energy: -1190.874 where: short stacking energy: -491.010 Base-Backbone interact. energy: -0.806 local terms energy: -516.810244 where: bonds (distance) C4'-P energy: -101.904 bonds (distance) P-C4' energy: -94.235 flat angles C4'-P-C4' energy: -107.228 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -141.806 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: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1647.891517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.891517 (E_RNA) where: Base-Base interactions energy: -1150.294 where: short stacking energy: -470.229 Base-Backbone interact. energy: -3.066 local terms energy: -494.531937 where: bonds (distance) C4'-P energy: -100.375 bonds (distance) P-C4' energy: -105.492 flat angles C4'-P-C4' energy: -98.686 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -115.980 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: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1617.449628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.449628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.449628 (E_RNA) where: Base-Base interactions energy: -1125.849 where: short stacking energy: -483.235 Base-Backbone interact. energy: -2.216 local terms energy: -489.385171 where: bonds (distance) C4'-P energy: -85.712 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -108.761 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -133.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1500.118975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.118975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.118975 (E_RNA) where: Base-Base interactions energy: -1046.131 where: short stacking energy: -456.909 Base-Backbone interact. energy: -2.474 local terms energy: -451.514057 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -101.671 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -131.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1409.566369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.566369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.566369 (E_RNA) where: Base-Base interactions energy: -983.972 where: short stacking energy: -414.479 Base-Backbone interact. energy: -2.339 local terms energy: -423.255921 where: bonds (distance) C4'-P energy: -80.073 bonds (distance) P-C4' energy: -80.261 flat angles C4'-P-C4' energy: -93.120 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -103.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1289.281869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.281869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.281869 (E_RNA) where: Base-Base interactions energy: -850.825 where: short stacking energy: -383.988 Base-Backbone interact. energy: -1.587 local terms energy: -436.869809 where: bonds (distance) C4'-P energy: -93.958 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -63.461 tors. eta vs tors. theta energy: -100.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1189.678106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.678106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.678106 (E_RNA) where: Base-Base interactions energy: -791.800 where: short stacking energy: -337.834 Base-Backbone interact. energy: 7.067 local terms energy: -404.945936 where: bonds (distance) C4'-P energy: -81.540 bonds (distance) P-C4' energy: -78.251 flat angles C4'-P-C4' energy: -94.289 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -89.452 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: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -955.907962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.907962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.907962 (E_RNA) where: Base-Base interactions energy: -597.550 where: short stacking energy: -260.379 Base-Backbone interact. energy: -2.238 local terms energy: -356.120023 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -54.333 tors. eta vs tors. theta energy: -54.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -739.633302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.633302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.633302 (E_RNA) where: Base-Base interactions energy: -420.315 where: short stacking energy: -188.439 Base-Backbone interact. energy: -0.798 local terms energy: -318.520173 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -77.759 flat angles C4'-P-C4' energy: -74.948 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -22.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -553.289543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.289543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.289543 (E_RNA) where: Base-Base interactions energy: -286.643 where: short stacking energy: -187.971 Base-Backbone interact. energy: -1.057 local terms energy: -265.589077 where: bonds (distance) C4'-P energy: -79.556 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -53.156 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: -18.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1706.964821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.964821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.964821 (E_RNA) where: Base-Base interactions energy: -1191.465 where: short stacking energy: -490.808 Base-Backbone interact. energy: -2.523 local terms energy: -512.976631 where: bonds (distance) C4'-P energy: -87.268 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -110.636 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -140.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1677.212024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.212024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.212024 (E_RNA) where: Base-Base interactions energy: -1171.452 where: short stacking energy: -499.281 Base-Backbone interact. energy: -5.026 local terms energy: -500.733235 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -86.397 flat angles C4'-P-C4' energy: -107.818 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -133.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1642.973139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.973139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.973139 (E_RNA) where: Base-Base interactions energy: -1139.348 where: short stacking energy: -506.112 Base-Backbone interact. energy: -0.752 local terms energy: -502.873345 where: bonds (distance) C4'-P energy: -83.740 bonds (distance) P-C4' energy: -92.878 flat angles C4'-P-C4' energy: -108.961 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -141.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1538.201175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.201175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.201175 (E_RNA) where: Base-Base interactions energy: -1055.425 where: short stacking energy: -468.152 Base-Backbone interact. energy: -2.926 local terms energy: -479.850128 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -107.469 flat angles P-C4'-P energy: -69.402 tors. eta vs tors. theta energy: -128.402 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: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1403.688148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.688148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.688148 (E_RNA) where: Base-Base interactions energy: -960.595 where: short stacking energy: -404.616 Base-Backbone interact. energy: -1.852 local terms energy: -441.241058 where: bonds (distance) C4'-P energy: -86.443 bonds (distance) P-C4' energy: -94.900 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -96.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1279.706573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.706573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.706573 (E_RNA) where: Base-Base interactions energy: -823.732 where: short stacking energy: -366.543 Base-Backbone interact. energy: -4.570 local terms energy: -451.405045 where: bonds (distance) C4'-P energy: -94.894 bonds (distance) P-C4' energy: -91.581 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -72.663 tors. eta vs tors. theta energy: -90.455 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: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1199.443345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.443345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.443345 (E_RNA) where: Base-Base interactions energy: -815.891 where: short stacking energy: -361.361 Base-Backbone interact. energy: -0.411 local terms energy: -383.141769 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -85.632 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -86.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1002.099090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.099090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.099090 (E_RNA) where: Base-Base interactions energy: -618.582 where: short stacking energy: -291.134 Base-Backbone interact. energy: -2.612 local terms energy: -380.905844 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -91.642 flat angles C4'-P-C4' energy: -98.970 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -67.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -755.650187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.650187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.650187 (E_RNA) where: Base-Base interactions energy: -417.248 where: short stacking energy: -234.489 Base-Backbone interact. energy: 1.505 local terms energy: -339.907582 where: bonds (distance) C4'-P energy: -85.948 bonds (distance) P-C4' energy: -87.235 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -44.221 tors. eta vs tors. theta energy: -42.427 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: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -525.094927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.094927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.094927 (E_RNA) where: Base-Base interactions energy: -246.209 where: short stacking energy: -165.745 Base-Backbone interact. energy: 1.240 local terms energy: -280.125113 where: bonds (distance) C4'-P energy: -80.035 bonds (distance) P-C4' energy: -77.969 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: 1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1719.187208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.187208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.187208 (E_RNA) where: Base-Base interactions energy: -1198.473 where: short stacking energy: -495.435 Base-Backbone interact. energy: -3.643 local terms energy: -517.071009 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -103.893 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: -139.655 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1661.864446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.864446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.864446 (E_RNA) where: Base-Base interactions energy: -1150.476 where: short stacking energy: -519.326 Base-Backbone interact. energy: -2.910 local terms energy: -508.478507 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -113.954 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -145.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1631.805871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.805871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.805871 (E_RNA) where: Base-Base interactions energy: -1122.792 where: short stacking energy: -466.864 Base-Backbone interact. energy: -3.514 local terms energy: -505.499670 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -104.709 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -135.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1524.249480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.249480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.249480 (E_RNA) where: Base-Base interactions energy: -1080.069 where: short stacking energy: -458.648 Base-Backbone interact. energy: 4.220 local terms energy: -448.399938 where: bonds (distance) C4'-P energy: -90.811 bonds (distance) P-C4' energy: -87.478 flat angles C4'-P-C4' energy: -92.652 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -126.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1462.562630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.562630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.562630 (E_RNA) where: Base-Base interactions energy: -1011.152 where: short stacking energy: -421.870 Base-Backbone interact. energy: -2.455 local terms energy: -448.955373 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -84.472 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -103.036 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: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1299.679848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.679848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.679848 (E_RNA) where: Base-Base interactions energy: -855.813 where: short stacking energy: -393.545 Base-Backbone interact. energy: -0.746 local terms energy: -443.120852 where: bonds (distance) C4'-P energy: -84.485 bonds (distance) P-C4' energy: -96.422 flat angles C4'-P-C4' energy: -94.563 flat angles P-C4'-P energy: -57.877 tors. eta vs tors. theta energy: -109.774 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: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1199.541230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.541230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.541230 (E_RNA) where: Base-Base interactions energy: -799.915 where: short stacking energy: -370.883 Base-Backbone interact. energy: 0.728 local terms energy: -400.354048 where: bonds (distance) C4'-P energy: -90.570 bonds (distance) P-C4' energy: -88.166 flat angles C4'-P-C4' energy: -81.768 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -86.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -990.012844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.012844 (E_RNA) where: Base-Base interactions energy: -633.773 where: short stacking energy: -267.015 Base-Backbone interact. energy: -1.034 local terms energy: -355.205277 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -90.756 flat angles C4'-P-C4' energy: -76.970 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: -60.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -687.667146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.667146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.667146 (E_RNA) where: Base-Base interactions energy: -371.430 where: short stacking energy: -206.874 Base-Backbone interact. energy: -4.739 local terms energy: -311.498387 where: bonds (distance) C4'-P energy: -80.461 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -79.330 flat angles P-C4'-P energy: -37.960 tors. eta vs tors. theta energy: -21.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -548.258646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.258646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.258646 (E_RNA) where: Base-Base interactions energy: -267.207 where: short stacking energy: -166.103 Base-Backbone interact. energy: -1.774 local terms energy: -279.278294 where: bonds (distance) C4'-P energy: -84.151 bonds (distance) P-C4' energy: -83.984 flat angles C4'-P-C4' energy: -64.638 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -4.783 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: 124 Temperature: 0.900000 Total energy: -1708.766344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.766344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.766344 (E_RNA) where: Base-Base interactions energy: -1177.947 where: short stacking energy: -510.816 Base-Backbone interact. energy: -4.305 local terms energy: -526.513641 where: bonds (distance) C4'-P energy: -88.116 bonds (distance) P-C4' energy: -98.797 flat angles C4'-P-C4' energy: -115.768 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -147.548 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: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1662.357341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.357341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.357341 (E_RNA) where: Base-Base interactions energy: -1154.498 where: short stacking energy: -516.050 Base-Backbone interact. energy: -2.095 local terms energy: -505.764838 where: bonds (distance) C4'-P energy: -94.988 bonds (distance) P-C4' energy: -91.317 flat angles C4'-P-C4' energy: -106.188 flat angles P-C4'-P energy: -68.326 tors. eta vs tors. theta energy: -144.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1642.556373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.556373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.556373 (E_RNA) where: Base-Base interactions energy: -1165.037 where: short stacking energy: -470.029 Base-Backbone interact. energy: -1.083 local terms energy: -476.436317 where: bonds (distance) C4'-P energy: -93.933 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -103.589 flat angles P-C4'-P energy: -66.107 tors. eta vs tors. theta energy: -127.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1522.005137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.005137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.005137 (E_RNA) where: Base-Base interactions energy: -1065.056 where: short stacking energy: -434.002 Base-Backbone interact. energy: -2.547 local terms energy: -454.401654 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -99.411 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: -112.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1414.600346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.600346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.600346 (E_RNA) where: Base-Base interactions energy: -971.726 where: short stacking energy: -387.494 Base-Backbone interact. energy: -3.575 local terms energy: -439.299573 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -83.142 flat angles C4'-P-C4' energy: -99.129 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -104.361 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: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1283.977544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.977544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.977544 (E_RNA) where: Base-Base interactions energy: -868.984 where: short stacking energy: -380.896 Base-Backbone interact. energy: 2.756 local terms energy: -417.749769 where: bonds (distance) C4'-P energy: -74.232 bonds (distance) P-C4' energy: -90.282 flat angles C4'-P-C4' energy: -92.936 flat angles P-C4'-P energy: -61.874 tors. eta vs tors. theta energy: -98.426 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: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1155.684407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.684407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.684407 (E_RNA) where: Base-Base interactions energy: -763.683 where: short stacking energy: -336.253 Base-Backbone interact. energy: -0.868 local terms energy: -391.133696 where: bonds (distance) C4'-P energy: -89.083 bonds (distance) P-C4' energy: -80.634 flat angles C4'-P-C4' energy: -82.165 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -86.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1001.771130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.771130 (E_RNA) where: Base-Base interactions energy: -662.582 where: short stacking energy: -309.161 Base-Backbone interact. energy: -0.522 local terms energy: -338.666761 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -79.724 flat angles C4'-P-C4' energy: -84.102 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -49.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -739.907333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.907333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.907333 (E_RNA) where: Base-Base interactions energy: -434.344 where: short stacking energy: -205.289 Base-Backbone interact. energy: 1.726 local terms energy: -307.289695 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -76.625 flat angles C4'-P-C4' energy: -76.797 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: -22.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -515.421065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.421065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.421065 (E_RNA) where: Base-Base interactions energy: -253.066 where: short stacking energy: -164.332 Base-Backbone interact. energy: -1.934 local terms energy: -260.421449 where: bonds (distance) C4'-P energy: -68.526 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -60.814 flat angles P-C4'-P energy: -39.911 tors. eta vs tors. theta energy: -8.912 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: 125 Temperature: 0.900000 Total energy: -1731.073524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.073524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.073524 (E_RNA) where: Base-Base interactions energy: -1200.263 where: short stacking energy: -483.550 Base-Backbone interact. energy: -4.409 local terms energy: -526.402052 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -107.126 flat angles C4'-P-C4' energy: -122.591 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -133.598 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: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1673.338953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.338953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.338953 (E_RNA) where: Base-Base interactions energy: -1175.637 where: short stacking energy: -478.466 Base-Backbone interact. energy: 6.264 local terms energy: -503.965956 where: bonds (distance) C4'-P energy: -87.568 bonds (distance) P-C4' energy: -98.145 flat angles C4'-P-C4' energy: -100.614 flat angles P-C4'-P energy: -76.055 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: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1634.070961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.070961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.070961 (E_RNA) where: Base-Base interactions energy: -1118.826 where: short stacking energy: -505.273 Base-Backbone interact. energy: -1.733 local terms energy: -513.512601 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -111.311 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -143.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1503.187263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.187263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.187263 (E_RNA) where: Base-Base interactions energy: -1020.027 where: short stacking energy: -444.090 Base-Backbone interact. energy: -1.533 local terms energy: -481.627242 where: bonds (distance) C4'-P energy: -95.425 bonds (distance) P-C4' energy: -92.718 flat angles C4'-P-C4' energy: -103.074 flat angles P-C4'-P energy: -69.411 tors. eta vs tors. theta energy: -121.000 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1418.452805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.452805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.452805 (E_RNA) where: Base-Base interactions energy: -990.886 where: short stacking energy: -424.981 Base-Backbone interact. energy: -1.867 local terms energy: -425.699370 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -93.625 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -112.346 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1270.559643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.559643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.559643 (E_RNA) where: Base-Base interactions energy: -856.434 where: short stacking energy: -376.661 Base-Backbone interact. energy: 0.140 local terms energy: -414.266152 where: bonds (distance) C4'-P energy: -75.639 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -94.632 flat angles P-C4'-P energy: -52.174 tors. eta vs tors. theta energy: -104.830 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: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1183.382120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.382120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.382120 (E_RNA) where: Base-Base interactions energy: -790.778 where: short stacking energy: -343.868 Base-Backbone interact. energy: 0.728 local terms energy: -393.332523 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -84.890 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: -84.244 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: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1028.797878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.797878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.797878 (E_RNA) where: Base-Base interactions energy: -649.262 where: short stacking energy: -302.756 Base-Backbone interact. energy: -1.309 local terms energy: -378.226320 where: bonds (distance) C4'-P energy: -86.706 bonds (distance) P-C4' energy: -83.629 flat angles C4'-P-C4' energy: -92.541 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -67.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -736.918469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.918469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.918469 (E_RNA) where: Base-Base interactions energy: -410.889 where: short stacking energy: -214.841 Base-Backbone interact. energy: -2.879 local terms energy: -323.150241 where: bonds (distance) C4'-P energy: -81.616 bonds (distance) P-C4' energy: -91.213 flat angles C4'-P-C4' energy: -66.878 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -36.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -578.054213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.054213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.054213 (E_RNA) where: Base-Base interactions energy: -325.337 where: short stacking energy: -169.813 Base-Backbone interact. energy: -0.666 local terms energy: -252.050997 where: bonds (distance) C4'-P energy: -87.486 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -67.654 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: 5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1745.816994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.816994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.816994 (E_RNA) where: Base-Base interactions energy: -1226.585 where: short stacking energy: -503.690 Base-Backbone interact. energy: -4.281 local terms energy: -514.951144 where: bonds (distance) C4'-P energy: -96.500 bonds (distance) P-C4' energy: -97.956 flat angles C4'-P-C4' energy: -118.429 flat angles P-C4'-P energy: -64.766 tors. eta vs tors. theta energy: -137.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1682.467131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.467131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.467131 (E_RNA) where: Base-Base interactions energy: -1168.451 where: short stacking energy: -480.127 Base-Backbone interact. energy: -4.304 local terms energy: -509.712761 where: bonds (distance) C4'-P energy: -83.543 bonds (distance) P-C4' energy: -96.870 flat angles C4'-P-C4' energy: -119.999 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -137.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1574.944366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.944366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.944366 (E_RNA) where: Base-Base interactions energy: -1048.651 where: short stacking energy: -475.032 Base-Backbone interact. energy: -1.616 local terms energy: -524.677041 where: bonds (distance) C4'-P energy: -104.309 bonds (distance) P-C4' energy: -103.910 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -136.621 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1521.128907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.128907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.128907 (E_RNA) where: Base-Base interactions energy: -1051.200 where: short stacking energy: -430.338 Base-Backbone interact. energy: -3.269 local terms energy: -466.659846 where: bonds (distance) C4'-P energy: -81.345 bonds (distance) P-C4' energy: -97.733 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -65.273 tors. eta vs tors. theta energy: -118.707 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: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1421.844119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.844119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.844119 (E_RNA) where: Base-Base interactions energy: -963.946 where: short stacking energy: -391.298 Base-Backbone interact. energy: -2.582 local terms energy: -455.315854 where: bonds (distance) C4'-P energy: -84.494 bonds (distance) P-C4' energy: -89.456 flat angles C4'-P-C4' energy: -106.684 flat angles P-C4'-P energy: -65.708 tors. eta vs tors. theta energy: -108.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1310.966521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.966521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.966521 (E_RNA) where: Base-Base interactions energy: -878.751 where: short stacking energy: -377.499 Base-Backbone interact. energy: -2.308 local terms energy: -429.907777 where: bonds (distance) C4'-P energy: -84.944 bonds (distance) P-C4' energy: -90.817 flat angles C4'-P-C4' energy: -91.746 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -94.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1194.299665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.299665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.299665 (E_RNA) where: Base-Base interactions energy: -803.771 where: short stacking energy: -359.560 Base-Backbone interact. energy: 0.155 local terms energy: -390.684178 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -84.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1048.425887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.425887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.425887 (E_RNA) where: Base-Base interactions energy: -679.149 where: short stacking energy: -317.705 Base-Backbone interact. energy: -1.918 local terms energy: -367.359160 where: bonds (distance) C4'-P energy: -86.894 bonds (distance) P-C4' energy: -77.361 flat angles C4'-P-C4' energy: -75.253 flat angles P-C4'-P energy: -57.723 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -695.850200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.850200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.850200 (E_RNA) where: Base-Base interactions energy: -397.778 where: short stacking energy: -201.200 Base-Backbone interact. energy: -2.725 local terms energy: -295.347234 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -63.364 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -574.544919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.544919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.544919 (E_RNA) where: Base-Base interactions energy: -294.988 where: short stacking energy: -177.229 Base-Backbone interact. energy: 0.103 local terms energy: -279.660457 where: bonds (distance) C4'-P energy: -63.405 bonds (distance) P-C4' energy: -90.077 flat angles C4'-P-C4' energy: -67.641 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -11.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1726.069722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.069722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.069722 (E_RNA) where: Base-Base interactions energy: -1196.094 where: short stacking energy: -498.539 Base-Backbone interact. energy: -1.816 local terms energy: -528.159360 where: bonds (distance) C4'-P energy: -94.242 bonds (distance) P-C4' energy: -106.552 flat angles C4'-P-C4' energy: -111.105 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -145.557 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: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1655.061079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.061079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.061079 (E_RNA) where: Base-Base interactions energy: -1162.950 where: short stacking energy: -480.577 Base-Backbone interact. energy: -3.313 local terms energy: -488.798727 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -100.952 flat angles C4'-P-C4' energy: -100.810 flat angles P-C4'-P energy: -58.053 tors. eta vs tors. theta energy: -135.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1589.482480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.482480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.482480 (E_RNA) where: Base-Base interactions energy: -1105.917 where: short stacking energy: -508.504 Base-Backbone interact. energy: -0.251 local terms energy: -483.313854 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -107.834 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -142.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1499.999567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.999567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.999567 (E_RNA) where: Base-Base interactions energy: -1028.596 where: short stacking energy: -461.093 Base-Backbone interact. energy: -1.290 local terms energy: -470.112852 where: bonds (distance) C4'-P energy: -97.668 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -56.023 tors. eta vs tors. theta energy: -120.484 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: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1422.780053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.780053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.780053 (E_RNA) where: Base-Base interactions energy: -983.268 where: short stacking energy: -393.104 Base-Backbone interact. energy: 0.464 local terms energy: -439.976302 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -90.379 flat angles C4'-P-C4' energy: -101.508 flat angles P-C4'-P energy: -64.609 tors. eta vs tors. theta energy: -101.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1294.033810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.033810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.033810 (E_RNA) where: Base-Base interactions energy: -887.095 where: short stacking energy: -395.432 Base-Backbone interact. energy: -4.102 local terms energy: -402.836923 where: bonds (distance) C4'-P energy: -75.321 bonds (distance) P-C4' energy: -81.196 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -99.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1236.519656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.519656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.519656 (E_RNA) where: Base-Base interactions energy: -841.061 where: short stacking energy: -360.307 Base-Backbone interact. energy: 0.291 local terms energy: -395.749246 where: bonds (distance) C4'-P energy: -100.430 bonds (distance) P-C4' energy: -70.212 flat angles C4'-P-C4' energy: -88.207 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -90.575 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: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1000.714333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.714333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.714333 (E_RNA) where: Base-Base interactions energy: -626.568 where: short stacking energy: -306.567 Base-Backbone interact. energy: -2.244 local terms energy: -371.902427 where: bonds (distance) C4'-P energy: -81.716 bonds (distance) P-C4' energy: -87.171 flat angles C4'-P-C4' energy: -71.099 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -72.580 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: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -726.251391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.251391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.251391 (E_RNA) where: Base-Base interactions energy: -431.965 where: short stacking energy: -219.780 Base-Backbone interact. energy: -1.147 local terms energy: -293.139965 where: bonds (distance) C4'-P energy: -73.893 bonds (distance) P-C4' energy: -84.077 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -18.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -520.772476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.772476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.772476 (E_RNA) where: Base-Base interactions energy: -272.917 where: short stacking energy: -143.855 Base-Backbone interact. energy: 1.538 local terms energy: -249.393125 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -61.349 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: 3.526 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: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1695.509788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.509788 (E_RNA) where: Base-Base interactions energy: -1170.472 where: short stacking energy: -483.954 Base-Backbone interact. energy: -4.024 local terms energy: -521.013856 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -95.439 flat angles C4'-P-C4' energy: -113.343 flat angles P-C4'-P energy: -78.991 tors. eta vs tors. theta energy: -138.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1653.692127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.692127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.692127 (E_RNA) where: Base-Base interactions energy: -1143.222 where: short stacking energy: -470.469 Base-Backbone interact. energy: -4.283 local terms energy: -506.187554 where: bonds (distance) C4'-P energy: -95.142 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -107.344 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -132.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1619.388544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.388544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.388544 (E_RNA) where: Base-Base interactions energy: -1136.210 where: short stacking energy: -503.478 Base-Backbone interact. energy: -1.115 local terms energy: -482.063709 where: bonds (distance) C4'-P energy: -100.432 bonds (distance) P-C4' energy: -77.782 flat angles C4'-P-C4' energy: -102.871 flat angles P-C4'-P energy: -66.716 tors. eta vs tors. theta energy: -134.263 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: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1467.579845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.579845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.579845 (E_RNA) where: Base-Base interactions energy: -993.378 where: short stacking energy: -425.311 Base-Backbone interact. energy: 1.057 local terms energy: -475.258993 where: bonds (distance) C4'-P energy: -77.383 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -97.929 flat angles P-C4'-P energy: -75.928 tors. eta vs tors. theta energy: -124.091 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: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1393.656534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.656534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.656534 (E_RNA) where: Base-Base interactions energy: -959.767 where: short stacking energy: -401.891 Base-Backbone interact. energy: -4.969 local terms energy: -428.920545 where: bonds (distance) C4'-P energy: -93.663 bonds (distance) P-C4' energy: -86.969 flat angles C4'-P-C4' energy: -95.476 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -103.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1214.394622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.394622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.394622 (E_RNA) where: Base-Base interactions energy: -807.362 where: short stacking energy: -368.672 Base-Backbone interact. energy: 3.810 local terms energy: -410.842690 where: bonds (distance) C4'-P energy: -71.784 bonds (distance) P-C4' energy: -93.210 flat angles C4'-P-C4' energy: -98.187 flat angles P-C4'-P energy: -65.101 tors. eta vs tors. theta energy: -82.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1213.225390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.225390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.225390 (E_RNA) where: Base-Base interactions energy: -817.576 where: short stacking energy: -362.382 Base-Backbone interact. energy: -1.767 local terms energy: -393.882619 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -88.554 flat angles C4'-P-C4' energy: -95.304 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -73.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -982.711369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.711369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.711369 (E_RNA) where: Base-Base interactions energy: -608.632 where: short stacking energy: -288.438 Base-Backbone interact. energy: -0.444 local terms energy: -373.635324 where: bonds (distance) C4'-P energy: -97.362 bonds (distance) P-C4' energy: -77.105 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -58.065 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: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -797.501367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.501367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.501367 (E_RNA) where: Base-Base interactions energy: -478.300 where: short stacking energy: -234.445 Base-Backbone interact. energy: 0.677 local terms energy: -319.877768 where: bonds (distance) C4'-P energy: -74.717 bonds (distance) P-C4' energy: -87.262 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -53.232 tors. eta vs tors. theta energy: -33.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -588.613829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.613829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.613829 (E_RNA) where: Base-Base interactions energy: -307.562 where: short stacking energy: -168.333 Base-Backbone interact. energy: 1.966 local terms energy: -283.017716 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -93.828 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: 10.572 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1707.658096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.658096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.658096 (E_RNA) where: Base-Base interactions energy: -1202.458 where: short stacking energy: -483.654 Base-Backbone interact. energy: -5.683 local terms energy: -499.516386 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -91.187 flat angles C4'-P-C4' energy: -105.933 flat angles P-C4'-P energy: -63.687 tors. eta vs tors. theta energy: -135.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1691.844780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.844780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.844780 (E_RNA) where: Base-Base interactions energy: -1170.040 where: short stacking energy: -496.386 Base-Backbone interact. energy: -7.164 local terms energy: -514.640652 where: bonds (distance) C4'-P energy: -94.911 bonds (distance) P-C4' energy: -100.448 flat angles C4'-P-C4' energy: -116.359 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -147.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1599.897741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.897741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.897741 (E_RNA) where: Base-Base interactions energy: -1115.094 where: short stacking energy: -477.780 Base-Backbone interact. energy: 2.194 local terms energy: -486.998045 where: bonds (distance) C4'-P energy: -79.830 bonds (distance) P-C4' energy: -94.596 flat angles C4'-P-C4' energy: -103.869 flat angles P-C4'-P energy: -73.872 tors. eta vs tors. theta energy: -134.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1464.239385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.239385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.239385 (E_RNA) where: Base-Base interactions energy: -1000.216 where: short stacking energy: -441.228 Base-Backbone interact. energy: -1.153 local terms energy: -462.870675 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -87.536 flat angles C4'-P-C4' energy: -101.165 flat angles P-C4'-P energy: -64.906 tors. eta vs tors. theta energy: -115.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1402.871830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.871830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.871830 (E_RNA) where: Base-Base interactions energy: -954.939 where: short stacking energy: -403.448 Base-Backbone interact. energy: 4.485 local terms energy: -452.418237 where: bonds (distance) C4'-P energy: -89.243 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -103.508 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -105.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1286.359801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.359801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.359801 (E_RNA) where: Base-Base interactions energy: -842.960 where: short stacking energy: -382.492 Base-Backbone interact. energy: -2.830 local terms energy: -440.570261 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -106.724 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -99.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1169.983634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.983634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.983634 (E_RNA) where: Base-Base interactions energy: -790.781 where: short stacking energy: -339.881 Base-Backbone interact. energy: 3.201 local terms energy: -382.403189 where: bonds (distance) C4'-P energy: -82.132 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -83.941 flat angles P-C4'-P energy: -59.094 tors. eta vs tors. theta energy: -77.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -974.650079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.650079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.650079 (E_RNA) where: Base-Base interactions energy: -622.666 where: short stacking energy: -296.181 Base-Backbone interact. energy: -1.334 local terms energy: -350.650247 where: bonds (distance) C4'-P energy: -70.500 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -72.209 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -58.567 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: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -746.576903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.576903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.576903 (E_RNA) where: Base-Base interactions energy: -457.340 where: short stacking energy: -215.567 Base-Backbone interact. energy: 3.316 local terms energy: -292.552121 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -87.360 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -29.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -574.335478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.335478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.335478 (E_RNA) where: Base-Base interactions energy: -309.163 where: short stacking energy: -163.905 Base-Backbone interact. energy: -0.866 local terms energy: -264.306258 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -67.337 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: 0.139 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: 130 Temperature: 0.900000 Total energy: -1723.692360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.692360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.692360 (E_RNA) where: Base-Base interactions energy: -1195.912 where: short stacking energy: -497.299 Base-Backbone interact. energy: -4.754 local terms energy: -523.026836 where: bonds (distance) C4'-P energy: -99.718 bonds (distance) P-C4' energy: -95.710 flat angles C4'-P-C4' energy: -110.583 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -144.336 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: 130 Temperature: 0.950000 Total energy: -1662.996463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.996463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.996463 (E_RNA) where: Base-Base interactions energy: -1154.682 where: short stacking energy: -459.749 Base-Backbone interact. energy: -4.084 local terms energy: -504.230729 where: bonds (distance) C4'-P energy: -91.016 bonds (distance) P-C4' energy: -103.509 flat angles C4'-P-C4' energy: -108.520 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: -139.139 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: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1615.802747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.802747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.802747 (E_RNA) where: Base-Base interactions energy: -1121.260 where: short stacking energy: -514.518 Base-Backbone interact. energy: -1.617 local terms energy: -492.925615 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -60.460 tors. eta vs tors. theta energy: -143.605 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: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1460.563020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.563020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.563020 (E_RNA) where: Base-Base interactions energy: -972.018 where: short stacking energy: -425.578 Base-Backbone interact. energy: -1.718 local terms energy: -486.827215 where: bonds (distance) C4'-P energy: -106.174 bonds (distance) P-C4' energy: -95.781 flat angles C4'-P-C4' energy: -104.217 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -124.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1415.727525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.727525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.727525 (E_RNA) where: Base-Base interactions energy: -962.595 where: short stacking energy: -415.102 Base-Backbone interact. energy: -2.853 local terms energy: -450.279016 where: bonds (distance) C4'-P energy: -85.263 bonds (distance) P-C4' energy: -80.451 flat angles C4'-P-C4' energy: -104.083 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -114.727 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: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1284.155144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.155144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.155144 (E_RNA) where: Base-Base interactions energy: -873.357 where: short stacking energy: -393.143 Base-Backbone interact. energy: -1.286 local terms energy: -409.511532 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -88.270 flat angles C4'-P-C4' energy: -98.393 flat angles P-C4'-P energy: -49.981 tors. eta vs tors. theta energy: -91.021 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: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1177.867582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.867582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.867582 (E_RNA) where: Base-Base interactions energy: -782.509 where: short stacking energy: -342.988 Base-Backbone interact. energy: -1.105 local terms energy: -394.254020 where: bonds (distance) C4'-P energy: -84.338 bonds (distance) P-C4' energy: -91.877 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -76.368 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: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -968.906102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.906102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.906102 (E_RNA) where: Base-Base interactions energy: -622.450 where: short stacking energy: -283.512 Base-Backbone interact. energy: 2.839 local terms energy: -349.294512 where: bonds (distance) C4'-P energy: -62.986 bonds (distance) P-C4' energy: -82.967 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -49.918 tors. eta vs tors. theta energy: -65.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -701.819603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.819603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.819603 (E_RNA) where: Base-Base interactions energy: -400.231 where: short stacking energy: -219.322 Base-Backbone interact. energy: 0.354 local terms energy: -301.942215 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -86.809 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -26.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -551.878789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.878789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.878789 (E_RNA) where: Base-Base interactions energy: -299.143 where: short stacking energy: -169.174 Base-Backbone interact. energy: 2.163 local terms energy: -254.899195 where: bonds (distance) C4'-P energy: -69.804 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -72.190 flat angles P-C4'-P energy: -42.068 tors. eta vs tors. theta energy: 4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1698.356806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.356806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.356806 (E_RNA) where: Base-Base interactions energy: -1183.939 where: short stacking energy: -474.420 Base-Backbone interact. energy: -5.527 local terms energy: -508.891206 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -103.281 flat angles C4'-P-C4' energy: -99.149 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -135.710 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: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1654.188525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.188525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.188525 (E_RNA) where: Base-Base interactions energy: -1142.116 where: short stacking energy: -464.168 Base-Backbone interact. energy: -1.357 local terms energy: -510.715325 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -111.698 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -66.838 tors. eta vs tors. theta energy: -135.214 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: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1583.655612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.655612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.655612 (E_RNA) where: Base-Base interactions energy: -1102.951 where: short stacking energy: -497.350 Base-Backbone interact. energy: 0.492 local terms energy: -481.196610 where: bonds (distance) C4'-P energy: -84.252 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -113.460 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -139.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1468.068458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.068458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.068458 (E_RNA) where: Base-Base interactions energy: -1025.281 where: short stacking energy: -435.150 Base-Backbone interact. energy: 0.214 local terms energy: -443.000946 where: bonds (distance) C4'-P energy: -82.295 bonds (distance) P-C4' energy: -92.692 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -105.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1433.955836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.955836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.955836 (E_RNA) where: Base-Base interactions energy: -988.245 where: short stacking energy: -414.068 Base-Backbone interact. energy: -1.042 local terms energy: -444.668780 where: bonds (distance) C4'-P energy: -74.162 bonds (distance) P-C4' energy: -92.808 flat angles C4'-P-C4' energy: -92.338 flat angles P-C4'-P energy: -67.908 tors. eta vs tors. theta energy: -117.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1246.307547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.307547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.307547 (E_RNA) where: Base-Base interactions energy: -843.923 where: short stacking energy: -359.750 Base-Backbone interact. energy: -1.865 local terms energy: -400.519412 where: bonds (distance) C4'-P energy: -83.563 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -90.284 flat angles P-C4'-P energy: -63.688 tors. eta vs tors. theta energy: -71.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1157.294587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.294587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.294587 (E_RNA) where: Base-Base interactions energy: -776.306 where: short stacking energy: -321.870 Base-Backbone interact. energy: -3.138 local terms energy: -377.850861 where: bonds (distance) C4'-P energy: -76.714 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -82.296 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -72.426 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: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1006.240353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.240353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.240353 (E_RNA) where: Base-Base interactions energy: -634.652 where: short stacking energy: -283.553 Base-Backbone interact. energy: -2.125 local terms energy: -369.462896 where: bonds (distance) C4'-P energy: -79.022 bonds (distance) P-C4' energy: -100.298 flat angles C4'-P-C4' energy: -80.167 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -62.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -744.108885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.108885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.108885 (E_RNA) where: Base-Base interactions energy: -426.023 where: short stacking energy: -230.180 Base-Backbone interact. energy: 4.133 local terms energy: -322.219333 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -85.484 flat angles C4'-P-C4' energy: -78.771 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -30.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -644.839129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.839129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.839129 (E_RNA) where: Base-Base interactions energy: -340.314 where: short stacking energy: -187.528 Base-Backbone interact. energy: -0.476 local terms energy: -304.049588 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -74.647 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -8.132 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: 132 Temperature: 0.900000 Total energy: -1708.063531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.063531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.063531 (E_RNA) where: Base-Base interactions energy: -1188.020 where: short stacking energy: -498.329 Base-Backbone interact. energy: -3.592 local terms energy: -516.451388 where: bonds (distance) C4'-P energy: -94.539 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -118.138 flat angles P-C4'-P energy: -60.496 tors. eta vs tors. theta energy: -140.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1648.143849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.143849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.143849 (E_RNA) where: Base-Base interactions energy: -1148.039 where: short stacking energy: -462.810 Base-Backbone interact. energy: -2.263 local terms energy: -497.841202 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -89.326 flat angles C4'-P-C4' energy: -107.629 flat angles P-C4'-P energy: -61.835 tors. eta vs tors. theta energy: -140.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1558.690795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.690795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.690795 (E_RNA) where: Base-Base interactions energy: -1049.675 where: short stacking energy: -479.263 Base-Backbone interact. energy: -2.801 local terms energy: -506.214516 where: bonds (distance) C4'-P energy: -98.007 bonds (distance) P-C4' energy: -95.276 flat angles C4'-P-C4' energy: -112.803 flat angles P-C4'-P energy: -73.597 tors. eta vs tors. theta energy: -126.531 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: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1444.186432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.186432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.186432 (E_RNA) where: Base-Base interactions energy: -994.831 where: short stacking energy: -450.755 Base-Backbone interact. energy: -1.161 local terms energy: -448.193951 where: bonds (distance) C4'-P energy: -78.631 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -103.134 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: -113.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1437.422027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.422027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.422027 (E_RNA) where: Base-Base interactions energy: -992.866 where: short stacking energy: -403.525 Base-Backbone interact. energy: -3.543 local terms energy: -441.013473 where: bonds (distance) C4'-P energy: -97.952 bonds (distance) P-C4' energy: -90.821 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -103.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1289.861403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.861403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.861403 (E_RNA) where: Base-Base interactions energy: -877.808 where: short stacking energy: -396.555 Base-Backbone interact. energy: 0.707 local terms energy: -412.760088 where: bonds (distance) C4'-P energy: -78.172 bonds (distance) P-C4' energy: -80.927 flat angles C4'-P-C4' energy: -95.492 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -105.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1164.277508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.277508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.277508 (E_RNA) where: Base-Base interactions energy: -762.037 where: short stacking energy: -331.993 Base-Backbone interact. energy: -0.942 local terms energy: -401.298718 where: bonds (distance) C4'-P energy: -97.508 bonds (distance) P-C4' energy: -79.602 flat angles C4'-P-C4' energy: -90.702 flat angles P-C4'-P energy: -53.829 tors. eta vs tors. theta energy: -79.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -995.761918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.761918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.761918 (E_RNA) where: Base-Base interactions energy: -638.886 where: short stacking energy: -292.380 Base-Backbone interact. energy: 0.542 local terms energy: -357.417383 where: bonds (distance) C4'-P energy: -81.294 bonds (distance) P-C4' energy: -90.066 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -41.927 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: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -732.430352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.430352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.430352 (E_RNA) where: Base-Base interactions energy: -426.215 where: short stacking energy: -211.078 Base-Backbone interact. energy: -3.456 local terms energy: -302.758698 where: bonds (distance) C4'-P energy: -77.340 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -88.828 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -20.799 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: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -630.112300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.112300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.112300 (E_RNA) where: Base-Base interactions energy: -339.255 where: short stacking energy: -168.078 Base-Backbone interact. energy: -2.994 local terms energy: -287.862798 where: bonds (distance) C4'-P energy: -73.201 bonds (distance) P-C4' energy: -84.029 flat angles C4'-P-C4' energy: -81.565 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1724.024357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.024357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.024357 (E_RNA) where: Base-Base interactions energy: -1210.840 where: short stacking energy: -494.534 Base-Backbone interact. energy: -4.609 local terms energy: -508.575097 where: bonds (distance) C4'-P energy: -93.405 bonds (distance) P-C4' energy: -94.034 flat angles C4'-P-C4' energy: -111.130 flat angles P-C4'-P energy: -65.033 tors. eta vs tors. theta energy: -144.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1648.000998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.000998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.000998 (E_RNA) where: Base-Base interactions energy: -1130.781 where: short stacking energy: -461.652 Base-Backbone interact. energy: -5.134 local terms energy: -512.086841 where: bonds (distance) C4'-P energy: -90.448 bonds (distance) P-C4' energy: -99.680 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -128.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1542.775979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.775979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.775979 (E_RNA) where: Base-Base interactions energy: -1040.772 where: short stacking energy: -476.893 Base-Backbone interact. energy: -2.520 local terms energy: -499.483295 where: bonds (distance) C4'-P energy: -93.664 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -101.505 flat angles P-C4'-P energy: -67.810 tors. eta vs tors. theta energy: -130.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1480.436858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.436858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.436858 (E_RNA) where: Base-Base interactions energy: -1006.603 where: short stacking energy: -434.008 Base-Backbone interact. energy: -2.454 local terms energy: -471.379010 where: bonds (distance) C4'-P energy: -98.078 bonds (distance) P-C4' energy: -89.348 flat angles C4'-P-C4' energy: -111.862 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: -113.030 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1431.824061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.824061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.824061 (E_RNA) where: Base-Base interactions energy: -978.536 where: short stacking energy: -434.872 Base-Backbone interact. energy: -2.977 local terms energy: -450.311353 where: bonds (distance) C4'-P energy: -91.606 bonds (distance) P-C4' energy: -91.900 flat angles C4'-P-C4' energy: -98.815 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -111.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1301.030449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.030449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.030449 (E_RNA) where: Base-Base interactions energy: -904.660 where: short stacking energy: -375.938 Base-Backbone interact. energy: -0.160 local terms energy: -396.210557 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -89.917 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -52.131 tors. eta vs tors. theta energy: -87.915 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: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1162.787161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.787161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.787161 (E_RNA) where: Base-Base interactions energy: -762.580 where: short stacking energy: -337.461 Base-Backbone interact. energy: -2.115 local terms energy: -398.092745 where: bonds (distance) C4'-P energy: -73.868 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -77.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1023.930874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.930874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.930874 (E_RNA) where: Base-Base interactions energy: -649.342 where: short stacking energy: -297.883 Base-Backbone interact. energy: -1.825 local terms energy: -372.764501 where: bonds (distance) C4'-P energy: -78.463 bonds (distance) P-C4' energy: -88.672 flat angles C4'-P-C4' energy: -81.535 flat angles P-C4'-P energy: -57.520 tors. eta vs tors. theta energy: -66.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -673.167921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.167921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.167921 (E_RNA) where: Base-Base interactions energy: -386.683 where: short stacking energy: -188.045 Base-Backbone interact. energy: -0.748 local terms energy: -285.736752 where: bonds (distance) C4'-P energy: -76.740 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -83.922 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -627.201801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.201801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.201801 (E_RNA) where: Base-Base interactions energy: -346.163 where: short stacking energy: -157.694 Base-Backbone interact. energy: 1.742 local terms energy: -282.780855 where: bonds (distance) C4'-P energy: -87.990 bonds (distance) P-C4' energy: -86.986 flat angles C4'-P-C4' energy: -56.149 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -12.889 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1712.420514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.420514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.420514 (E_RNA) where: Base-Base interactions energy: -1203.219 where: short stacking energy: -504.959 Base-Backbone interact. energy: -3.012 local terms energy: -506.189954 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -96.639 flat angles C4'-P-C4' energy: -101.339 flat angles P-C4'-P energy: -78.141 tors. eta vs tors. theta energy: -134.272 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: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1648.886829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.886829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.886829 (E_RNA) where: Base-Base interactions energy: -1164.447 where: short stacking energy: -482.270 Base-Backbone interact. energy: -3.659 local terms energy: -480.781040 where: bonds (distance) C4'-P energy: -88.309 bonds (distance) P-C4' energy: -90.008 flat angles C4'-P-C4' energy: -99.031 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -125.544 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: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1560.560689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.560689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.560689 (E_RNA) where: Base-Base interactions energy: -1086.005 where: short stacking energy: -465.317 Base-Backbone interact. energy: 0.910 local terms energy: -475.466228 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -91.998 flat angles C4'-P-C4' energy: -101.683 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -127.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1519.256544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.256544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.256544 (E_RNA) where: Base-Base interactions energy: -1050.990 where: short stacking energy: -433.410 Base-Backbone interact. energy: -5.226 local terms energy: -463.040612 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -90.514 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -72.700 tors. eta vs tors. theta energy: -112.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1434.050955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.050955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.050955 (E_RNA) where: Base-Base interactions energy: -973.269 where: short stacking energy: -416.310 Base-Backbone interact. energy: -3.552 local terms energy: -457.229661 where: bonds (distance) C4'-P energy: -85.136 bonds (distance) P-C4' energy: -86.422 flat angles C4'-P-C4' energy: -104.183 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -120.067 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: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1337.797854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.797854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.797854 (E_RNA) where: Base-Base interactions energy: -917.166 where: short stacking energy: -389.886 Base-Backbone interact. energy: -0.126 local terms energy: -420.506268 where: bonds (distance) C4'-P energy: -79.383 bonds (distance) P-C4' energy: -87.007 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -102.401 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: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1224.458614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.458614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.458614 (E_RNA) where: Base-Base interactions energy: -797.167 where: short stacking energy: -345.294 Base-Backbone interact. energy: -1.191 local terms energy: -426.100072 where: bonds (distance) C4'-P energy: -90.031 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -92.626 flat angles P-C4'-P energy: -58.556 tors. eta vs tors. theta energy: -92.601 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: 134 Temperature: 1.250000 Total energy: -991.825081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.825081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.825081 (E_RNA) where: Base-Base interactions energy: -622.528 where: short stacking energy: -319.449 Base-Backbone interact. energy: 1.462 local terms energy: -370.759713 where: bonds (distance) C4'-P energy: -65.875 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -91.980 flat angles P-C4'-P energy: -55.236 tors. eta vs tors. theta energy: -73.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -691.357416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.357416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.357416 (E_RNA) where: Base-Base interactions energy: -394.070 where: short stacking energy: -203.145 Base-Backbone interact. energy: 2.576 local terms energy: -299.863593 where: bonds (distance) C4'-P energy: -90.923 bonds (distance) P-C4' energy: -62.662 flat angles C4'-P-C4' energy: -68.238 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -692.278773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.278773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.278773 (E_RNA) where: Base-Base interactions energy: -436.989 where: short stacking energy: -219.756 Base-Backbone interact. energy: -1.064 local terms energy: -254.226006 where: bonds (distance) C4'-P energy: -64.568 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -52.512 flat angles P-C4'-P energy: -25.967 tors. eta vs tors. theta energy: -34.129 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: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1682.873902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.873902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.873902 (E_RNA) where: Base-Base interactions energy: -1181.000 where: short stacking energy: -483.161 Base-Backbone interact. energy: -3.588 local terms energy: -498.286105 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -99.523 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -132.878 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: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1663.207630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.207630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.207630 (E_RNA) where: Base-Base interactions energy: -1147.390 where: short stacking energy: -481.080 Base-Backbone interact. energy: -2.908 local terms energy: -512.909694 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -98.280 flat angles C4'-P-C4' energy: -115.792 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: -139.498 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: 135 Temperature: 1.000000 Total energy: -1600.084712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.084712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.084712 (E_RNA) where: Base-Base interactions energy: -1090.521 where: short stacking energy: -476.439 Base-Backbone interact. energy: -3.770 local terms energy: -505.793337 where: bonds (distance) C4'-P energy: -90.484 bonds (distance) P-C4' energy: -95.166 flat angles C4'-P-C4' energy: -101.078 flat angles P-C4'-P energy: -85.384 tors. eta vs tors. theta energy: -133.681 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: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1508.335981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.335981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.335981 (E_RNA) where: Base-Base interactions energy: -1058.959 where: short stacking energy: -442.418 Base-Backbone interact. energy: -2.060 local terms energy: -447.317604 where: bonds (distance) C4'-P energy: -84.151 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -100.004 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -106.128 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: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1427.074164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.074164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.074164 (E_RNA) where: Base-Base interactions energy: -983.643 where: short stacking energy: -435.961 Base-Backbone interact. energy: -1.910 local terms energy: -441.521481 where: bonds (distance) C4'-P energy: -72.277 bonds (distance) P-C4' energy: -94.946 flat angles C4'-P-C4' energy: -99.775 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -119.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1358.753888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.753888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.753888 (E_RNA) where: Base-Base interactions energy: -918.317 where: short stacking energy: -390.870 Base-Backbone interact. energy: -2.457 local terms energy: -437.979521 where: bonds (distance) C4'-P energy: -81.064 bonds (distance) P-C4' energy: -99.351 flat angles C4'-P-C4' energy: -92.019 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -101.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1178.673118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.673118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.673118 (E_RNA) where: Base-Base interactions energy: -785.998 where: short stacking energy: -345.982 Base-Backbone interact. energy: 2.735 local terms energy: -395.409618 where: bonds (distance) C4'-P energy: -76.948 bonds (distance) P-C4' energy: -80.014 flat angles C4'-P-C4' energy: -85.951 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: -82.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1023.044567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.044567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.044567 (E_RNA) where: Base-Base interactions energy: -667.640 where: short stacking energy: -320.279 Base-Backbone interact. energy: -0.924 local terms energy: -354.480355 where: bonds (distance) C4'-P energy: -82.460 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -79.018 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -73.226 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: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -677.631661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.631661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.631661 (E_RNA) where: Base-Base interactions energy: -381.864 where: short stacking energy: -210.694 Base-Backbone interact. energy: 1.624 local terms energy: -297.391098 where: bonds (distance) C4'-P energy: -74.378 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -64.496 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -27.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -638.418373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.418373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.418373 (E_RNA) where: Base-Base interactions energy: -343.712 where: short stacking energy: -179.829 Base-Backbone interact. energy: 1.451 local terms energy: -296.157242 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -88.530 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -19.336 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: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1691.295899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.295899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.295899 (E_RNA) where: Base-Base interactions energy: -1169.272 where: short stacking energy: -476.937 Base-Backbone interact. energy: -3.440 local terms energy: -518.584622 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -101.064 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -136.337 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: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1686.551092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.551092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.551092 (E_RNA) where: Base-Base interactions energy: -1201.038 where: short stacking energy: -457.108 Base-Backbone interact. energy: -2.202 local terms energy: -483.311169 where: bonds (distance) C4'-P energy: -93.733 bonds (distance) P-C4' energy: -95.594 flat angles C4'-P-C4' energy: -105.038 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: -120.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1599.417638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.417638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.417638 (E_RNA) where: Base-Base interactions energy: -1129.648 where: short stacking energy: -492.198 Base-Backbone interact. energy: -1.043 local terms energy: -468.726867 where: bonds (distance) C4'-P energy: -80.344 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -103.111 flat angles P-C4'-P energy: -65.601 tors. eta vs tors. theta energy: -129.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1473.378702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.378702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.378702 (E_RNA) where: Base-Base interactions energy: -1026.809 where: short stacking energy: -415.906 Base-Backbone interact. energy: -2.141 local terms energy: -444.428539 where: bonds (distance) C4'-P energy: -83.617 bonds (distance) P-C4' energy: -94.448 flat angles C4'-P-C4' energy: -102.967 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -106.149 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1461.311193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.311193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.311193 (E_RNA) where: Base-Base interactions energy: -1009.190 where: short stacking energy: -443.401 Base-Backbone interact. energy: -4.262 local terms energy: -447.859867 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -85.046 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -54.053 tors. eta vs tors. theta energy: -118.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1327.944942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.944942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.944942 (E_RNA) where: Base-Base interactions energy: -892.911 where: short stacking energy: -378.621 Base-Backbone interact. energy: 0.591 local terms energy: -435.624373 where: bonds (distance) C4'-P energy: -94.953 bonds (distance) P-C4' energy: -84.595 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -100.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1179.975586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.975586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.975586 (E_RNA) where: Base-Base interactions energy: -795.694 where: short stacking energy: -354.427 Base-Backbone interact. energy: -1.005 local terms energy: -383.276682 where: bonds (distance) C4'-P energy: -81.798 bonds (distance) P-C4' energy: -85.777 flat angles C4'-P-C4' energy: -89.064 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -84.070 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: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1027.208330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.208330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.208330 (E_RNA) where: Base-Base interactions energy: -645.488 where: short stacking energy: -328.730 Base-Backbone interact. energy: 2.827 local terms energy: -384.547647 where: bonds (distance) C4'-P energy: -74.088 bonds (distance) P-C4' energy: -80.894 flat angles C4'-P-C4' energy: -85.530 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -83.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -720.808488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.808488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.808488 (E_RNA) where: Base-Base interactions energy: -403.807 where: short stacking energy: -203.863 Base-Backbone interact. energy: -0.616 local terms energy: -316.385267 where: bonds (distance) C4'-P energy: -79.091 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -59.771 flat angles P-C4'-P energy: -63.315 tors. eta vs tors. theta energy: -13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -638.557500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.557500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.557500 (E_RNA) where: Base-Base interactions energy: -343.615 where: short stacking energy: -186.961 Base-Backbone interact. energy: -0.320 local terms energy: -294.623146 where: bonds (distance) C4'-P energy: -77.745 bonds (distance) P-C4' energy: -68.951 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -20.204 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: 137 Temperature: 0.900000 Total energy: -1683.212818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.212818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.212818 (E_RNA) where: Base-Base interactions energy: -1178.456 where: short stacking energy: -476.954 Base-Backbone interact. energy: -0.414 local terms energy: -504.343659 where: bonds (distance) C4'-P energy: -102.153 bonds (distance) P-C4' energy: -96.253 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -67.139 tors. eta vs tors. theta energy: -126.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1663.393625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.393625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.393625 (E_RNA) where: Base-Base interactions energy: -1183.665 where: short stacking energy: -483.923 Base-Backbone interact. energy: -1.982 local terms energy: -477.746232 where: bonds (distance) C4'-P energy: -86.971 bonds (distance) P-C4' energy: -90.859 flat angles C4'-P-C4' energy: -103.777 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -129.743 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: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1615.318339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.318339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.318339 (E_RNA) where: Base-Base interactions energy: -1100.834 where: short stacking energy: -467.355 Base-Backbone interact. energy: 0.989 local terms energy: -515.473887 where: bonds (distance) C4'-P energy: -92.547 bonds (distance) P-C4' energy: -108.288 flat angles C4'-P-C4' energy: -110.023 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: -130.694 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: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1517.247410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.247410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.247410 (E_RNA) where: Base-Base interactions energy: -1055.437 where: short stacking energy: -466.245 Base-Backbone interact. energy: -1.165 local terms energy: -460.645267 where: bonds (distance) C4'-P energy: -81.502 bonds (distance) P-C4' energy: -92.231 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -65.324 tors. eta vs tors. theta energy: -123.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1422.316462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.316462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.316462 (E_RNA) where: Base-Base interactions energy: -1006.428 where: short stacking energy: -411.559 Base-Backbone interact. energy: 0.334 local terms energy: -416.222542 where: bonds (distance) C4'-P energy: -87.653 bonds (distance) P-C4' energy: -86.772 flat angles C4'-P-C4' energy: -85.134 flat angles P-C4'-P energy: -49.841 tors. eta vs tors. theta energy: -106.823 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: 8 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1384.105560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.105560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.105560 (E_RNA) where: Base-Base interactions energy: -958.407 where: short stacking energy: -425.704 Base-Backbone interact. energy: -0.323 local terms energy: -425.376067 where: bonds (distance) C4'-P energy: -78.370 bonds (distance) P-C4' energy: -79.784 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -119.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1164.730970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.730970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.730970 (E_RNA) where: Base-Base interactions energy: -746.414 where: short stacking energy: -339.029 Base-Backbone interact. energy: -0.113 local terms energy: -418.203659 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -90.523 flat angles C4'-P-C4' energy: -98.572 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -84.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1035.045943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.045943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.045943 (E_RNA) where: Base-Base interactions energy: -664.826 where: short stacking energy: -315.986 Base-Backbone interact. energy: -0.643 local terms energy: -369.576936 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -86.462 flat angles C4'-P-C4' energy: -79.783 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -71.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -746.352910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.352910 (E_RNA) where: Base-Base interactions energy: -434.815 where: short stacking energy: -218.880 Base-Backbone interact. energy: 2.403 local terms energy: -313.941382 where: bonds (distance) C4'-P energy: -78.657 bonds (distance) P-C4' energy: -86.944 flat angles C4'-P-C4' energy: -78.376 flat angles P-C4'-P energy: -33.715 tors. eta vs tors. theta energy: -36.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -635.664733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.664733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.664733 (E_RNA) where: Base-Base interactions energy: -356.912 where: short stacking energy: -174.620 Base-Backbone interact. energy: 5.016 local terms energy: -283.768543 where: bonds (distance) C4'-P energy: -82.334 bonds (distance) P-C4' energy: -87.380 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -28.848 tors. eta vs tors. theta energy: -7.169 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: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1695.124601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.124601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.124601 (E_RNA) where: Base-Base interactions energy: -1175.371 where: short stacking energy: -486.800 Base-Backbone interact. energy: -2.198 local terms energy: -517.555515 where: bonds (distance) C4'-P energy: -96.867 bonds (distance) P-C4' energy: -104.802 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -138.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1666.162033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.162033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.162033 (E_RNA) where: Base-Base interactions energy: -1168.220 where: short stacking energy: -473.725 Base-Backbone interact. energy: -1.335 local terms energy: -496.607442 where: bonds (distance) C4'-P energy: -93.785 bonds (distance) P-C4' energy: -98.141 flat angles C4'-P-C4' energy: -100.977 flat angles P-C4'-P energy: -70.657 tors. eta vs tors. theta energy: -133.048 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: 138 Temperature: 1.000000 Total energy: -1652.060663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.060663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.060663 (E_RNA) where: Base-Base interactions energy: -1139.417 where: short stacking energy: -501.848 Base-Backbone interact. energy: -0.720 local terms energy: -511.924131 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -98.357 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -80.364 tors. eta vs tors. theta energy: -141.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1505.974970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.974970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.974970 (E_RNA) where: Base-Base interactions energy: -1044.785 where: short stacking energy: -424.794 Base-Backbone interact. energy: -1.917 local terms energy: -459.272385 where: bonds (distance) C4'-P energy: -87.037 bonds (distance) P-C4' energy: -101.202 flat angles C4'-P-C4' energy: -103.445 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -113.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1457.629621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.629621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.629621 (E_RNA) where: Base-Base interactions energy: -1006.524 where: short stacking energy: -416.669 Base-Backbone interact. energy: 2.052 local terms energy: -453.157584 where: bonds (distance) C4'-P energy: -78.918 bonds (distance) P-C4' energy: -98.803 flat angles C4'-P-C4' energy: -100.807 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -107.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1332.207468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.207468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.207468 (E_RNA) where: Base-Base interactions energy: -885.681 where: short stacking energy: -387.621 Base-Backbone interact. energy: -2.607 local terms energy: -443.919833 where: bonds (distance) C4'-P energy: -92.044 bonds (distance) P-C4' energy: -91.901 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -66.499 tors. eta vs tors. theta energy: -103.477 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1169.644191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.644191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.644191 (E_RNA) where: Base-Base interactions energy: -791.321 where: short stacking energy: -349.952 Base-Backbone interact. energy: -2.840 local terms energy: -375.483512 where: bonds (distance) C4'-P energy: -78.663 bonds (distance) P-C4' energy: -72.382 flat angles C4'-P-C4' energy: -96.056 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -76.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -997.299585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.299585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.299585 (E_RNA) where: Base-Base interactions energy: -633.857 where: short stacking energy: -303.905 Base-Backbone interact. energy: 0.088 local terms energy: -363.530176 where: bonds (distance) C4'-P energy: -92.411 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -83.242 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -70.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -732.779113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.779113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.779113 (E_RNA) where: Base-Base interactions energy: -426.088 where: short stacking energy: -245.144 Base-Backbone interact. energy: -2.790 local terms energy: -303.901234 where: bonds (distance) C4'-P energy: -85.606 bonds (distance) P-C4' energy: -77.319 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -40.518 tors. eta vs tors. theta energy: -35.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -614.498074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.498074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.498074 (E_RNA) where: Base-Base interactions energy: -354.635 where: short stacking energy: -170.190 Base-Backbone interact. energy: -0.591 local terms energy: -259.271836 where: bonds (distance) C4'-P energy: -77.370 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -61.801 flat angles P-C4'-P energy: -28.502 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1691.811249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.811249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.811249 (E_RNA) where: Base-Base interactions energy: -1192.731 where: short stacking energy: -500.197 Base-Backbone interact. energy: -1.584 local terms energy: -497.496741 where: bonds (distance) C4'-P energy: -98.580 bonds (distance) P-C4' energy: -87.130 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -137.083 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: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1676.710060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.710060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.710060 (E_RNA) where: Base-Base interactions energy: -1157.177 where: short stacking energy: -487.317 Base-Backbone interact. energy: -3.645 local terms energy: -515.888189 where: bonds (distance) C4'-P energy: -90.714 bonds (distance) P-C4' energy: -105.037 flat angles C4'-P-C4' energy: -114.550 flat angles P-C4'-P energy: -69.938 tors. eta vs tors. theta energy: -135.649 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: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1674.145340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.145340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.145340 (E_RNA) where: Base-Base interactions energy: -1165.728 where: short stacking energy: -517.496 Base-Backbone interact. energy: -3.086 local terms energy: -505.331632 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -85.483 flat angles C4'-P-C4' energy: -113.017 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -147.959 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: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1452.763781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.763781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.763781 (E_RNA) where: Base-Base interactions energy: -1006.584 where: short stacking energy: -421.202 Base-Backbone interact. energy: 0.053 local terms energy: -446.231899 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -97.244 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -113.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1444.958104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.958104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.958104 (E_RNA) where: Base-Base interactions energy: -996.463 where: short stacking energy: -433.011 Base-Backbone interact. energy: -1.432 local terms energy: -447.062762 where: bonds (distance) C4'-P energy: -92.190 bonds (distance) P-C4' energy: -90.421 flat angles C4'-P-C4' energy: -91.051 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -113.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1313.532493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.532493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.532493 (E_RNA) where: Base-Base interactions energy: -881.424 where: short stacking energy: -385.755 Base-Backbone interact. energy: -1.066 local terms energy: -431.042530 where: bonds (distance) C4'-P energy: -91.781 bonds (distance) P-C4' energy: -93.477 flat angles C4'-P-C4' energy: -98.748 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -106.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1175.539911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.539911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.539911 (E_RNA) where: Base-Base interactions energy: -801.506 where: short stacking energy: -354.886 Base-Backbone interact. energy: 0.411 local terms energy: -374.445187 where: bonds (distance) C4'-P energy: -75.384 bonds (distance) P-C4' energy: -76.138 flat angles C4'-P-C4' energy: -90.095 flat angles P-C4'-P energy: -54.014 tors. eta vs tors. theta energy: -78.814 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: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1003.454131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.454131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.454131 (E_RNA) where: Base-Base interactions energy: -637.678 where: short stacking energy: -314.675 Base-Backbone interact. energy: -0.514 local terms energy: -365.262111 where: bonds (distance) C4'-P energy: -86.900 bonds (distance) P-C4' energy: -85.928 flat angles C4'-P-C4' energy: -73.253 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -72.393 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: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -743.303152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.303152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.303152 (E_RNA) where: Base-Base interactions energy: -429.367 where: short stacking energy: -209.118 Base-Backbone interact. energy: 0.241 local terms energy: -314.178028 where: bonds (distance) C4'-P energy: -86.387 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -90.411 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -19.907 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -625.049662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.049662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.049662 (E_RNA) where: Base-Base interactions energy: -339.219 where: short stacking energy: -188.335 Base-Backbone interact. energy: -2.438 local terms energy: -283.393016 where: bonds (distance) C4'-P energy: -79.385 bonds (distance) P-C4' energy: -84.123 flat angles C4'-P-C4' energy: -74.644 flat angles P-C4'-P energy: -33.155 tors. eta vs tors. theta energy: -12.086 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: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1714.811326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.811326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.811326 (E_RNA) where: Base-Base interactions energy: -1195.171 where: short stacking energy: -484.608 Base-Backbone interact. energy: -3.195 local terms energy: -516.445526 where: bonds (distance) C4'-P energy: -90.945 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -112.897 flat angles P-C4'-P energy: -79.375 tors. eta vs tors. theta energy: -138.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1670.484069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.484069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.484069 (E_RNA) where: Base-Base interactions energy: -1168.581 where: short stacking energy: -482.376 Base-Backbone interact. energy: -2.455 local terms energy: -499.447863 where: bonds (distance) C4'-P energy: -82.733 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -105.683 flat angles P-C4'-P energy: -67.404 tors. eta vs tors. theta energy: -140.735 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: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1589.018920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.018920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.018920 (E_RNA) where: Base-Base interactions energy: -1100.086 where: short stacking energy: -488.002 Base-Backbone interact. energy: -0.319 local terms energy: -488.613622 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -96.884 flat angles C4'-P-C4' energy: -102.096 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -145.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1451.066740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.066740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.066740 (E_RNA) where: Base-Base interactions energy: -1010.373 where: short stacking energy: -433.609 Base-Backbone interact. energy: 0.787 local terms energy: -441.481037 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -85.301 flat angles C4'-P-C4' energy: -92.143 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -103.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1452.816516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.816516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.816516 (E_RNA) where: Base-Base interactions energy: -999.462 where: short stacking energy: -422.906 Base-Backbone interact. energy: 0.685 local terms energy: -454.040263 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -95.654 flat angles C4'-P-C4' energy: -88.449 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -129.094 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: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1321.297401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.297401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.297401 (E_RNA) where: Base-Base interactions energy: -890.978 where: short stacking energy: -400.070 Base-Backbone interact. energy: -0.870 local terms energy: -429.449211 where: bonds (distance) C4'-P energy: -88.239 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -63.140 tors. eta vs tors. theta energy: -104.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1112.754147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.754147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.754147 (E_RNA) where: Base-Base interactions energy: -720.106 where: short stacking energy: -320.901 Base-Backbone interact. energy: 1.414 local terms energy: -394.062349 where: bonds (distance) C4'-P energy: -80.069 bonds (distance) P-C4' energy: -80.243 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: -79.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -990.423244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.423244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.423244 (E_RNA) where: Base-Base interactions energy: -618.582 where: short stacking energy: -308.048 Base-Backbone interact. energy: -2.603 local terms energy: -369.237875 where: bonds (distance) C4'-P energy: -83.566 bonds (distance) P-C4' energy: -84.170 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: -60.870 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: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -865.069294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.069294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.069294 (E_RNA) where: Base-Base interactions energy: -542.080 where: short stacking energy: -247.786 Base-Backbone interact. energy: -2.855 local terms energy: -320.133908 where: bonds (distance) C4'-P energy: -71.601 bonds (distance) P-C4' energy: -99.480 flat angles C4'-P-C4' energy: -62.205 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -36.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -635.399728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.399728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.399728 (E_RNA) where: Base-Base interactions energy: -360.371 where: short stacking energy: -186.892 Base-Backbone interact. energy: 0.216 local terms energy: -275.244685 where: bonds (distance) C4'-P energy: -68.456 bonds (distance) P-C4' energy: -76.063 flat angles C4'-P-C4' energy: -69.013 flat angles P-C4'-P energy: -48.840 tors. eta vs tors. theta energy: -12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1698.702482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.702482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.702482 (E_RNA) where: Base-Base interactions energy: -1188.148 where: short stacking energy: -494.322 Base-Backbone interact. energy: -1.790 local terms energy: -508.764924 where: bonds (distance) C4'-P energy: -102.988 bonds (distance) P-C4' energy: -94.862 flat angles C4'-P-C4' energy: -98.637 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -136.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1660.303394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.303394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.303394 (E_RNA) where: Base-Base interactions energy: -1142.302 where: short stacking energy: -478.364 Base-Backbone interact. energy: 2.996 local terms energy: -520.997502 where: bonds (distance) C4'-P energy: -95.203 bonds (distance) P-C4' energy: -107.261 flat angles C4'-P-C4' energy: -106.379 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -136.876 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: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1613.072978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.072978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.072978 (E_RNA) where: Base-Base interactions energy: -1121.351 where: short stacking energy: -492.237 Base-Backbone interact. energy: -2.367 local terms energy: -489.354557 where: bonds (distance) C4'-P energy: -89.210 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -100.295 flat angles P-C4'-P energy: -80.620 tors. eta vs tors. theta energy: -136.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1495.972456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.972456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.972456 (E_RNA) where: Base-Base interactions energy: -1046.414 where: short stacking energy: -457.675 Base-Backbone interact. energy: 1.635 local terms energy: -451.193308 where: bonds (distance) C4'-P energy: -85.315 bonds (distance) P-C4' energy: -77.563 flat angles C4'-P-C4' energy: -100.671 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: -117.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1447.757081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.757081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.757081 (E_RNA) where: Base-Base interactions energy: -1004.641 where: short stacking energy: -426.696 Base-Backbone interact. energy: -3.746 local terms energy: -439.370144 where: bonds (distance) C4'-P energy: -93.556 bonds (distance) P-C4' energy: -80.214 flat angles C4'-P-C4' energy: -92.967 flat angles P-C4'-P energy: -67.532 tors. eta vs tors. theta energy: -105.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1259.754509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.754509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.754509 (E_RNA) where: Base-Base interactions energy: -840.517 where: short stacking energy: -355.588 Base-Backbone interact. energy: -0.328 local terms energy: -418.909970 where: bonds (distance) C4'-P energy: -82.155 bonds (distance) P-C4' energy: -90.355 flat angles C4'-P-C4' energy: -93.631 flat angles P-C4'-P energy: -66.641 tors. eta vs tors. theta energy: -86.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1084.277359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.277359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.277359 (E_RNA) where: Base-Base interactions energy: -697.300 where: short stacking energy: -303.222 Base-Backbone interact. energy: -0.763 local terms energy: -386.214666 where: bonds (distance) C4'-P energy: -71.303 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -99.794 flat angles P-C4'-P energy: -55.433 tors. eta vs tors. theta energy: -66.378 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: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -987.955988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.955988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.955988 (E_RNA) where: Base-Base interactions energy: -613.565 where: short stacking energy: -307.347 Base-Backbone interact. energy: -0.717 local terms energy: -373.673972 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -86.070 flat angles C4'-P-C4' energy: -79.938 flat angles P-C4'-P energy: -55.430 tors. eta vs tors. theta energy: -63.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -852.719259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.719259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.719259 (E_RNA) where: Base-Base interactions energy: -520.275 where: short stacking energy: -247.538 Base-Backbone interact. energy: -1.512 local terms energy: -330.932130 where: bonds (distance) C4'-P energy: -75.203 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -82.379 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -46.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -628.919583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.919583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.919583 (E_RNA) where: Base-Base interactions energy: -351.615 where: short stacking energy: -178.455 Base-Backbone interact. energy: -0.680 local terms energy: -276.624761 where: bonds (distance) C4'-P energy: -71.699 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -84.892 flat angles P-C4'-P energy: -28.980 tors. eta vs tors. theta energy: -6.504 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: 142 Temperature: 0.900000 Total energy: -1707.017842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.017842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.017842 (E_RNA) where: Base-Base interactions energy: -1184.423 where: short stacking energy: -523.854 Base-Backbone interact. energy: -0.737 local terms energy: -521.857328 where: bonds (distance) C4'-P energy: -93.425 bonds (distance) P-C4' energy: -100.363 flat angles C4'-P-C4' energy: -107.477 flat angles P-C4'-P energy: -72.841 tors. eta vs tors. theta energy: -147.751 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: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1659.978244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.978244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.978244 (E_RNA) where: Base-Base interactions energy: -1155.924 where: short stacking energy: -490.918 Base-Backbone interact. energy: 2.635 local terms energy: -506.689269 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -100.764 flat angles C4'-P-C4' energy: -104.137 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -138.246 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: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1625.824977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.824977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.824977 (E_RNA) where: Base-Base interactions energy: -1146.281 where: short stacking energy: -503.024 Base-Backbone interact. energy: -2.348 local terms energy: -477.196523 where: bonds (distance) C4'-P energy: -85.111 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -94.829 flat angles P-C4'-P energy: -64.760 tors. eta vs tors. theta energy: -142.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1484.050390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.050390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.050390 (E_RNA) where: Base-Base interactions energy: -1019.177 where: short stacking energy: -436.748 Base-Backbone interact. energy: 1.060 local terms energy: -465.933419 where: bonds (distance) C4'-P energy: -94.838 bonds (distance) P-C4' energy: -98.144 flat angles C4'-P-C4' energy: -97.121 flat angles P-C4'-P energy: -57.264 tors. eta vs tors. theta energy: -118.566 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: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1432.105395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.105395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.105395 (E_RNA) where: Base-Base interactions energy: -978.235 where: short stacking energy: -405.506 Base-Backbone interact. energy: -1.538 local terms energy: -452.331993 where: bonds (distance) C4'-P energy: -89.572 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -88.669 flat angles P-C4'-P energy: -67.614 tors. eta vs tors. theta energy: -111.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1203.280661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.280661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.280661 (E_RNA) where: Base-Base interactions energy: -776.352 where: short stacking energy: -345.419 Base-Backbone interact. energy: -3.696 local terms energy: -423.231866 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -97.494 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -63.280 tors. eta vs tors. theta energy: -82.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1113.337236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.337236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.337236 (E_RNA) where: Base-Base interactions energy: -702.489 where: short stacking energy: -316.428 Base-Backbone interact. energy: 1.994 local terms energy: -412.842079 where: bonds (distance) C4'-P energy: -93.780 bonds (distance) P-C4' energy: -96.711 flat angles C4'-P-C4' energy: -94.471 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -68.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1012.462393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.462393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.462393 (E_RNA) where: Base-Base interactions energy: -641.488 where: short stacking energy: -317.325 Base-Backbone interact. energy: 0.436 local terms energy: -371.410858 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -76.259 flat angles C4'-P-C4' energy: -94.043 flat angles P-C4'-P energy: -62.804 tors. eta vs tors. theta energy: -76.118 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -865.534513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.534513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.534513 (E_RNA) where: Base-Base interactions energy: -545.947 where: short stacking energy: -233.647 Base-Backbone interact. energy: -3.664 local terms energy: -315.923721 where: bonds (distance) C4'-P energy: -64.493 bonds (distance) P-C4' energy: -93.383 flat angles C4'-P-C4' energy: -77.401 flat angles P-C4'-P energy: -51.205 tors. eta vs tors. theta energy: -29.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -570.574357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.574357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.574357 (E_RNA) where: Base-Base interactions energy: -327.283 where: short stacking energy: -156.474 Base-Backbone interact. energy: 1.068 local terms energy: -244.358575 where: bonds (distance) C4'-P energy: -68.391 bonds (distance) P-C4' energy: -80.314 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -39.599 tors. eta vs tors. theta energy: 10.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1704.160595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.160595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.160595 (E_RNA) where: Base-Base interactions energy: -1186.556 where: short stacking energy: -507.502 Base-Backbone interact. energy: -2.978 local terms energy: -514.626720 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -109.260 flat angles C4'-P-C4' energy: -108.829 flat angles P-C4'-P energy: -65.473 tors. eta vs tors. theta energy: -137.805 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: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1667.018748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.018748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.018748 (E_RNA) where: Base-Base interactions energy: -1168.315 where: short stacking energy: -488.711 Base-Backbone interact. energy: -0.389 local terms energy: -498.315209 where: bonds (distance) C4'-P energy: -82.189 bonds (distance) P-C4' energy: -98.568 flat angles C4'-P-C4' energy: -114.060 flat angles P-C4'-P energy: -63.585 tors. eta vs tors. theta energy: -139.913 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1584.539344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.539344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.539344 (E_RNA) where: Base-Base interactions energy: -1105.380 where: short stacking energy: -479.937 Base-Backbone interact. energy: -2.922 local terms energy: -476.237328 where: bonds (distance) C4'-P energy: -80.435 bonds (distance) P-C4' energy: -104.259 flat angles C4'-P-C4' energy: -102.456 flat angles P-C4'-P energy: -61.012 tors. eta vs tors. theta energy: -128.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1453.638787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.638787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.638787 (E_RNA) where: Base-Base interactions energy: -1020.758 where: short stacking energy: -402.612 Base-Backbone interact. energy: -2.419 local terms energy: -430.462122 where: bonds (distance) C4'-P energy: -87.210 bonds (distance) P-C4' energy: -88.620 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -55.353 tors. eta vs tors. theta energy: -94.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1447.291973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.291973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.291973 (E_RNA) where: Base-Base interactions energy: -998.509 where: short stacking energy: -420.032 Base-Backbone interact. energy: -0.001 local terms energy: -448.782100 where: bonds (distance) C4'-P energy: -84.360 bonds (distance) P-C4' energy: -85.568 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: -101.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1253.124493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.124493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.124493 (E_RNA) where: Base-Base interactions energy: -838.812 where: short stacking energy: -369.649 Base-Backbone interact. energy: -2.731 local terms energy: -411.581952 where: bonds (distance) C4'-P energy: -81.261 bonds (distance) P-C4' energy: -82.691 flat angles C4'-P-C4' energy: -92.385 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -92.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1132.610907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.610907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.610907 (E_RNA) where: Base-Base interactions energy: -737.354 where: short stacking energy: -339.995 Base-Backbone interact. energy: -0.977 local terms energy: -394.279834 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -91.852 flat angles C4'-P-C4' energy: -97.818 flat angles P-C4'-P energy: -58.927 tors. eta vs tors. theta energy: -62.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -989.754681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.754681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.754681 (E_RNA) where: Base-Base interactions energy: -632.269 where: short stacking energy: -287.963 Base-Backbone interact. energy: -2.758 local terms energy: -354.727774 where: bonds (distance) C4'-P energy: -69.052 bonds (distance) P-C4' energy: -97.438 flat angles C4'-P-C4' energy: -82.163 flat angles P-C4'-P energy: -53.928 tors. eta vs tors. theta energy: -52.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -949.801416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.801416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.801416 (E_RNA) where: Base-Base interactions energy: -600.879 where: short stacking energy: -265.363 Base-Backbone interact. energy: -0.156 local terms energy: -348.766613 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -79.598 flat angles C4'-P-C4' energy: -87.293 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -42.789 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: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -620.022121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.022121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.022121 (E_RNA) where: Base-Base interactions energy: -325.581 where: short stacking energy: -192.441 Base-Backbone interact. energy: -1.866 local terms energy: -292.575509 where: bonds (distance) C4'-P energy: -77.078 bonds (distance) P-C4' energy: -91.143 flat angles C4'-P-C4' energy: -74.638 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -10.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1731.169879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.169879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.169879 (E_RNA) where: Base-Base interactions energy: -1218.480 where: short stacking energy: -523.217 Base-Backbone interact. energy: -2.057 local terms energy: -510.632444 where: bonds (distance) C4'-P energy: -83.125 bonds (distance) P-C4' energy: -102.061 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -72.464 tors. eta vs tors. theta energy: -147.723 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: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1650.915243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.915243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.915243 (E_RNA) where: Base-Base interactions energy: -1133.657 where: short stacking energy: -478.001 Base-Backbone interact. energy: -1.221 local terms energy: -516.037635 where: bonds (distance) C4'-P energy: -99.522 bonds (distance) P-C4' energy: -97.652 flat angles C4'-P-C4' energy: -115.257 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -132.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1588.828859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.828859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.828859 (E_RNA) where: Base-Base interactions energy: -1090.585 where: short stacking energy: -492.373 Base-Backbone interact. energy: -2.991 local terms energy: -495.252898 where: bonds (distance) C4'-P energy: -92.978 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -103.677 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -146.127 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: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1501.638730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.638730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.638730 (E_RNA) where: Base-Base interactions energy: -1030.411 where: short stacking energy: -425.669 Base-Backbone interact. energy: -2.922 local terms energy: -468.305822 where: bonds (distance) C4'-P energy: -92.672 bonds (distance) P-C4' energy: -88.702 flat angles C4'-P-C4' energy: -102.428 flat angles P-C4'-P energy: -65.681 tors. eta vs tors. theta energy: -118.822 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: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1325.074413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.074413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.074413 (E_RNA) where: Base-Base interactions energy: -897.366 where: short stacking energy: -398.444 Base-Backbone interact. energy: -5.053 local terms energy: -422.655013 where: bonds (distance) C4'-P energy: -91.475 bonds (distance) P-C4' energy: -85.287 flat angles C4'-P-C4' energy: -83.101 flat angles P-C4'-P energy: -70.610 tors. eta vs tors. theta energy: -92.182 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: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1388.594711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.594711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.594711 (E_RNA) where: Base-Base interactions energy: -936.455 where: short stacking energy: -416.718 Base-Backbone interact. energy: -4.022 local terms energy: -448.117224 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -73.251 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -101.365 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: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1106.144955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.144955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.144955 (E_RNA) where: Base-Base interactions energy: -737.916 where: short stacking energy: -326.134 Base-Backbone interact. energy: -0.382 local terms energy: -367.847065 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -87.078 flat angles P-C4'-P energy: -51.862 tors. eta vs tors. theta energy: -59.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1055.878860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.878860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.878860 (E_RNA) where: Base-Base interactions energy: -678.248 where: short stacking energy: -308.117 Base-Backbone interact. energy: -2.570 local terms energy: -375.060709 where: bonds (distance) C4'-P energy: -72.165 bonds (distance) P-C4' energy: -80.574 flat angles C4'-P-C4' energy: -86.248 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -81.855 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -951.651200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.651200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.651200 (E_RNA) where: Base-Base interactions energy: -597.964 where: short stacking energy: -250.792 Base-Backbone interact. energy: -1.397 local terms energy: -352.289512 where: bonds (distance) C4'-P energy: -92.413 bonds (distance) P-C4' energy: -86.267 flat angles C4'-P-C4' energy: -76.667 flat angles P-C4'-P energy: -57.687 tors. eta vs tors. theta energy: -39.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -627.041249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.041249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.041249 (E_RNA) where: Base-Base interactions energy: -350.552 where: short stacking energy: -167.340 Base-Backbone interact. energy: -2.038 local terms energy: -274.451683 where: bonds (distance) C4'-P energy: -70.596 bonds (distance) P-C4' energy: -89.295 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -43.023 tors. eta vs tors. theta energy: -4.401 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: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1697.637396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.637396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.637396 (E_RNA) where: Base-Base interactions energy: -1189.923 where: short stacking energy: -482.459 Base-Backbone interact. energy: -4.520 local terms energy: -503.194735 where: bonds (distance) C4'-P energy: -104.496 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -95.569 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -139.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1656.919510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.919510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.919510 (E_RNA) where: Base-Base interactions energy: -1156.955 where: short stacking energy: -478.638 Base-Backbone interact. energy: -2.455 local terms energy: -497.508890 where: bonds (distance) C4'-P energy: -92.951 bonds (distance) P-C4' energy: -87.308 flat angles C4'-P-C4' energy: -109.044 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -132.660 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: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1601.643702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.643702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.643702 (E_RNA) where: Base-Base interactions energy: -1117.533 where: short stacking energy: -497.768 Base-Backbone interact. energy: -2.045 local terms energy: -482.065728 where: bonds (distance) C4'-P energy: -93.408 bonds (distance) P-C4' energy: -82.887 flat angles C4'-P-C4' energy: -98.508 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: -139.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1453.544369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.544369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.544369 (E_RNA) where: Base-Base interactions energy: -1010.517 where: short stacking energy: -430.454 Base-Backbone interact. energy: -2.590 local terms energy: -440.437374 where: bonds (distance) C4'-P energy: -78.745 bonds (distance) P-C4' energy: -88.933 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: -108.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1396.040746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.040746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.040746 (E_RNA) where: Base-Base interactions energy: -941.119 where: short stacking energy: -452.512 Base-Backbone interact. energy: -2.011 local terms energy: -452.911442 where: bonds (distance) C4'-P energy: -71.209 bonds (distance) P-C4' energy: -91.505 flat angles C4'-P-C4' energy: -101.626 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -123.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1390.227696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.227696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.227696 (E_RNA) where: Base-Base interactions energy: -968.454 where: short stacking energy: -423.389 Base-Backbone interact. energy: -2.112 local terms energy: -419.662530 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -81.228 flat angles C4'-P-C4' energy: -97.133 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -109.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1090.537072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.537072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.537072 (E_RNA) where: Base-Base interactions energy: -711.874 where: short stacking energy: -322.520 Base-Backbone interact. energy: -3.278 local terms energy: -375.385377 where: bonds (distance) C4'-P energy: -73.050 bonds (distance) P-C4' energy: -83.803 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -65.009 tors. eta vs tors. theta energy: -69.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1060.951751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.951751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.951751 (E_RNA) where: Base-Base interactions energy: -679.392 where: short stacking energy: -303.845 Base-Backbone interact. energy: -1.915 local terms energy: -379.645062 where: bonds (distance) C4'-P energy: -77.327 bonds (distance) P-C4' energy: -89.834 flat angles C4'-P-C4' energy: -93.415 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -64.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -979.409180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.409180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.409180 (E_RNA) where: Base-Base interactions energy: -627.960 where: short stacking energy: -261.874 Base-Backbone interact. energy: -2.240 local terms energy: -349.208649 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -72.914 flat angles C4'-P-C4' energy: -77.841 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -58.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -592.283214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.283214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.283214 (E_RNA) where: Base-Base interactions energy: -294.719 where: short stacking energy: -177.785 Base-Backbone interact. energy: -3.876 local terms energy: -293.688585 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -82.480 flat angles P-C4'-P energy: -30.831 tors. eta vs tors. theta energy: -23.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1699.051251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.051251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.051251 (E_RNA) where: Base-Base interactions energy: -1187.370 where: short stacking energy: -489.977 Base-Backbone interact. energy: -3.892 local terms energy: -507.789356 where: bonds (distance) C4'-P energy: -94.016 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -111.482 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -133.455 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: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1674.718468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.718468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.718468 (E_RNA) where: Base-Base interactions energy: -1163.982 where: short stacking energy: -467.098 Base-Backbone interact. energy: -3.161 local terms energy: -507.576151 where: bonds (distance) C4'-P energy: -100.641 bonds (distance) P-C4' energy: -92.898 flat angles C4'-P-C4' energy: -104.627 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -137.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1602.078615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.078615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.078615 (E_RNA) where: Base-Base interactions energy: -1095.857 where: short stacking energy: -484.981 Base-Backbone interact. energy: -5.102 local terms energy: -501.120200 where: bonds (distance) C4'-P energy: -91.000 bonds (distance) P-C4' energy: -94.302 flat angles C4'-P-C4' energy: -106.981 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -144.135 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: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1434.711285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.711285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.711285 (E_RNA) where: Base-Base interactions energy: -984.616 where: short stacking energy: -400.971 Base-Backbone interact. energy: -2.521 local terms energy: -447.573786 where: bonds (distance) C4'-P energy: -92.499 bonds (distance) P-C4' energy: -96.166 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -99.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1449.580252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.580252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.580252 (E_RNA) where: Base-Base interactions energy: -1002.863 where: short stacking energy: -425.528 Base-Backbone interact. energy: -3.566 local terms energy: -443.150735 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -98.126 flat angles C4'-P-C4' energy: -98.064 flat angles P-C4'-P energy: -62.183 tors. eta vs tors. theta energy: -111.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1338.137583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.137583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.137583 (E_RNA) where: Base-Base interactions energy: -916.257 where: short stacking energy: -387.202 Base-Backbone interact. energy: -3.304 local terms energy: -418.576339 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -79.232 flat angles C4'-P-C4' energy: -95.252 flat angles P-C4'-P energy: -60.176 tors. eta vs tors. theta energy: -97.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1093.935287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.935287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.935287 (E_RNA) where: Base-Base interactions energy: -718.995 where: short stacking energy: -314.913 Base-Backbone interact. energy: -0.752 local terms energy: -374.188708 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -84.134 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -60.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1082.817933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.817933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.817933 (E_RNA) where: Base-Base interactions energy: -704.592 where: short stacking energy: -331.944 Base-Backbone interact. energy: 0.675 local terms energy: -378.901147 where: bonds (distance) C4'-P energy: -85.184 bonds (distance) P-C4' energy: -81.822 flat angles C4'-P-C4' energy: -91.673 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -68.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1012.690907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.690907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.690907 (E_RNA) where: Base-Base interactions energy: -659.609 where: short stacking energy: -299.146 Base-Backbone interact. energy: 2.269 local terms energy: -355.351602 where: bonds (distance) C4'-P energy: -85.931 bonds (distance) P-C4' energy: -82.223 flat angles C4'-P-C4' energy: -81.110 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -65.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -580.653372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.653372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.653372 (E_RNA) where: Base-Base interactions energy: -303.144 where: short stacking energy: -150.750 Base-Backbone interact. energy: 0.193 local terms energy: -277.702517 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -87.255 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -31.601 tors. eta vs tors. theta energy: 4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1694.456554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.456554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.456554 (E_RNA) where: Base-Base interactions energy: -1189.537 where: short stacking energy: -469.822 Base-Backbone interact. energy: -2.154 local terms energy: -502.765791 where: bonds (distance) C4'-P energy: -90.063 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -102.147 flat angles P-C4'-P energy: -76.960 tors. eta vs tors. theta energy: -131.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1661.520309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.520309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.520309 (E_RNA) where: Base-Base interactions energy: -1151.094 where: short stacking energy: -463.699 Base-Backbone interact. energy: -3.897 local terms energy: -506.529180 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -101.699 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -143.139 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: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1629.225745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.225745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.225745 (E_RNA) where: Base-Base interactions energy: -1107.167 where: short stacking energy: -497.647 Base-Backbone interact. energy: -2.706 local terms energy: -519.352881 where: bonds (distance) C4'-P energy: -101.612 bonds (distance) P-C4' energy: -92.226 flat angles C4'-P-C4' energy: -109.785 flat angles P-C4'-P energy: -71.810 tors. eta vs tors. theta energy: -143.920 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: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1446.997831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.997831 (E_RNA) where: Base-Base interactions energy: -1003.767 where: short stacking energy: -407.117 Base-Backbone interact. energy: -1.342 local terms energy: -441.888163 where: bonds (distance) C4'-P energy: -80.702 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -104.197 flat angles P-C4'-P energy: -60.442 tors. eta vs tors. theta energy: -108.266 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: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1409.055052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.055052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.055052 (E_RNA) where: Base-Base interactions energy: -952.940 where: short stacking energy: -410.972 Base-Backbone interact. energy: -0.968 local terms energy: -455.147623 where: bonds (distance) C4'-P energy: -86.871 bonds (distance) P-C4' energy: -98.063 flat angles C4'-P-C4' energy: -96.106 flat angles P-C4'-P energy: -51.203 tors. eta vs tors. theta energy: -122.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1332.709619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.709619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.709619 (E_RNA) where: Base-Base interactions energy: -901.865 where: short stacking energy: -378.998 Base-Backbone interact. energy: -0.725 local terms energy: -430.119682 where: bonds (distance) C4'-P energy: -84.358 bonds (distance) P-C4' energy: -89.480 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -103.429 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: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1079.481975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.481975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.481975 (E_RNA) where: Base-Base interactions energy: -712.644 where: short stacking energy: -312.182 Base-Backbone interact. energy: -1.074 local terms energy: -365.763939 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -79.209 flat angles C4'-P-C4' energy: -81.848 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -69.541 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: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1079.461961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.461961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.461961 (E_RNA) where: Base-Base interactions energy: -690.747 where: short stacking energy: -328.071 Base-Backbone interact. energy: -0.721 local terms energy: -387.994304 where: bonds (distance) C4'-P energy: -82.382 bonds (distance) P-C4' energy: -79.458 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -77.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -981.644622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.644622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.644622 (E_RNA) where: Base-Base interactions energy: -650.442 where: short stacking energy: -285.955 Base-Backbone interact. energy: 0.571 local terms energy: -331.774251 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -72.066 flat angles C4'-P-C4' energy: -88.184 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -45.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -564.973127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.973127 (E_RNA) where: Base-Base interactions energy: -289.930 where: short stacking energy: -171.094 Base-Backbone interact. energy: 0.833 local terms energy: -275.875476 where: bonds (distance) C4'-P energy: -73.512 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -11.841 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: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1698.207686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.207686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.207686 (E_RNA) where: Base-Base interactions energy: -1193.225 where: short stacking energy: -490.947 Base-Backbone interact. energy: -2.832 local terms energy: -502.151035 where: bonds (distance) C4'-P energy: -92.054 bonds (distance) P-C4' energy: -89.410 flat angles C4'-P-C4' energy: -109.203 flat angles P-C4'-P energy: -68.439 tors. eta vs tors. theta energy: -143.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1644.488395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.488395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.488395 (E_RNA) where: Base-Base interactions energy: -1139.905 where: short stacking energy: -495.402 Base-Backbone interact. energy: 1.813 local terms energy: -506.396012 where: bonds (distance) C4'-P energy: -95.384 bonds (distance) P-C4' energy: -102.236 flat angles C4'-P-C4' energy: -102.179 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -142.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1635.986830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.986830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.986830 (E_RNA) where: Base-Base interactions energy: -1110.786 where: short stacking energy: -475.425 Base-Backbone interact. energy: -3.588 local terms energy: -521.612480 where: bonds (distance) C4'-P energy: -101.011 bonds (distance) P-C4' energy: -97.994 flat angles C4'-P-C4' energy: -119.639 flat angles P-C4'-P energy: -75.682 tors. eta vs tors. theta energy: -127.287 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1480.131954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.131954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.131954 (E_RNA) where: Base-Base interactions energy: -1018.103 where: short stacking energy: -420.682 Base-Backbone interact. energy: -3.063 local terms energy: -458.966360 where: bonds (distance) C4'-P energy: -87.011 bonds (distance) P-C4' energy: -91.976 flat angles C4'-P-C4' energy: -99.516 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: -107.969 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: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1435.773513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.773513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.773513 (E_RNA) where: Base-Base interactions energy: -996.193 where: short stacking energy: -420.852 Base-Backbone interact. energy: -3.308 local terms energy: -436.272432 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -102.042 flat angles P-C4'-P energy: -60.668 tors. eta vs tors. theta energy: -111.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1320.864765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.864765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.864765 (E_RNA) where: Base-Base interactions energy: -865.583 where: short stacking energy: -364.822 Base-Backbone interact. energy: -2.217 local terms energy: -453.064699 where: bonds (distance) C4'-P energy: -106.636 bonds (distance) P-C4' energy: -90.504 flat angles C4'-P-C4' energy: -97.245 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -99.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1129.695444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.695444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.695444 (E_RNA) where: Base-Base interactions energy: -762.258 where: short stacking energy: -350.033 Base-Backbone interact. energy: 3.871 local terms energy: -371.308036 where: bonds (distance) C4'-P energy: -76.004 bonds (distance) P-C4' energy: -92.473 flat angles C4'-P-C4' energy: -75.307 flat angles P-C4'-P energy: -45.797 tors. eta vs tors. theta energy: -81.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1013.486995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.486995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.486995 (E_RNA) where: Base-Base interactions energy: -658.444 where: short stacking energy: -290.062 Base-Backbone interact. energy: -2.680 local terms energy: -352.363160 where: bonds (distance) C4'-P energy: -72.332 bonds (distance) P-C4' energy: -83.510 flat angles C4'-P-C4' energy: -86.782 flat angles P-C4'-P energy: -55.768 tors. eta vs tors. theta energy: -53.972 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: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1009.682363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.682363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.682363 (E_RNA) where: Base-Base interactions energy: -672.116 where: short stacking energy: -298.143 Base-Backbone interact. energy: -3.951 local terms energy: -333.614846 where: bonds (distance) C4'-P energy: -81.721 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -38.804 tors. eta vs tors. theta energy: -64.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -571.657294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.657294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.657294 (E_RNA) where: Base-Base interactions energy: -296.188 where: short stacking energy: -189.768 Base-Backbone interact. energy: -0.120 local terms energy: -275.349669 where: bonds (distance) C4'-P energy: -59.640 bonds (distance) P-C4' energy: -79.403 flat angles C4'-P-C4' energy: -80.378 flat angles P-C4'-P energy: -42.557 tors. eta vs tors. theta energy: -13.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1701.312821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.312821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.312821 (E_RNA) where: Base-Base interactions energy: -1186.466 where: short stacking energy: -484.287 Base-Backbone interact. energy: 3.649 local terms energy: -518.496613 where: bonds (distance) C4'-P energy: -101.203 bonds (distance) P-C4' energy: -109.006 flat angles C4'-P-C4' energy: -106.876 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: -136.468 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: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1671.792415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.792415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.792415 (E_RNA) where: Base-Base interactions energy: -1172.308 where: short stacking energy: -462.083 Base-Backbone interact. energy: -2.668 local terms energy: -496.816328 where: bonds (distance) C4'-P energy: -103.293 bonds (distance) P-C4' energy: -89.231 flat angles C4'-P-C4' energy: -95.823 flat angles P-C4'-P energy: -65.275 tors. eta vs tors. theta energy: -143.196 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: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1607.747041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.747041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.747041 (E_RNA) where: Base-Base interactions energy: -1107.157 where: short stacking energy: -491.429 Base-Backbone interact. energy: -3.992 local terms energy: -496.598201 where: bonds (distance) C4'-P energy: -94.538 bonds (distance) P-C4' energy: -87.806 flat angles C4'-P-C4' energy: -110.857 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: -131.251 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: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1495.742278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.742278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.742278 (E_RNA) where: Base-Base interactions energy: -1016.570 where: short stacking energy: -468.198 Base-Backbone interact. energy: -0.192 local terms energy: -478.980344 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -80.327 flat angles C4'-P-C4' energy: -101.884 flat angles P-C4'-P energy: -67.611 tors. eta vs tors. theta energy: -135.995 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: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1387.268185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.268185 (E_RNA) where: Base-Base interactions energy: -978.449 where: short stacking energy: -400.179 Base-Backbone interact. energy: -1.981 local terms energy: -406.838972 where: bonds (distance) C4'-P energy: -90.703 bonds (distance) P-C4' energy: -83.190 flat angles C4'-P-C4' energy: -96.271 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -87.954 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: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1263.633217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.633217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.633217 (E_RNA) where: Base-Base interactions energy: -827.320 where: short stacking energy: -368.500 Base-Backbone interact. energy: -4.295 local terms energy: -432.018061 where: bonds (distance) C4'-P energy: -80.841 bonds (distance) P-C4' energy: -90.826 flat angles C4'-P-C4' energy: -96.799 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -102.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1140.332107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.332107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.332107 (E_RNA) where: Base-Base interactions energy: -750.155 where: short stacking energy: -337.942 Base-Backbone interact. energy: -0.764 local terms energy: -389.413402 where: bonds (distance) C4'-P energy: -80.825 bonds (distance) P-C4' energy: -95.553 flat angles C4'-P-C4' energy: -75.180 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: -75.575 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: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1016.916712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.916712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.916712 (E_RNA) where: Base-Base interactions energy: -643.527 where: short stacking energy: -303.044 Base-Backbone interact. energy: -3.443 local terms energy: -369.946742 where: bonds (distance) C4'-P energy: -80.829 bonds (distance) P-C4' energy: -89.691 flat angles C4'-P-C4' energy: -85.965 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -58.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -978.640251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.640251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.640251 (E_RNA) where: Base-Base interactions energy: -643.527 where: short stacking energy: -310.549 Base-Backbone interact. energy: 0.533 local terms energy: -335.646490 where: bonds (distance) C4'-P energy: -66.755 bonds (distance) P-C4' energy: -93.364 flat angles C4'-P-C4' energy: -69.881 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -58.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -605.095739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.095739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.095739 (E_RNA) where: Base-Base interactions energy: -332.710 where: short stacking energy: -177.179 Base-Backbone interact. energy: -2.154 local terms energy: -270.232315 where: bonds (distance) C4'-P energy: -67.573 bonds (distance) P-C4' energy: -82.099 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1686.548831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.548831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.548831 (E_RNA) where: Base-Base interactions energy: -1164.264 where: short stacking energy: -484.532 Base-Backbone interact. energy: -3.002 local terms energy: -519.282656 where: bonds (distance) C4'-P energy: -96.236 bonds (distance) P-C4' energy: -105.956 flat angles C4'-P-C4' energy: -108.579 flat angles P-C4'-P energy: -69.763 tors. eta vs tors. theta energy: -138.750 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: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1692.913196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.913196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.913196 (E_RNA) where: Base-Base interactions energy: -1185.196 where: short stacking energy: -471.533 Base-Backbone interact. energy: -4.720 local terms energy: -502.996966 where: bonds (distance) C4'-P energy: -78.583 bonds (distance) P-C4' energy: -102.622 flat angles C4'-P-C4' energy: -111.595 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -135.154 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: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1604.636501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.636501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.636501 (E_RNA) where: Base-Base interactions energy: -1094.686 where: short stacking energy: -463.238 Base-Backbone interact. energy: -1.269 local terms energy: -508.681593 where: bonds (distance) C4'-P energy: -89.189 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -121.064 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -133.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1477.033992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.033992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.033992 (E_RNA) where: Base-Base interactions energy: -988.642 where: short stacking energy: -443.357 Base-Backbone interact. energy: 1.266 local terms energy: -489.658216 where: bonds (distance) C4'-P energy: -83.931 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -105.770 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -119.623 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: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1387.444397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.444397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.444397 (E_RNA) where: Base-Base interactions energy: -955.881 where: short stacking energy: -412.217 Base-Backbone interact. energy: -2.803 local terms energy: -428.760962 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -102.323 flat angles C4'-P-C4' energy: -94.881 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -95.316 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: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1264.420516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.420516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.420516 (E_RNA) where: Base-Base interactions energy: -857.982 where: short stacking energy: -384.052 Base-Backbone interact. energy: -0.964 local terms energy: -405.474159 where: bonds (distance) C4'-P energy: -80.364 bonds (distance) P-C4' energy: -82.530 flat angles C4'-P-C4' energy: -93.929 flat angles P-C4'-P energy: -54.844 tors. eta vs tors. theta energy: -93.807 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: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1137.902243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.902243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.902243 (E_RNA) where: Base-Base interactions energy: -751.442 where: short stacking energy: -350.135 Base-Backbone interact. energy: -2.235 local terms energy: -384.225328 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -75.283 flat angles C4'-P-C4' energy: -76.774 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -84.262 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: 150 Temperature: 1.250000 Total energy: -954.005298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.005298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.005298 (E_RNA) where: Base-Base interactions energy: -616.660 where: short stacking energy: -293.825 Base-Backbone interact. energy: 0.322 local terms energy: -337.667991 where: bonds (distance) C4'-P energy: -79.920 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -83.725 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -44.310 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: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1005.081632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.081632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.081632 (E_RNA) where: Base-Base interactions energy: -677.321 where: short stacking energy: -318.440 Base-Backbone interact. energy: -0.611 local terms energy: -327.149607 where: bonds (distance) C4'-P energy: -79.253 bonds (distance) P-C4' energy: -76.093 flat angles C4'-P-C4' energy: -75.202 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -53.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -521.710480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.710480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.710480 (E_RNA) where: Base-Base interactions energy: -215.522 where: short stacking energy: -152.376 Base-Backbone interact. energy: 2.510 local terms energy: -308.698031 where: bonds (distance) C4'-P energy: -71.217 bonds (distance) P-C4' energy: -85.306 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -38.892 tors. eta vs tors. theta energy: -20.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1679.447583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.447583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.447583 (E_RNA) where: Base-Base interactions energy: -1160.183 where: short stacking energy: -464.953 Base-Backbone interact. energy: -3.510 local terms energy: -515.754317 where: bonds (distance) C4'-P energy: -106.196 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -131.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1649.222696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.222696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.222696 (E_RNA) where: Base-Base interactions energy: -1143.907 where: short stacking energy: -490.982 Base-Backbone interact. energy: -0.003 local terms energy: -505.312402 where: bonds (distance) C4'-P energy: -83.474 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -81.290 tors. eta vs tors. theta energy: -139.272 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: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1590.281868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.281868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.281868 (E_RNA) where: Base-Base interactions energy: -1081.294 where: short stacking energy: -460.028 Base-Backbone interact. energy: -1.281 local terms energy: -507.707148 where: bonds (distance) C4'-P energy: -89.075 bonds (distance) P-C4' energy: -107.846 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -125.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1460.109406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.109406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.109406 (E_RNA) where: Base-Base interactions energy: -1000.519 where: short stacking energy: -411.215 Base-Backbone interact. energy: -0.683 local terms energy: -458.907313 where: bonds (distance) C4'-P energy: -94.381 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -96.204 flat angles P-C4'-P energy: -66.934 tors. eta vs tors. theta energy: -107.672 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: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1435.212496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.212496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.212496 (E_RNA) where: Base-Base interactions energy: -968.016 where: short stacking energy: -429.578 Base-Backbone interact. energy: -2.717 local terms energy: -464.479137 where: bonds (distance) C4'-P energy: -87.711 bonds (distance) P-C4' energy: -92.727 flat angles C4'-P-C4' energy: -105.045 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -119.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1273.586874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.586874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.586874 (E_RNA) where: Base-Base interactions energy: -861.844 where: short stacking energy: -362.489 Base-Backbone interact. energy: -2.202 local terms energy: -409.541106 where: bonds (distance) C4'-P energy: -93.404 bonds (distance) P-C4' energy: -76.582 flat angles C4'-P-C4' energy: -96.348 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -75.072 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: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1159.021842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.021842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.021842 (E_RNA) where: Base-Base interactions energy: -725.068 where: short stacking energy: -322.793 Base-Backbone interact. energy: -1.068 local terms energy: -432.886058 where: bonds (distance) C4'-P energy: -99.150 bonds (distance) P-C4' energy: -95.159 flat angles C4'-P-C4' energy: -100.198 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -81.718 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: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1015.374822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.374822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.374822 (E_RNA) where: Base-Base interactions energy: -660.450 where: short stacking energy: -306.840 Base-Backbone interact. energy: -2.947 local terms energy: -351.978194 where: bonds (distance) C4'-P energy: -82.362 bonds (distance) P-C4' energy: -81.723 flat angles C4'-P-C4' energy: -76.590 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -65.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -923.106942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.106942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.106942 (E_RNA) where: Base-Base interactions energy: -586.112 where: short stacking energy: -248.572 Base-Backbone interact. energy: -2.277 local terms energy: -334.717638 where: bonds (distance) C4'-P energy: -78.120 bonds (distance) P-C4' energy: -75.771 flat angles C4'-P-C4' energy: -79.455 flat angles P-C4'-P energy: -52.565 tors. eta vs tors. theta energy: -48.806 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: 10, replica: 5 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -542.281073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.281073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.281073 (E_RNA) where: Base-Base interactions energy: -272.484 where: short stacking energy: -169.495 Base-Backbone interact. energy: -4.007 local terms energy: -265.790009 where: bonds (distance) C4'-P energy: -78.552 bonds (distance) P-C4' energy: -69.063 flat angles C4'-P-C4' energy: -67.694 flat angles P-C4'-P energy: -53.033 tors. eta vs tors. theta energy: 2.553 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: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1723.346423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.346423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.346423 (E_RNA) where: Base-Base interactions energy: -1220.749 where: short stacking energy: -501.548 Base-Backbone interact. energy: -1.947 local terms energy: -500.650599 where: bonds (distance) C4'-P energy: -94.018 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -112.708 flat angles P-C4'-P energy: -64.470 tors. eta vs tors. theta energy: -134.294 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: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1657.788155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.788155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.788155 (E_RNA) where: Base-Base interactions energy: -1138.670 where: short stacking energy: -494.191 Base-Backbone interact. energy: -1.405 local terms energy: -517.713450 where: bonds (distance) C4'-P energy: -101.722 bonds (distance) P-C4' energy: -102.138 flat angles C4'-P-C4' energy: -110.278 flat angles P-C4'-P energy: -69.421 tors. eta vs tors. theta energy: -134.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1627.032469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.032469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.032469 (E_RNA) where: Base-Base interactions energy: -1127.061 where: short stacking energy: -469.700 Base-Backbone interact. energy: 0.238 local terms energy: -500.209373 where: bonds (distance) C4'-P energy: -93.241 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -111.384 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -142.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1457.022375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.022375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.022375 (E_RNA) where: Base-Base interactions energy: -993.413 where: short stacking energy: -427.022 Base-Backbone interact. energy: -1.453 local terms energy: -462.156491 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -93.377 flat angles C4'-P-C4' energy: -108.708 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: -114.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1388.598572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.598572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.598572 (E_RNA) where: Base-Base interactions energy: -926.252 where: short stacking energy: -395.796 Base-Backbone interact. energy: 2.805 local terms energy: -465.152004 where: bonds (distance) C4'-P energy: -99.036 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -107.863 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -107.527 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: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1285.790793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.790793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.790793 (E_RNA) where: Base-Base interactions energy: -854.787 where: short stacking energy: -372.325 Base-Backbone interact. energy: -1.552 local terms energy: -429.451440 where: bonds (distance) C4'-P energy: -95.725 bonds (distance) P-C4' energy: -74.555 flat angles C4'-P-C4' energy: -91.217 flat angles P-C4'-P energy: -73.408 tors. eta vs tors. theta energy: -94.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1137.097135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.097135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.097135 (E_RNA) where: Base-Base interactions energy: -735.717 where: short stacking energy: -347.246 Base-Backbone interact. energy: 1.052 local terms energy: -402.432692 where: bonds (distance) C4'-P energy: -77.849 bonds (distance) P-C4' energy: -90.257 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: -81.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1019.198671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.198671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.198671 (E_RNA) where: Base-Base interactions energy: -675.023 where: short stacking energy: -307.741 Base-Backbone interact. energy: 0.628 local terms energy: -344.803304 where: bonds (distance) C4'-P energy: -60.903 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -98.905 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -47.586 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: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -843.576027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.576027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.576027 (E_RNA) where: Base-Base interactions energy: -501.488 where: short stacking energy: -247.525 Base-Backbone interact. energy: 0.355 local terms energy: -342.442408 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -94.216 flat angles C4'-P-C4' energy: -76.608 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -49.637 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: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -596.149803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.149803 (E_RNA) where: Base-Base interactions energy: -327.961 where: short stacking energy: -177.928 Base-Backbone interact. energy: 3.319 local terms energy: -271.508025 where: bonds (distance) C4'-P energy: -73.838 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -68.504 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: 7.598 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: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1738.021867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.021867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.021867 (E_RNA) where: Base-Base interactions energy: -1225.125 where: short stacking energy: -489.800 Base-Backbone interact. energy: -1.302 local terms energy: -511.594671 where: bonds (distance) C4'-P energy: -99.063 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -111.870 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -136.434 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: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1642.684069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.684069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.684069 (E_RNA) where: Base-Base interactions energy: -1132.523 where: short stacking energy: -488.865 Base-Backbone interact. energy: -0.412 local terms energy: -509.749487 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -96.655 flat angles C4'-P-C4' energy: -111.232 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -134.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1605.423928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.423928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.423928 (E_RNA) where: Base-Base interactions energy: -1120.601 where: short stacking energy: -455.398 Base-Backbone interact. energy: -1.387 local terms energy: -483.436083 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -87.643 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -131.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1466.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.682591 (E_RNA) where: Base-Base interactions energy: -994.065 where: short stacking energy: -416.697 Base-Backbone interact. energy: -2.100 local terms energy: -470.516897 where: bonds (distance) C4'-P energy: -103.892 bonds (distance) P-C4' energy: -92.592 flat angles C4'-P-C4' energy: -102.489 flat angles P-C4'-P energy: -59.828 tors. eta vs tors. theta energy: -111.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1451.595390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.595390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.595390 (E_RNA) where: Base-Base interactions energy: -1001.524 where: short stacking energy: -452.078 Base-Backbone interact. energy: 0.461 local terms energy: -450.533353 where: bonds (distance) C4'-P energy: -76.039 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -104.420 flat angles P-C4'-P energy: -53.201 tors. eta vs tors. theta energy: -137.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1286.675047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.675047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.675047 (E_RNA) where: Base-Base interactions energy: -858.624 where: short stacking energy: -373.011 Base-Backbone interact. energy: 0.754 local terms energy: -428.805097 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -98.660 flat angles C4'-P-C4' energy: -87.493 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -96.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1112.674512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.674512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.674512 (E_RNA) where: Base-Base interactions energy: -740.667 where: short stacking energy: -333.633 Base-Backbone interact. energy: 2.472 local terms energy: -374.479382 where: bonds (distance) C4'-P energy: -79.000 bonds (distance) P-C4' energy: -74.413 flat angles C4'-P-C4' energy: -84.156 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -79.049 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: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1024.909152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.909152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.909152 (E_RNA) where: Base-Base interactions energy: -667.870 where: short stacking energy: -315.884 Base-Backbone interact. energy: 8.340 local terms energy: -365.379177 where: bonds (distance) C4'-P energy: -83.963 bonds (distance) P-C4' energy: -77.086 flat angles C4'-P-C4' energy: -78.758 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -65.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -798.106820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.106820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.106820 (E_RNA) where: Base-Base interactions energy: -464.022 where: short stacking energy: -245.621 Base-Backbone interact. energy: 0.136 local terms energy: -334.220146 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -85.087 flat angles C4'-P-C4' energy: -79.787 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -57.964 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: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -584.656949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.656949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.656949 (E_RNA) where: Base-Base interactions energy: -309.113 where: short stacking energy: -178.621 Base-Backbone interact. energy: 1.994 local terms energy: -277.538180 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -66.643 flat angles P-C4'-P energy: -45.325 tors. eta vs tors. theta energy: -17.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1757.473524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.473524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.473524 (E_RNA) where: Base-Base interactions energy: -1232.762 where: short stacking energy: -503.119 Base-Backbone interact. energy: -3.046 local terms energy: -521.665542 where: bonds (distance) C4'-P energy: -103.072 bonds (distance) P-C4' energy: -94.029 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -72.009 tors. eta vs tors. theta energy: -143.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1641.288493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.288493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.288493 (E_RNA) where: Base-Base interactions energy: -1132.771 where: short stacking energy: -495.153 Base-Backbone interact. energy: -2.108 local terms energy: -506.409192 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -93.826 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -71.162 tors. eta vs tors. theta energy: -135.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1603.778687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.778687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.778687 (E_RNA) where: Base-Base interactions energy: -1115.020 where: short stacking energy: -463.610 Base-Backbone interact. energy: -3.003 local terms energy: -485.756497 where: bonds (distance) C4'-P energy: -99.748 bonds (distance) P-C4' energy: -103.309 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -59.367 tors. eta vs tors. theta energy: -125.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1440.253798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.253798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.253798 (E_RNA) where: Base-Base interactions energy: -1004.029 where: short stacking energy: -399.737 Base-Backbone interact. energy: 1.954 local terms energy: -438.178768 where: bonds (distance) C4'-P energy: -92.385 bonds (distance) P-C4' energy: -90.635 flat angles C4'-P-C4' energy: -100.246 flat angles P-C4'-P energy: -53.514 tors. eta vs tors. theta energy: -101.399 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: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1438.499317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.499317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.499317 (E_RNA) where: Base-Base interactions energy: -968.094 where: short stacking energy: -436.095 Base-Backbone interact. energy: -1.845 local terms energy: -468.560438 where: bonds (distance) C4'-P energy: -88.472 bonds (distance) P-C4' energy: -83.716 flat angles C4'-P-C4' energy: -100.946 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: -122.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1335.229784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.229784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.229784 (E_RNA) where: Base-Base interactions energy: -905.509 where: short stacking energy: -380.945 Base-Backbone interact. energy: 0.392 local terms energy: -430.113071 where: bonds (distance) C4'-P energy: -88.928 bonds (distance) P-C4' energy: -91.216 flat angles C4'-P-C4' energy: -96.315 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -97.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1146.206903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.206903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.206903 (E_RNA) where: Base-Base interactions energy: -746.970 where: short stacking energy: -352.229 Base-Backbone interact. energy: -1.637 local terms energy: -397.600100 where: bonds (distance) C4'-P energy: -76.799 bonds (distance) P-C4' energy: -97.897 flat angles C4'-P-C4' energy: -75.970 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1029.517264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.517264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.517264 (E_RNA) where: Base-Base interactions energy: -664.990 where: short stacking energy: -289.733 Base-Backbone interact. energy: -2.483 local terms energy: -362.044167 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -97.157 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -63.863 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: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -761.552120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.552120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.552120 (E_RNA) where: Base-Base interactions energy: -454.596 where: short stacking energy: -219.085 Base-Backbone interact. energy: -3.395 local terms energy: -303.560935 where: bonds (distance) C4'-P energy: -74.996 bonds (distance) P-C4' energy: -78.842 flat angles C4'-P-C4' energy: -71.477 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -35.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -626.282612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.282612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.282612 (E_RNA) where: Base-Base interactions energy: -368.374 where: short stacking energy: -185.995 Base-Backbone interact. energy: -1.862 local terms energy: -256.046922 where: bonds (distance) C4'-P energy: -70.952 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -48.353 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -15.729 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: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1730.943757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.943757 (E_RNA) where: Base-Base interactions energy: -1228.561 where: short stacking energy: -489.262 Base-Backbone interact. energy: -1.886 local terms energy: -500.497278 where: bonds (distance) C4'-P energy: -98.237 bonds (distance) P-C4' energy: -102.890 flat angles C4'-P-C4' energy: -106.184 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -130.214 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1617.908634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.908634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.908634 (E_RNA) where: Base-Base interactions energy: -1106.938 where: short stacking energy: -521.883 Base-Backbone interact. energy: -3.501 local terms energy: -507.470120 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -95.499 flat angles C4'-P-C4' energy: -94.808 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -146.912 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: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1599.815729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.815729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.815729 (E_RNA) where: Base-Base interactions energy: -1091.426 where: short stacking energy: -461.242 Base-Backbone interact. energy: -1.571 local terms energy: -506.819213 where: bonds (distance) C4'-P energy: -93.901 bonds (distance) P-C4' energy: -97.596 flat angles C4'-P-C4' energy: -103.497 flat angles P-C4'-P energy: -80.757 tors. eta vs tors. theta energy: -131.067 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: 155 Temperature: 1.050000 Total energy: -1503.931204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.931204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.931204 (E_RNA) where: Base-Base interactions energy: -1014.189 where: short stacking energy: -472.733 Base-Backbone interact. energy: -0.442 local terms energy: -489.300693 where: bonds (distance) C4'-P energy: -99.088 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -95.372 flat angles P-C4'-P energy: -69.210 tors. eta vs tors. theta energy: -130.070 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: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1392.676143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.676143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.676143 (E_RNA) where: Base-Base interactions energy: -974.798 where: short stacking energy: -403.620 Base-Backbone interact. energy: 3.167 local terms energy: -421.045406 where: bonds (distance) C4'-P energy: -84.964 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -96.578 flat angles P-C4'-P energy: -51.345 tors. eta vs tors. theta energy: -105.138 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: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1354.184232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.184232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.184232 (E_RNA) where: Base-Base interactions energy: -920.394 where: short stacking energy: -403.569 Base-Backbone interact. energy: -0.491 local terms energy: -433.299449 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -95.179 flat angles P-C4'-P energy: -58.445 tors. eta vs tors. theta energy: -103.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1208.814213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.814213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.814213 (E_RNA) where: Base-Base interactions energy: -793.083 where: short stacking energy: -337.094 Base-Backbone interact. energy: -2.610 local terms energy: -413.120465 where: bonds (distance) C4'-P energy: -94.331 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -91.093 flat angles P-C4'-P energy: -51.102 tors. eta vs tors. theta energy: -93.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1040.091470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.091470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.091470 (E_RNA) where: Base-Base interactions energy: -667.483 where: short stacking energy: -303.540 Base-Backbone interact. energy: 0.569 local terms energy: -373.176783 where: bonds (distance) C4'-P energy: -89.391 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -74.401 flat angles P-C4'-P energy: -55.286 tors. eta vs tors. theta energy: -71.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -796.697713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.697713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.697713 (E_RNA) where: Base-Base interactions energy: -496.142 where: short stacking energy: -228.139 Base-Backbone interact. energy: -1.756 local terms energy: -298.799595 where: bonds (distance) C4'-P energy: -70.014 bonds (distance) P-C4' energy: -99.075 flat angles C4'-P-C4' energy: -59.439 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -26.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -551.473609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.473609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.473609 (E_RNA) where: Base-Base interactions energy: -286.933 where: short stacking energy: -162.335 Base-Backbone interact. energy: -2.494 local terms energy: -262.045829 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -85.964 flat angles C4'-P-C4' energy: -68.042 flat angles P-C4'-P energy: -28.046 tors. eta vs tors. theta energy: -9.510 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: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1738.793784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.793784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.793784 (E_RNA) where: Base-Base interactions energy: -1219.228 where: short stacking energy: -497.271 Base-Backbone interact. energy: -1.388 local terms energy: -518.177456 where: bonds (distance) C4'-P energy: -88.046 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -107.906 flat angles P-C4'-P energy: -79.595 tors. eta vs tors. theta energy: -148.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1656.654851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.654851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.654851 (E_RNA) where: Base-Base interactions energy: -1128.554 where: short stacking energy: -513.781 Base-Backbone interact. energy: 1.020 local terms energy: -529.120668 where: bonds (distance) C4'-P energy: -95.207 bonds (distance) P-C4' energy: -103.924 flat angles C4'-P-C4' energy: -115.884 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -142.941 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: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1606.594128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.594128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.594128 (E_RNA) where: Base-Base interactions energy: -1094.553 where: short stacking energy: -452.083 Base-Backbone interact. energy: -1.629 local terms energy: -510.412160 where: bonds (distance) C4'-P energy: -86.892 bonds (distance) P-C4' energy: -106.060 flat angles C4'-P-C4' energy: -115.718 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: -128.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1510.585435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.585435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.585435 (E_RNA) where: Base-Base interactions energy: -1043.069 where: short stacking energy: -436.095 Base-Backbone interact. energy: -2.201 local terms energy: -465.316173 where: bonds (distance) C4'-P energy: -90.033 bonds (distance) P-C4' energy: -87.693 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -63.798 tors. eta vs tors. theta energy: -120.900 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: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1393.825736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.825736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.825736 (E_RNA) where: Base-Base interactions energy: -977.902 where: short stacking energy: -422.506 Base-Backbone interact. energy: -0.285 local terms energy: -415.638090 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -81.280 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: -101.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1335.013837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.013837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.013837 (E_RNA) where: Base-Base interactions energy: -899.822 where: short stacking energy: -378.084 Base-Backbone interact. energy: -1.157 local terms energy: -434.034693 where: bonds (distance) C4'-P energy: -85.700 bonds (distance) P-C4' energy: -94.849 flat angles C4'-P-C4' energy: -82.802 flat angles P-C4'-P energy: -64.985 tors. eta vs tors. theta energy: -105.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1180.987970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.987970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.987970 (E_RNA) where: Base-Base interactions energy: -791.495 where: short stacking energy: -372.230 Base-Backbone interact. energy: 1.927 local terms energy: -391.420195 where: bonds (distance) C4'-P energy: -83.088 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -81.480 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -84.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1057.426710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.426710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.426710 (E_RNA) where: Base-Base interactions energy: -679.030 where: short stacking energy: -295.729 Base-Backbone interact. energy: -1.876 local terms energy: -376.520949 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -82.510 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -61.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -839.306705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.306705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.306705 (E_RNA) where: Base-Base interactions energy: -529.011 where: short stacking energy: -268.027 Base-Backbone interact. energy: 4.380 local terms energy: -314.675821 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -31.717 tors. eta vs tors. theta energy: -42.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -576.274244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.274244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.274244 (E_RNA) where: Base-Base interactions energy: -311.281 where: short stacking energy: -165.944 Base-Backbone interact. energy: -2.733 local terms energy: -262.260524 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -88.468 flat angles C4'-P-C4' energy: -57.941 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1731.628265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.628265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.628265 (E_RNA) where: Base-Base interactions energy: -1200.242 where: short stacking energy: -503.000 Base-Backbone interact. energy: -1.379 local terms energy: -530.007522 where: bonds (distance) C4'-P energy: -98.912 bonds (distance) P-C4' energy: -99.176 flat angles C4'-P-C4' energy: -105.439 flat angles P-C4'-P energy: -86.035 tors. eta vs tors. theta energy: -140.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1615.604675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.604675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.604675 (E_RNA) where: Base-Base interactions energy: -1107.048 where: short stacking energy: -499.257 Base-Backbone interact. energy: -2.914 local terms energy: -505.642313 where: bonds (distance) C4'-P energy: -98.973 bonds (distance) P-C4' energy: -102.228 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -78.656 tors. eta vs tors. theta energy: -129.183 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: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1603.266527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.266527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.266527 (E_RNA) where: Base-Base interactions energy: -1124.953 where: short stacking energy: -468.354 Base-Backbone interact. energy: -1.715 local terms energy: -476.598186 where: bonds (distance) C4'-P energy: -99.574 bonds (distance) P-C4' energy: -85.867 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -122.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1517.742425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.742425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.742425 (E_RNA) where: Base-Base interactions energy: -1062.267 where: short stacking energy: -450.655 Base-Backbone interact. energy: -2.208 local terms energy: -453.268336 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -91.560 flat angles C4'-P-C4' energy: -105.637 flat angles P-C4'-P energy: -57.789 tors. eta vs tors. theta energy: -119.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1462.736461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.736461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.736461 (E_RNA) where: Base-Base interactions energy: -1019.532 where: short stacking energy: -420.887 Base-Backbone interact. energy: -0.341 local terms energy: -442.863366 where: bonds (distance) C4'-P energy: -89.278 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -100.178 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -106.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1361.382274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.382274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.382274 (E_RNA) where: Base-Base interactions energy: -939.584 where: short stacking energy: -384.102 Base-Backbone interact. energy: -3.439 local terms energy: -418.359199 where: bonds (distance) C4'-P energy: -81.839 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -85.799 flat angles P-C4'-P energy: -59.763 tors. eta vs tors. theta energy: -104.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1135.711905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.711905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.711905 (E_RNA) where: Base-Base interactions energy: -758.326 where: short stacking energy: -345.878 Base-Backbone interact. energy: -0.399 local terms energy: -376.986407 where: bonds (distance) C4'-P energy: -81.701 bonds (distance) P-C4' energy: -80.390 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -77.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1036.509404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.509404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.509404 (E_RNA) where: Base-Base interactions energy: -663.784 where: short stacking energy: -310.970 Base-Backbone interact. energy: -2.849 local terms energy: -369.876971 where: bonds (distance) C4'-P energy: -76.749 bonds (distance) P-C4' energy: -88.596 flat angles C4'-P-C4' energy: -91.522 flat angles P-C4'-P energy: -35.913 tors. eta vs tors. theta energy: -77.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -801.223926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.223926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.223926 (E_RNA) where: Base-Base interactions energy: -499.684 where: short stacking energy: -238.219 Base-Backbone interact. energy: -0.656 local terms energy: -300.883496 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -87.290 flat angles C4'-P-C4' energy: -65.070 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -38.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -557.749000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.749000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.749000 (E_RNA) where: Base-Base interactions energy: -282.287 where: short stacking energy: -141.205 Base-Backbone interact. energy: -1.976 local terms energy: -273.486233 where: bonds (distance) C4'-P energy: -72.759 bonds (distance) P-C4' energy: -77.545 flat angles C4'-P-C4' energy: -87.738 flat angles P-C4'-P energy: -37.323 tors. eta vs tors. theta energy: 1.879 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: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1753.556743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.556743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.556743 (E_RNA) where: Base-Base interactions energy: -1216.862 where: short stacking energy: -483.236 Base-Backbone interact. energy: -2.859 local terms energy: -533.836153 where: bonds (distance) C4'-P energy: -101.058 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -115.620 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: -137.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1638.951181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.951181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.951181 (E_RNA) where: Base-Base interactions energy: -1142.535 where: short stacking energy: -506.334 Base-Backbone interact. energy: -3.029 local terms energy: -493.387949 where: bonds (distance) C4'-P energy: -89.869 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -107.441 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -145.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1594.070615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.070615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.070615 (E_RNA) where: Base-Base interactions energy: -1123.688 where: short stacking energy: -451.132 Base-Backbone interact. energy: 0.029 local terms energy: -470.412132 where: bonds (distance) C4'-P energy: -99.749 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -95.925 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -124.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1478.633374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.633374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.633374 (E_RNA) where: Base-Base interactions energy: -1015.646 where: short stacking energy: -466.090 Base-Backbone interact. energy: -0.334 local terms energy: -462.653415 where: bonds (distance) C4'-P energy: -82.665 bonds (distance) P-C4' energy: -93.287 flat angles C4'-P-C4' energy: -101.277 flat angles P-C4'-P energy: -62.759 tors. eta vs tors. theta energy: -122.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1404.924917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.924917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.924917 (E_RNA) where: Base-Base interactions energy: -990.178 where: short stacking energy: -406.742 Base-Backbone interact. energy: 0.063 local terms energy: -414.809548 where: bonds (distance) C4'-P energy: -87.412 bonds (distance) P-C4' energy: -87.362 flat angles C4'-P-C4' energy: -95.488 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -95.788 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: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1336.063446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.063446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.063446 (E_RNA) where: Base-Base interactions energy: -913.345 where: short stacking energy: -391.234 Base-Backbone interact. energy: -0.006 local terms energy: -422.712016 where: bonds (distance) C4'-P energy: -84.885 bonds (distance) P-C4' energy: -87.672 flat angles C4'-P-C4' energy: -99.466 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -106.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1145.410790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.410790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.410790 (E_RNA) where: Base-Base interactions energy: -763.139 where: short stacking energy: -363.464 Base-Backbone interact. energy: -2.299 local terms energy: -379.972331 where: bonds (distance) C4'-P energy: -64.570 bonds (distance) P-C4' energy: -92.262 flat angles C4'-P-C4' energy: -81.963 flat angles P-C4'-P energy: -60.612 tors. eta vs tors. theta energy: -80.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -994.523061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.523061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.523061 (E_RNA) where: Base-Base interactions energy: -636.203 where: short stacking energy: -289.889 Base-Backbone interact. energy: -2.350 local terms energy: -355.970065 where: bonds (distance) C4'-P energy: -85.228 bonds (distance) P-C4' energy: -96.956 flat angles C4'-P-C4' energy: -77.917 flat angles P-C4'-P energy: -39.307 tors. eta vs tors. theta energy: -56.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -771.431389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.431389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.431389 (E_RNA) where: Base-Base interactions energy: -443.484 where: short stacking energy: -228.717 Base-Backbone interact. energy: 5.417 local terms energy: -333.364281 where: bonds (distance) C4'-P energy: -79.654 bonds (distance) P-C4' energy: -84.077 flat angles C4'-P-C4' energy: -89.002 flat angles P-C4'-P energy: -47.255 tors. eta vs tors. theta energy: -33.376 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: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -578.562430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.562430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.562430 (E_RNA) where: Base-Base interactions energy: -311.685 where: short stacking energy: -144.938 Base-Backbone interact. energy: -1.751 local terms energy: -265.126144 where: bonds (distance) C4'-P energy: -87.639 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -47.074 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1740.984457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.984457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.984457 (E_RNA) where: Base-Base interactions energy: -1238.734 where: short stacking energy: -481.154 Base-Backbone interact. energy: 2.873 local terms energy: -505.123296 where: bonds (distance) C4'-P energy: -99.181 bonds (distance) P-C4' energy: -97.634 flat angles C4'-P-C4' energy: -106.225 flat angles P-C4'-P energy: -68.515 tors. eta vs tors. theta energy: -133.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1647.623563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.623563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.623563 (E_RNA) where: Base-Base interactions energy: -1119.721 where: short stacking energy: -495.648 Base-Backbone interact. energy: -2.616 local terms energy: -525.286326 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -104.175 flat angles C4'-P-C4' energy: -107.781 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -140.978 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: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1579.055754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.055754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.055754 (E_RNA) where: Base-Base interactions energy: -1113.156 where: short stacking energy: -448.487 Base-Backbone interact. energy: -2.638 local terms energy: -463.261841 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -103.755 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -124.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1482.273280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.273280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.273280 (E_RNA) where: Base-Base interactions energy: -993.764 where: short stacking energy: -464.948 Base-Backbone interact. energy: -0.632 local terms energy: -487.877124 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -92.812 flat angles C4'-P-C4' energy: -112.234 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -129.376 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: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1384.612791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.612791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.612791 (E_RNA) where: Base-Base interactions energy: -965.796 where: short stacking energy: -374.901 Base-Backbone interact. energy: -0.574 local terms energy: -418.243026 where: bonds (distance) C4'-P energy: -86.307 bonds (distance) P-C4' energy: -89.617 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: -88.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1342.742466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.742466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.742466 (E_RNA) where: Base-Base interactions energy: -911.347 where: short stacking energy: -402.929 Base-Backbone interact. energy: -0.955 local terms energy: -430.440512 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -85.267 flat angles C4'-P-C4' energy: -93.862 flat angles P-C4'-P energy: -59.689 tors. eta vs tors. theta energy: -103.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1146.698698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.698698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.698698 (E_RNA) where: Base-Base interactions energy: -748.638 where: short stacking energy: -341.874 Base-Backbone interact. energy: 1.977 local terms energy: -400.037829 where: bonds (distance) C4'-P energy: -79.595 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -58.620 tors. eta vs tors. theta energy: -83.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1043.290000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.290000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.290000 (E_RNA) where: Base-Base interactions energy: -663.710 where: short stacking energy: -293.478 Base-Backbone interact. energy: -1.309 local terms energy: -378.271515 where: bonds (distance) C4'-P energy: -88.256 bonds (distance) P-C4' energy: -77.594 flat angles C4'-P-C4' energy: -95.083 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -70.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -738.502574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.502574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.502574 (E_RNA) where: Base-Base interactions energy: -454.773 where: short stacking energy: -223.352 Base-Backbone interact. energy: -1.426 local terms energy: -282.303424 where: bonds (distance) C4'-P energy: -74.459 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -18.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -586.649472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.649472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.649472 (E_RNA) where: Base-Base interactions energy: -309.878 where: short stacking energy: -179.435 Base-Backbone interact. energy: 0.271 local terms energy: -277.042368 where: bonds (distance) C4'-P energy: -71.321 bonds (distance) P-C4' energy: -85.016 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -42.216 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1726.790065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.790065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.790065 (E_RNA) where: Base-Base interactions energy: -1206.195 where: short stacking energy: -491.934 Base-Backbone interact. energy: -5.213 local terms energy: -515.382246 where: bonds (distance) C4'-P energy: -102.908 bonds (distance) P-C4' energy: -102.378 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -129.479 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: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1648.132406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.132406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.132406 (E_RNA) where: Base-Base interactions energy: -1141.503 where: short stacking energy: -512.497 Base-Backbone interact. energy: -1.885 local terms energy: -504.745053 where: bonds (distance) C4'-P energy: -86.776 bonds (distance) P-C4' energy: -105.126 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -142.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1599.877629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.877629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.877629 (E_RNA) where: Base-Base interactions energy: -1122.034 where: short stacking energy: -459.251 Base-Backbone interact. energy: 0.767 local terms energy: -478.610952 where: bonds (distance) C4'-P energy: -102.895 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -102.166 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -119.981 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: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1518.739711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.739711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.739711 (E_RNA) where: Base-Base interactions energy: -1023.104 where: short stacking energy: -462.532 Base-Backbone interact. energy: -0.531 local terms energy: -495.105031 where: bonds (distance) C4'-P energy: -90.764 bonds (distance) P-C4' energy: -98.419 flat angles C4'-P-C4' energy: -100.509 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: -139.030 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1392.905019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.905019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.905019 (E_RNA) where: Base-Base interactions energy: -962.382 where: short stacking energy: -382.633 Base-Backbone interact. energy: -3.737 local terms energy: -426.786143 where: bonds (distance) C4'-P energy: -85.130 bonds (distance) P-C4' energy: -92.426 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -81.659 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: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1295.986141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.986141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.986141 (E_RNA) where: Base-Base interactions energy: -863.184 where: short stacking energy: -400.700 Base-Backbone interact. energy: -2.929 local terms energy: -429.872860 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -103.177 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -105.509 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: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1086.183389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.183389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.183389 (E_RNA) where: Base-Base interactions energy: -737.022 where: short stacking energy: -339.102 Base-Backbone interact. energy: -1.699 local terms energy: -347.461564 where: bonds (distance) C4'-P energy: -83.217 bonds (distance) P-C4' energy: -80.293 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -69.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1022.407771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.407771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.407771 (E_RNA) where: Base-Base interactions energy: -645.015 where: short stacking energy: -296.011 Base-Backbone interact. energy: 0.608 local terms energy: -378.000328 where: bonds (distance) C4'-P energy: -83.972 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -54.562 tors. eta vs tors. theta energy: -72.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -765.187269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.187269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.187269 (E_RNA) where: Base-Base interactions energy: -447.902 where: short stacking energy: -210.812 Base-Backbone interact. energy: -3.931 local terms energy: -313.354582 where: bonds (distance) C4'-P energy: -87.684 bonds (distance) P-C4' energy: -76.118 flat angles C4'-P-C4' energy: -86.124 flat angles P-C4'-P energy: -31.922 tors. eta vs tors. theta energy: -31.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -599.950464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.950464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.950464 (E_RNA) where: Base-Base interactions energy: -317.663 where: short stacking energy: -174.428 Base-Backbone interact. energy: 2.252 local terms energy: -284.539546 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -74.404 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -9.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1731.589886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.589886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.589886 (E_RNA) where: Base-Base interactions energy: -1228.764 where: short stacking energy: -474.408 Base-Backbone interact. energy: 0.385 local terms energy: -503.210269 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -98.328 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -135.775 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1646.674407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.674407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.674407 (E_RNA) where: Base-Base interactions energy: -1150.625 where: short stacking energy: -511.151 Base-Backbone interact. energy: -1.094 local terms energy: -494.955507 where: bonds (distance) C4'-P energy: -76.734 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -143.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1607.868535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.868535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.868535 (E_RNA) where: Base-Base interactions energy: -1124.051 where: short stacking energy: -456.854 Base-Backbone interact. energy: -1.001 local terms energy: -482.816396 where: bonds (distance) C4'-P energy: -91.341 bonds (distance) P-C4' energy: -91.395 flat angles C4'-P-C4' energy: -103.351 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -128.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1533.915959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.915959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.915959 (E_RNA) where: Base-Base interactions energy: -1058.902 where: short stacking energy: -446.419 Base-Backbone interact. energy: -2.979 local terms energy: -472.035563 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -89.285 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -120.409 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: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1355.077009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.077009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.077009 (E_RNA) where: Base-Base interactions energy: -941.286 where: short stacking energy: -380.116 Base-Backbone interact. energy: 0.948 local terms energy: -414.739016 where: bonds (distance) C4'-P energy: -90.605 bonds (distance) P-C4' energy: -96.226 flat angles C4'-P-C4' energy: -91.171 flat angles P-C4'-P energy: -56.301 tors. eta vs tors. theta energy: -80.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1309.090652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.090652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.090652 (E_RNA) where: Base-Base interactions energy: -880.508 where: short stacking energy: -388.472 Base-Backbone interact. energy: -2.705 local terms energy: -425.878082 where: bonds (distance) C4'-P energy: -84.812 bonds (distance) P-C4' energy: -96.235 flat angles C4'-P-C4' energy: -99.743 flat angles P-C4'-P energy: -56.616 tors. eta vs tors. theta energy: -88.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1140.372495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.372495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.372495 (E_RNA) where: Base-Base interactions energy: -729.597 where: short stacking energy: -351.951 Base-Backbone interact. energy: -1.710 local terms energy: -409.065325 where: bonds (distance) C4'-P energy: -77.210 bonds (distance) P-C4' energy: -90.168 flat angles C4'-P-C4' energy: -94.488 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -88.289 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: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -990.967915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.967915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.967915 (E_RNA) where: Base-Base interactions energy: -624.947 where: short stacking energy: -260.959 Base-Backbone interact. energy: -1.280 local terms energy: -364.741116 where: bonds (distance) C4'-P energy: -84.838 bonds (distance) P-C4' energy: -92.687 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -59.902 tors. eta vs tors. theta energy: -56.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -745.077516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.077516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.077516 (E_RNA) where: Base-Base interactions energy: -452.807 where: short stacking energy: -196.053 Base-Backbone interact. energy: 2.913 local terms energy: -295.183779 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -87.396 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -22.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -596.555028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.555028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.555028 (E_RNA) where: Base-Base interactions energy: -314.809 where: short stacking energy: -181.388 Base-Backbone interact. energy: -1.854 local terms energy: -279.891460 where: bonds (distance) C4'-P energy: -73.487 bonds (distance) P-C4' energy: -92.096 flat angles C4'-P-C4' energy: -58.863 flat angles P-C4'-P energy: -36.388 tors. eta vs tors. theta energy: -19.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1744.834200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.834200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.834200 (E_RNA) where: Base-Base interactions energy: -1228.862 where: short stacking energy: -472.381 Base-Backbone interact. energy: 2.537 local terms energy: -518.509617 where: bonds (distance) C4'-P energy: -101.792 bonds (distance) P-C4' energy: -98.462 flat angles C4'-P-C4' energy: -112.342 flat angles P-C4'-P energy: -69.562 tors. eta vs tors. theta energy: -136.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1645.124350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.124350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.124350 (E_RNA) where: Base-Base interactions energy: -1136.565 where: short stacking energy: -510.519 Base-Backbone interact. energy: -1.966 local terms energy: -506.593464 where: bonds (distance) C4'-P energy: -96.101 bonds (distance) P-C4' energy: -93.359 flat angles C4'-P-C4' energy: -113.649 flat angles P-C4'-P energy: -73.088 tors. eta vs tors. theta energy: -130.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1582.012819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.012819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.012819 (E_RNA) where: Base-Base interactions energy: -1115.003 where: short stacking energy: -438.082 Base-Backbone interact. energy: -2.520 local terms energy: -464.489863 where: bonds (distance) C4'-P energy: -78.509 bonds (distance) P-C4' energy: -96.458 flat angles C4'-P-C4' energy: -104.398 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -121.435 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: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1488.164278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.164278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.164278 (E_RNA) where: Base-Base interactions energy: -1007.591 where: short stacking energy: -429.039 Base-Backbone interact. energy: -2.262 local terms energy: -478.311286 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -95.486 flat angles C4'-P-C4' energy: -100.252 flat angles P-C4'-P energy: -61.974 tors. eta vs tors. theta energy: -129.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1346.461165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.461165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.461165 (E_RNA) where: Base-Base interactions energy: -920.461 where: short stacking energy: -394.983 Base-Backbone interact. energy: -3.394 local terms energy: -422.605928 where: bonds (distance) C4'-P energy: -87.996 bonds (distance) P-C4' energy: -94.594 flat angles C4'-P-C4' energy: -102.006 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -86.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1345.291429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.291429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.291429 (E_RNA) where: Base-Base interactions energy: -905.772 where: short stacking energy: -374.052 Base-Backbone interact. energy: 1.190 local terms energy: -440.709578 where: bonds (distance) C4'-P energy: -82.718 bonds (distance) P-C4' energy: -95.885 flat angles C4'-P-C4' energy: -84.364 flat angles P-C4'-P energy: -74.858 tors. eta vs tors. theta energy: -102.885 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: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1034.156164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.156164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.156164 (E_RNA) where: Base-Base interactions energy: -682.800 where: short stacking energy: -297.280 Base-Backbone interact. energy: -0.702 local terms energy: -350.653935 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -81.339 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -57.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1084.026279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.026279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.026279 (E_RNA) where: Base-Base interactions energy: -680.396 where: short stacking energy: -317.175 Base-Backbone interact. energy: -0.208 local terms energy: -403.423043 where: bonds (distance) C4'-P energy: -96.193 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: -70.458 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: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -791.007426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.007426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.007426 (E_RNA) where: Base-Base interactions energy: -480.197 where: short stacking energy: -223.225 Base-Backbone interact. energy: 0.887 local terms energy: -311.698383 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -83.594 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -19.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -579.086399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.086399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.086399 (E_RNA) where: Base-Base interactions energy: -288.918 where: short stacking energy: -181.629 Base-Backbone interact. energy: 0.165 local terms energy: -290.333632 where: bonds (distance) C4'-P energy: -76.698 bonds (distance) P-C4' energy: -87.589 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -46.482 tors. eta vs tors. theta energy: -6.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1712.165270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.165270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.165270 (E_RNA) where: Base-Base interactions energy: -1203.751 where: short stacking energy: -485.662 Base-Backbone interact. energy: -2.678 local terms energy: -505.736233 where: bonds (distance) C4'-P energy: -100.005 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -109.405 flat angles P-C4'-P energy: -67.077 tors. eta vs tors. theta energy: -128.564 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: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1661.551976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.551976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.551976 (E_RNA) where: Base-Base interactions energy: -1130.802 where: short stacking energy: -515.988 Base-Backbone interact. energy: -1.770 local terms energy: -528.979916 where: bonds (distance) C4'-P energy: -99.520 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -152.446 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: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1570.680157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.680157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.680157 (E_RNA) where: Base-Base interactions energy: -1104.127 where: short stacking energy: -449.172 Base-Backbone interact. energy: -2.686 local terms energy: -463.867134 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -94.232 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -65.385 tors. eta vs tors. theta energy: -114.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1501.519999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.519999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.519999 (E_RNA) where: Base-Base interactions energy: -1047.168 where: short stacking energy: -426.544 Base-Backbone interact. energy: -0.964 local terms energy: -453.387202 where: bonds (distance) C4'-P energy: -79.370 bonds (distance) P-C4' energy: -102.872 flat angles C4'-P-C4' energy: -92.855 flat angles P-C4'-P energy: -57.169 tors. eta vs tors. theta energy: -121.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1368.063836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.063836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.063836 (E_RNA) where: Base-Base interactions energy: -944.988 where: short stacking energy: -362.400 Base-Backbone interact. energy: -0.819 local terms energy: -422.256503 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -102.936 flat angles C4'-P-C4' energy: -89.543 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: -89.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1325.298465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.298465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.298465 (E_RNA) where: Base-Base interactions energy: -905.214 where: short stacking energy: -393.961 Base-Backbone interact. energy: -1.177 local terms energy: -418.907266 where: bonds (distance) C4'-P energy: -96.594 bonds (distance) P-C4' energy: -84.000 flat angles C4'-P-C4' energy: -96.181 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: -90.037 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: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1021.999136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.999136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.999136 (E_RNA) where: Base-Base interactions energy: -676.224 where: short stacking energy: -293.979 Base-Backbone interact. energy: -0.718 local terms energy: -345.056667 where: bonds (distance) C4'-P energy: -81.061 bonds (distance) P-C4' energy: -81.210 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -52.957 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: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1063.344618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.344618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.344618 (E_RNA) where: Base-Base interactions energy: -702.303 where: short stacking energy: -317.711 Base-Backbone interact. energy: 3.074 local terms energy: -364.115196 where: bonds (distance) C4'-P energy: -74.526 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -90.150 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -71.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -791.703175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.703175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.703175 (E_RNA) where: Base-Base interactions energy: -472.274 where: short stacking energy: -230.354 Base-Backbone interact. energy: 0.036 local terms energy: -319.465271 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -91.548 flat angles C4'-P-C4' energy: -70.770 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -32.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -513.185179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.185179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.185179 (E_RNA) where: Base-Base interactions energy: -233.466 where: short stacking energy: -140.651 Base-Backbone interact. energy: 0.614 local terms energy: -280.333085 where: bonds (distance) C4'-P energy: -94.182 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: 8.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1714.888022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.888022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.888022 (E_RNA) where: Base-Base interactions energy: -1214.968 where: short stacking energy: -501.052 Base-Backbone interact. energy: -1.710 local terms energy: -498.210202 where: bonds (distance) C4'-P energy: -95.518 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -113.204 flat angles P-C4'-P energy: -74.370 tors. eta vs tors. theta energy: -128.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1645.320974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.320974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.320974 (E_RNA) where: Base-Base interactions energy: -1136.245 where: short stacking energy: -493.454 Base-Backbone interact. energy: -0.597 local terms energy: -508.479206 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -114.445 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -144.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1587.467351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.467351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.467351 (E_RNA) where: Base-Base interactions energy: -1127.833 where: short stacking energy: -465.317 Base-Backbone interact. energy: -0.756 local terms energy: -458.877812 where: bonds (distance) C4'-P energy: -89.431 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -86.676 flat angles P-C4'-P energy: -57.217 tors. eta vs tors. theta energy: -130.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1568.215385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.215385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.215385 (E_RNA) where: Base-Base interactions energy: -1072.567 where: short stacking energy: -467.416 Base-Backbone interact. energy: -4.905 local terms energy: -490.743573 where: bonds (distance) C4'-P energy: -98.682 bonds (distance) P-C4' energy: -94.276 flat angles C4'-P-C4' energy: -103.173 flat angles P-C4'-P energy: -64.542 tors. eta vs tors. theta energy: -130.070 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: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1402.673410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.673410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.673410 (E_RNA) where: Base-Base interactions energy: -949.063 where: short stacking energy: -418.751 Base-Backbone interact. energy: 0.741 local terms energy: -454.351363 where: bonds (distance) C4'-P energy: -96.305 bonds (distance) P-C4' energy: -88.550 flat angles C4'-P-C4' energy: -102.850 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: -108.821 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: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1388.309053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.309053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.309053 (E_RNA) where: Base-Base interactions energy: -964.618 where: short stacking energy: -392.224 Base-Backbone interact. energy: 1.126 local terms energy: -424.816648 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -80.709 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -93.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1227.305164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.305164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.305164 (E_RNA) where: Base-Base interactions energy: -810.729 where: short stacking energy: -365.740 Base-Backbone interact. energy: -0.133 local terms energy: -416.442652 where: bonds (distance) C4'-P energy: -81.597 bonds (distance) P-C4' energy: -89.490 flat angles C4'-P-C4' energy: -87.550 flat angles P-C4'-P energy: -60.225 tors. eta vs tors. theta energy: -97.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1012.013442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.013442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.013442 (E_RNA) where: Base-Base interactions energy: -649.936 where: short stacking energy: -291.353 Base-Backbone interact. energy: 0.285 local terms energy: -362.361918 where: bonds (distance) C4'-P energy: -79.369 bonds (distance) P-C4' energy: -67.039 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -56.202 tors. eta vs tors. theta energy: -68.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -795.496835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.496835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.496835 (E_RNA) where: Base-Base interactions energy: -485.910 where: short stacking energy: -231.798 Base-Backbone interact. energy: -0.351 local terms energy: -309.235811 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -98.090 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -34.174 tors. eta vs tors. theta energy: -29.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -568.567425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.567425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.567425 (E_RNA) where: Base-Base interactions energy: -279.112 where: short stacking energy: -187.394 Base-Backbone interact. energy: 1.532 local terms energy: -290.987452 where: bonds (distance) C4'-P energy: -69.762 bonds (distance) P-C4' energy: -87.992 flat angles C4'-P-C4' energy: -55.454 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: -24.954 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: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1711.168768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.168768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.168768 (E_RNA) where: Base-Base interactions energy: -1198.904 where: short stacking energy: -472.197 Base-Backbone interact. energy: -4.971 local terms energy: -507.294319 where: bonds (distance) C4'-P energy: -95.607 bonds (distance) P-C4' energy: -101.123 flat angles C4'-P-C4' energy: -111.803 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: -127.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1639.412348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.412348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.412348 (E_RNA) where: Base-Base interactions energy: -1109.499 where: short stacking energy: -503.393 Base-Backbone interact. energy: -2.920 local terms energy: -526.993586 where: bonds (distance) C4'-P energy: -100.642 bonds (distance) P-C4' energy: -98.044 flat angles C4'-P-C4' energy: -110.939 flat angles P-C4'-P energy: -74.454 tors. eta vs tors. theta energy: -142.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1628.372364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.372364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.372364 (E_RNA) where: Base-Base interactions energy: -1126.946 where: short stacking energy: -458.400 Base-Backbone interact. energy: -1.768 local terms energy: -499.658150 where: bonds (distance) C4'-P energy: -97.102 bonds (distance) P-C4' energy: -88.886 flat angles C4'-P-C4' energy: -111.990 flat angles P-C4'-P energy: -68.257 tors. eta vs tors. theta energy: -133.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1537.230222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.230222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.230222 (E_RNA) where: Base-Base interactions energy: -1064.184 where: short stacking energy: -467.073 Base-Backbone interact. energy: -2.443 local terms energy: -470.603475 where: bonds (distance) C4'-P energy: -81.271 bonds (distance) P-C4' energy: -85.492 flat angles C4'-P-C4' energy: -103.520 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -135.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1403.394571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.394571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.394571 (E_RNA) where: Base-Base interactions energy: -939.361 where: short stacking energy: -406.893 Base-Backbone interact. energy: -4.379 local terms energy: -459.654879 where: bonds (distance) C4'-P energy: -87.122 bonds (distance) P-C4' energy: -92.669 flat angles C4'-P-C4' energy: -82.795 flat angles P-C4'-P energy: -72.769 tors. eta vs tors. theta energy: -124.301 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: 165 Temperature: 1.150000 Total energy: -1328.143270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.143270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.143270 (E_RNA) where: Base-Base interactions energy: -912.061 where: short stacking energy: -378.282 Base-Backbone interact. energy: 0.280 local terms energy: -416.362024 where: bonds (distance) C4'-P energy: -95.059 bonds (distance) P-C4' energy: -94.339 flat angles C4'-P-C4' energy: -91.850 flat angles P-C4'-P energy: -55.881 tors. eta vs tors. theta energy: -79.232 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: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1183.476480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.476480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.476480 (E_RNA) where: Base-Base interactions energy: -790.766 where: short stacking energy: -361.312 Base-Backbone interact. energy: -0.476 local terms energy: -392.234433 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -95.400 flat angles P-C4'-P energy: -54.420 tors. eta vs tors. theta energy: -77.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1044.730546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.730546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.730546 (E_RNA) where: Base-Base interactions energy: -684.640 where: short stacking energy: -318.642 Base-Backbone interact. energy: -0.653 local terms energy: -359.437354 where: bonds (distance) C4'-P energy: -62.102 bonds (distance) P-C4' energy: -82.635 flat angles C4'-P-C4' energy: -82.269 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -70.910 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: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -828.094000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.094000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.094000 (E_RNA) where: Base-Base interactions energy: -508.176 where: short stacking energy: -239.667 Base-Backbone interact. energy: -2.442 local terms energy: -317.476099 where: bonds (distance) C4'-P energy: -75.257 bonds (distance) P-C4' energy: -80.981 flat angles C4'-P-C4' energy: -65.089 flat angles P-C4'-P energy: -56.708 tors. eta vs tors. theta energy: -39.442 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: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -560.822804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.822804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.822804 (E_RNA) where: Base-Base interactions energy: -293.391 where: short stacking energy: -188.521 Base-Backbone interact. energy: 0.304 local terms energy: -267.735906 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -69.289 flat angles C4'-P-C4' energy: -73.212 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1721.987013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.987013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.987013 (E_RNA) where: Base-Base interactions energy: -1194.017 where: short stacking energy: -488.614 Base-Backbone interact. energy: -2.253 local terms energy: -525.716843 where: bonds (distance) C4'-P energy: -94.395 bonds (distance) P-C4' energy: -103.673 flat angles C4'-P-C4' energy: -111.357 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -135.340 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: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1624.525479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.525479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.525479 (E_RNA) where: Base-Base interactions energy: -1119.278 where: short stacking energy: -498.011 Base-Backbone interact. energy: -3.318 local terms energy: -501.929397 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -112.677 flat angles P-C4'-P energy: -62.748 tors. eta vs tors. theta energy: -138.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1651.288729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.288729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.288729 (E_RNA) where: Base-Base interactions energy: -1162.966 where: short stacking energy: -485.641 Base-Backbone interact. energy: -1.148 local terms energy: -487.174787 where: bonds (distance) C4'-P energy: -73.915 bonds (distance) P-C4' energy: -100.287 flat angles C4'-P-C4' energy: -101.431 flat angles P-C4'-P energy: -73.434 tors. eta vs tors. theta energy: -138.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1557.790259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.790259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.790259 (E_RNA) where: Base-Base interactions energy: -1073.823 where: short stacking energy: -471.097 Base-Backbone interact. energy: -3.322 local terms energy: -480.644525 where: bonds (distance) C4'-P energy: -92.984 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -103.933 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -125.921 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: 166 Temperature: 1.100000 Total energy: -1384.759452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.759452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.759452 (E_RNA) where: Base-Base interactions energy: -927.606 where: short stacking energy: -398.673 Base-Backbone interact. energy: -2.971 local terms energy: -454.182521 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -93.918 flat angles C4'-P-C4' energy: -100.139 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -111.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1335.093358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.093358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.093358 (E_RNA) where: Base-Base interactions energy: -910.173 where: short stacking energy: -375.302 Base-Backbone interact. energy: -2.484 local terms energy: -422.437260 where: bonds (distance) C4'-P energy: -96.346 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -107.949 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -89.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1233.636123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.636123 (E_RNA) where: Base-Base interactions energy: -816.261 where: short stacking energy: -355.927 Base-Backbone interact. energy: 2.201 local terms energy: -419.576265 where: bonds (distance) C4'-P energy: -81.222 bonds (distance) P-C4' energy: -87.858 flat angles C4'-P-C4' energy: -103.625 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1033.603794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.603794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.603794 (E_RNA) where: Base-Base interactions energy: -705.088 where: short stacking energy: -311.019 Base-Backbone interact. energy: 6.313 local terms energy: -334.828513 where: bonds (distance) C4'-P energy: -65.917 bonds (distance) P-C4' energy: -66.534 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -61.312 tors. eta vs tors. theta energy: -51.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -832.106817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.106817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.106817 (E_RNA) where: Base-Base interactions energy: -511.177 where: short stacking energy: -225.597 Base-Backbone interact. energy: 1.132 local terms energy: -322.061223 where: bonds (distance) C4'-P energy: -81.139 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -80.602 flat angles P-C4'-P energy: -36.916 tors. eta vs tors. theta energy: -25.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -563.439706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.439706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.439706 (E_RNA) where: Base-Base interactions energy: -300.340 where: short stacking energy: -187.889 Base-Backbone interact. energy: 5.010 local terms energy: -268.109180 where: bonds (distance) C4'-P energy: -70.242 bonds (distance) P-C4' energy: -78.185 flat angles C4'-P-C4' energy: -63.586 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1711.799681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.799681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.799681 (E_RNA) where: Base-Base interactions energy: -1189.787 where: short stacking energy: -488.483 Base-Backbone interact. energy: -0.133 local terms energy: -521.880492 where: bonds (distance) C4'-P energy: -102.705 bonds (distance) P-C4' energy: -96.700 flat angles C4'-P-C4' energy: -108.106 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -134.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1666.538982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.538982 (E_RNA) where: Base-Base interactions energy: -1151.197 where: short stacking energy: -502.931 Base-Backbone interact. energy: 1.696 local terms energy: -517.038240 where: bonds (distance) C4'-P energy: -93.070 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -110.162 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -146.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1619.897260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.897260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.897260 (E_RNA) where: Base-Base interactions energy: -1128.919 where: short stacking energy: -471.865 Base-Backbone interact. energy: 1.436 local terms energy: -492.414278 where: bonds (distance) C4'-P energy: -95.180 bonds (distance) P-C4' energy: -97.040 flat angles C4'-P-C4' energy: -110.957 flat angles P-C4'-P energy: -62.327 tors. eta vs tors. theta energy: -126.911 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1544.568527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.568527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.568527 (E_RNA) where: Base-Base interactions energy: -1078.249 where: short stacking energy: -484.754 Base-Backbone interact. energy: 0.094 local terms energy: -466.413576 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -109.577 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: -136.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1355.542142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.542142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.542142 (E_RNA) where: Base-Base interactions energy: -919.597 where: short stacking energy: -380.588 Base-Backbone interact. energy: -1.010 local terms energy: -434.934939 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -90.920 flat angles C4'-P-C4' energy: -103.258 flat angles P-C4'-P energy: -58.674 tors. eta vs tors. theta energy: -90.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1296.148264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.148264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.148264 (E_RNA) where: Base-Base interactions energy: -892.911 where: short stacking energy: -351.559 Base-Backbone interact. energy: 1.340 local terms energy: -404.577291 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -95.711 flat angles C4'-P-C4' energy: -82.299 flat angles P-C4'-P energy: -70.870 tors. eta vs tors. theta energy: -82.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1182.416534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.416534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.416534 (E_RNA) where: Base-Base interactions energy: -763.324 where: short stacking energy: -351.101 Base-Backbone interact. energy: -1.998 local terms energy: -417.094434 where: bonds (distance) C4'-P energy: -86.652 bonds (distance) P-C4' energy: -85.996 flat angles C4'-P-C4' energy: -100.875 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -980.342653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.342653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.342653 (E_RNA) where: Base-Base interactions energy: -641.741 where: short stacking energy: -273.940 Base-Backbone interact. energy: 1.867 local terms energy: -340.468670 where: bonds (distance) C4'-P energy: -78.747 bonds (distance) P-C4' energy: -77.184 flat angles C4'-P-C4' energy: -80.521 flat angles P-C4'-P energy: -49.900 tors. eta vs tors. theta energy: -54.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -843.548168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.548168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.548168 (E_RNA) where: Base-Base interactions energy: -536.335 where: short stacking energy: -251.863 Base-Backbone interact. energy: 1.640 local terms energy: -308.853059 where: bonds (distance) C4'-P energy: -87.756 bonds (distance) P-C4' energy: -74.976 flat angles C4'-P-C4' energy: -63.215 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -36.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -537.846683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.846683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.846683 (E_RNA) where: Base-Base interactions energy: -289.395 where: short stacking energy: -149.663 Base-Backbone interact. energy: 1.245 local terms energy: -249.696556 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -88.724 flat angles C4'-P-C4' energy: -48.848 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: 4.706 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1699.490107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.490107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.490107 (E_RNA) where: Base-Base interactions energy: -1182.097 where: short stacking energy: -493.251 Base-Backbone interact. energy: -2.439 local terms energy: -514.954095 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -103.492 flat angles C4'-P-C4' energy: -109.131 flat angles P-C4'-P energy: -83.152 tors. eta vs tors. theta energy: -143.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1650.721012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.721012 (E_RNA) where: Base-Base interactions energy: -1135.144 where: short stacking energy: -493.765 Base-Backbone interact. energy: -1.327 local terms energy: -514.249805 where: bonds (distance) C4'-P energy: -95.272 bonds (distance) P-C4' energy: -103.807 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -136.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1593.818897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.818897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.818897 (E_RNA) where: Base-Base interactions energy: -1136.293 where: short stacking energy: -456.756 Base-Backbone interact. energy: 1.625 local terms energy: -459.151242 where: bonds (distance) C4'-P energy: -88.269 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -93.750 flat angles P-C4'-P energy: -60.535 tors. eta vs tors. theta energy: -121.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1511.907218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.907218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.907218 (E_RNA) where: Base-Base interactions energy: -1018.719 where: short stacking energy: -434.019 Base-Backbone interact. energy: -2.818 local terms energy: -490.370285 where: bonds (distance) C4'-P energy: -98.939 bonds (distance) P-C4' energy: -90.283 flat angles C4'-P-C4' energy: -108.266 flat angles P-C4'-P energy: -68.121 tors. eta vs tors. theta energy: -124.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1372.973215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.973215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.973215 (E_RNA) where: Base-Base interactions energy: -936.112 where: short stacking energy: -387.661 Base-Backbone interact. energy: 1.672 local terms energy: -438.533878 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -94.875 flat angles C4'-P-C4' energy: -102.949 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -94.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1319.347852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.347852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.347852 (E_RNA) where: Base-Base interactions energy: -908.381 where: short stacking energy: -407.091 Base-Backbone interact. energy: -2.922 local terms energy: -408.044737 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -89.432 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -94.324 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1172.561171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.561171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.561171 (E_RNA) where: Base-Base interactions energy: -745.570 where: short stacking energy: -337.508 Base-Backbone interact. energy: -1.748 local terms energy: -425.243737 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -97.723 flat angles P-C4'-P energy: -54.848 tors. eta vs tors. theta energy: -90.858 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: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -999.982161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.982161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.982161 (E_RNA) where: Base-Base interactions energy: -640.294 where: short stacking energy: -315.371 Base-Backbone interact. energy: -1.468 local terms energy: -358.220404 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -84.340 flat angles C4'-P-C4' energy: -81.137 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -61.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -804.891780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.891780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.891780 (E_RNA) where: Base-Base interactions energy: -502.084 where: short stacking energy: -231.197 Base-Backbone interact. energy: -1.466 local terms energy: -301.341484 where: bonds (distance) C4'-P energy: -62.302 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -78.258 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -23.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -545.177915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.177915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.177915 (E_RNA) where: Base-Base interactions energy: -276.203 where: short stacking energy: -168.417 Base-Backbone interact. energy: -3.174 local terms energy: -265.800630 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -98.441 flat angles C4'-P-C4' energy: -62.142 flat angles P-C4'-P energy: -40.225 tors. eta vs tors. theta energy: -5.055 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: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1684.141998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.141998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.141998 (E_RNA) where: Base-Base interactions energy: -1176.302 where: short stacking energy: -456.633 Base-Backbone interact. energy: -1.629 local terms energy: -506.210922 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -106.162 flat angles C4'-P-C4' energy: -96.339 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -129.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1643.728053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.728053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.728053 (E_RNA) where: Base-Base interactions energy: -1121.129 where: short stacking energy: -487.924 Base-Backbone interact. energy: -3.790 local terms energy: -518.808951 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -97.063 flat angles C4'-P-C4' energy: -109.495 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: -134.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1570.544808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.544808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.544808 (E_RNA) where: Base-Base interactions energy: -1102.516 where: short stacking energy: -436.238 Base-Backbone interact. energy: 3.133 local terms energy: -471.162228 where: bonds (distance) C4'-P energy: -89.404 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -97.757 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -115.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1570.333524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.333524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.333524 (E_RNA) where: Base-Base interactions energy: -1097.765 where: short stacking energy: -481.865 Base-Backbone interact. energy: 1.009 local terms energy: -473.577404 where: bonds (distance) C4'-P energy: -87.560 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -103.640 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: -130.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1404.416544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.416544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.416544 (E_RNA) where: Base-Base interactions energy: -968.343 where: short stacking energy: -395.317 Base-Backbone interact. energy: -1.532 local terms energy: -434.542365 where: bonds (distance) C4'-P energy: -94.857 bonds (distance) P-C4' energy: -88.211 flat angles C4'-P-C4' energy: -99.647 flat angles P-C4'-P energy: -65.390 tors. eta vs tors. theta energy: -86.437 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: 169 Temperature: 1.150000 Total energy: -1212.299958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.299958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.299958 (E_RNA) where: Base-Base interactions energy: -800.378 where: short stacking energy: -381.470 Base-Backbone interact. energy: -0.254 local terms energy: -411.667366 where: bonds (distance) C4'-P energy: -64.440 bonds (distance) P-C4' energy: -85.510 flat angles C4'-P-C4' energy: -89.766 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -105.259 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: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1243.895543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.895543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.895543 (E_RNA) where: Base-Base interactions energy: -865.995 where: short stacking energy: -351.521 Base-Backbone interact. energy: -2.676 local terms energy: -375.224622 where: bonds (distance) C4'-P energy: -65.576 bonds (distance) P-C4' energy: -86.032 flat angles C4'-P-C4' energy: -90.070 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -72.117 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: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -999.235850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.235850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.235850 (E_RNA) where: Base-Base interactions energy: -657.193 where: short stacking energy: -282.845 Base-Backbone interact. energy: 0.329 local terms energy: -342.371529 where: bonds (distance) C4'-P energy: -87.556 bonds (distance) P-C4' energy: -83.739 flat angles C4'-P-C4' energy: -80.640 flat angles P-C4'-P energy: -41.140 tors. eta vs tors. theta energy: -49.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -837.439608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.439608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.439608 (E_RNA) where: Base-Base interactions energy: -535.140 where: short stacking energy: -246.073 Base-Backbone interact. energy: 1.729 local terms energy: -304.028002 where: bonds (distance) C4'-P energy: -72.738 bonds (distance) P-C4' energy: -84.726 flat angles C4'-P-C4' energy: -88.372 flat angles P-C4'-P energy: -44.792 tors. eta vs tors. theta energy: -13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -576.341702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.341702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.341702 (E_RNA) where: Base-Base interactions energy: -308.413 where: short stacking energy: -168.385 Base-Backbone interact. energy: -3.584 local terms energy: -264.344658 where: bonds (distance) C4'-P energy: -66.421 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -64.885 flat angles P-C4'-P energy: -51.597 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1698.104943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.104943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.104943 (E_RNA) where: Base-Base interactions energy: -1180.846 where: short stacking energy: -476.531 Base-Backbone interact. energy: 0.972 local terms energy: -518.230687 where: bonds (distance) C4'-P energy: -107.283 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -137.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1661.192560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.192560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.192560 (E_RNA) where: Base-Base interactions energy: -1160.883 where: short stacking energy: -516.804 Base-Backbone interact. energy: 2.315 local terms energy: -502.624531 where: bonds (distance) C4'-P energy: -108.239 bonds (distance) P-C4' energy: -85.407 flat angles C4'-P-C4' energy: -105.702 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -142.086 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: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1564.409673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.409673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.409673 (E_RNA) where: Base-Base interactions energy: -1079.488 where: short stacking energy: -459.161 Base-Backbone interact. energy: -2.221 local terms energy: -482.700642 where: bonds (distance) C4'-P energy: -90.525 bonds (distance) P-C4' energy: -87.092 flat angles C4'-P-C4' energy: -106.502 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -122.350 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: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1552.307155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.307155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.307155 (E_RNA) where: Base-Base interactions energy: -1082.329 where: short stacking energy: -439.840 Base-Backbone interact. energy: -2.070 local terms energy: -467.907645 where: bonds (distance) C4'-P energy: -90.031 bonds (distance) P-C4' energy: -90.781 flat angles C4'-P-C4' energy: -103.365 flat angles P-C4'-P energy: -59.553 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: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1405.599526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.599526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.599526 (E_RNA) where: Base-Base interactions energy: -972.504 where: short stacking energy: -396.668 Base-Backbone interact. energy: 1.667 local terms energy: -434.762447 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -92.078 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -66.505 tors. eta vs tors. theta energy: -94.036 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: 170 Temperature: 1.150000 Total energy: -1224.776503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.776503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.776503 (E_RNA) where: Base-Base interactions energy: -807.062 where: short stacking energy: -380.693 Base-Backbone interact. energy: -2.324 local terms energy: -415.390981 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -96.621 flat angles C4'-P-C4' energy: -102.021 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -88.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1296.057169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.057169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.057169 (E_RNA) where: Base-Base interactions energy: -887.080 where: short stacking energy: -376.043 Base-Backbone interact. energy: -0.391 local terms energy: -408.586154 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -90.148 flat angles C4'-P-C4' energy: -96.517 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -87.511 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: 9 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1076.146307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.146307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.146307 (E_RNA) where: Base-Base interactions energy: -744.489 where: short stacking energy: -308.805 Base-Backbone interact. energy: 2.139 local terms energy: -333.796545 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -85.104 flat angles C4'-P-C4' energy: -79.216 flat angles P-C4'-P energy: -38.141 tors. eta vs tors. theta energy: -64.544 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: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -769.981168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.981168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.981168 (E_RNA) where: Base-Base interactions energy: -456.833 where: short stacking energy: -220.785 Base-Backbone interact. energy: -1.588 local terms energy: -311.560061 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -82.184 flat angles C4'-P-C4' energy: -77.552 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -560.451139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.451139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.451139 (E_RNA) where: Base-Base interactions energy: -292.254 where: short stacking energy: -130.436 Base-Backbone interact. energy: -0.321 local terms energy: -267.876259 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -80.811 flat angles P-C4'-P energy: -53.078 tors. eta vs tors. theta energy: 6.365 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: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1700.059570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.059570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.059570 (E_RNA) where: Base-Base interactions energy: -1203.105 where: short stacking energy: -476.089 Base-Backbone interact. energy: 2.858 local terms energy: -499.812817 where: bonds (distance) C4'-P energy: -90.541 bonds (distance) P-C4' energy: -96.186 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -140.312 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: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1693.114449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.114449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.114449 (E_RNA) where: Base-Base interactions energy: -1164.154 where: short stacking energy: -513.782 Base-Backbone interact. energy: -0.183 local terms energy: -528.777719 where: bonds (distance) C4'-P energy: -95.415 bonds (distance) P-C4' energy: -106.292 flat angles C4'-P-C4' energy: -115.806 flat angles P-C4'-P energy: -64.093 tors. eta vs tors. theta energy: -147.172 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: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1580.509200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.509200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.509200 (E_RNA) where: Base-Base interactions energy: -1098.981 where: short stacking energy: -480.112 Base-Backbone interact. energy: -1.865 local terms energy: -479.663673 where: bonds (distance) C4'-P energy: -81.012 bonds (distance) P-C4' energy: -89.251 flat angles C4'-P-C4' energy: -106.209 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -137.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1586.101634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.101634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.101634 (E_RNA) where: Base-Base interactions energy: -1113.683 where: short stacking energy: -445.266 Base-Backbone interact. energy: -2.261 local terms energy: -470.158276 where: bonds (distance) C4'-P energy: -94.698 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -94.572 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -118.198 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: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1400.252370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.252370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.252370 (E_RNA) where: Base-Base interactions energy: -957.082 where: short stacking energy: -375.617 Base-Backbone interact. energy: -2.192 local terms energy: -440.977829 where: bonds (distance) C4'-P energy: -97.774 bonds (distance) P-C4' energy: -79.345 flat angles C4'-P-C4' energy: -104.175 flat angles P-C4'-P energy: -68.771 tors. eta vs tors. theta energy: -90.911 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: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1324.628706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.628706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.628706 (E_RNA) where: Base-Base interactions energy: -891.501 where: short stacking energy: -421.529 Base-Backbone interact. energy: -0.995 local terms energy: -432.132877 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -97.178 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -121.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1202.589034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.589034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.589034 (E_RNA) where: Base-Base interactions energy: -793.160 where: short stacking energy: -344.686 Base-Backbone interact. energy: -1.070 local terms energy: -408.359230 where: bonds (distance) C4'-P energy: -87.271 bonds (distance) P-C4' energy: -77.258 flat angles C4'-P-C4' energy: -96.831 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -88.987 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: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1100.333784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.333784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.333784 (E_RNA) where: Base-Base interactions energy: -720.121 where: short stacking energy: -316.656 Base-Backbone interact. energy: 3.042 local terms energy: -383.255008 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -76.963 flat angles C4'-P-C4' energy: -88.810 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -77.795 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: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -791.576322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.576322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.576322 (E_RNA) where: Base-Base interactions energy: -456.836 where: short stacking energy: -218.595 Base-Backbone interact. energy: -0.155 local terms energy: -334.585013 where: bonds (distance) C4'-P energy: -86.292 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -77.040 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -26.828 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: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -556.305129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.305129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.305129 (E_RNA) where: Base-Base interactions energy: -275.300 where: short stacking energy: -145.264 Base-Backbone interact. energy: -1.940 local terms energy: -279.064622 where: bonds (distance) C4'-P energy: -74.993 bonds (distance) P-C4' energy: -86.221 flat angles C4'-P-C4' energy: -81.020 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: 4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1718.634774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.634774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.634774 (E_RNA) where: Base-Base interactions energy: -1193.807 where: short stacking energy: -497.292 Base-Backbone interact. energy: -2.782 local terms energy: -522.045873 where: bonds (distance) C4'-P energy: -102.640 bonds (distance) P-C4' energy: -93.845 flat angles C4'-P-C4' energy: -118.258 flat angles P-C4'-P energy: -70.614 tors. eta vs tors. theta energy: -136.689 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1680.892202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.892202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.892202 (E_RNA) where: Base-Base interactions energy: -1160.046 where: short stacking energy: -526.851 Base-Backbone interact. energy: 2.178 local terms energy: -523.024115 where: bonds (distance) C4'-P energy: -103.029 bonds (distance) P-C4' energy: -83.852 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -157.313 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: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1610.759766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.759766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.759766 (E_RNA) where: Base-Base interactions energy: -1142.089 where: short stacking energy: -442.890 Base-Backbone interact. energy: -3.133 local terms energy: -465.537760 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -103.826 flat angles C4'-P-C4' energy: -94.442 flat angles P-C4'-P energy: -65.488 tors. eta vs tors. theta energy: -114.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1528.802394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.802394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.802394 (E_RNA) where: Base-Base interactions energy: -1059.145 where: short stacking energy: -458.404 Base-Backbone interact. energy: -2.949 local terms energy: -466.707684 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -97.347 flat angles C4'-P-C4' energy: -97.869 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -124.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1406.021926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.021926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.021926 (E_RNA) where: Base-Base interactions energy: -961.973 where: short stacking energy: -439.935 Base-Backbone interact. energy: -1.050 local terms energy: -442.998544 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -83.743 flat angles C4'-P-C4' energy: -95.959 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -116.862 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: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1343.011465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.011465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.011465 (E_RNA) where: Base-Base interactions energy: -925.427 where: short stacking energy: -354.870 Base-Backbone interact. energy: 1.387 local terms energy: -418.971576 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -93.646 flat angles C4'-P-C4' energy: -99.102 flat angles P-C4'-P energy: -52.472 tors. eta vs tors. theta energy: -78.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1177.650375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.650375 (E_RNA) where: Base-Base interactions energy: -765.970 where: short stacking energy: -375.147 Base-Backbone interact. energy: 5.428 local terms energy: -417.109206 where: bonds (distance) C4'-P energy: -85.844 bonds (distance) P-C4' energy: -88.055 flat angles C4'-P-C4' energy: -91.240 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: -87.276 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: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1019.990764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.990764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.990764 (E_RNA) where: Base-Base interactions energy: -682.284 where: short stacking energy: -293.549 Base-Backbone interact. energy: 1.170 local terms energy: -338.877136 where: bonds (distance) C4'-P energy: -80.394 bonds (distance) P-C4' energy: -78.624 flat angles C4'-P-C4' energy: -72.555 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -62.242 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -862.659671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.659671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.659671 (E_RNA) where: Base-Base interactions energy: -528.391 where: short stacking energy: -246.097 Base-Backbone interact. energy: -1.256 local terms energy: -333.011886 where: bonds (distance) C4'-P energy: -87.427 bonds (distance) P-C4' energy: -85.016 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: -36.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -586.592633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.592633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.592633 (E_RNA) where: Base-Base interactions energy: -307.840 where: short stacking energy: -182.803 Base-Backbone interact. energy: 0.634 local terms energy: -279.386401 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -71.584 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -62.621 tors. eta vs tors. theta energy: -16.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1714.022623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.022623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.022623 (E_RNA) where: Base-Base interactions energy: -1204.022 where: short stacking energy: -489.347 Base-Backbone interact. energy: -3.796 local terms energy: -506.204519 where: bonds (distance) C4'-P energy: -92.050 bonds (distance) P-C4' energy: -98.315 flat angles C4'-P-C4' energy: -110.959 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: -136.456 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1675.622004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.622004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.622004 (E_RNA) where: Base-Base interactions energy: -1165.654 where: short stacking energy: -510.167 Base-Backbone interact. energy: -1.988 local terms energy: -507.979613 where: bonds (distance) C4'-P energy: -86.172 bonds (distance) P-C4' energy: -91.388 flat angles C4'-P-C4' energy: -112.669 flat angles P-C4'-P energy: -75.209 tors. eta vs tors. theta energy: -142.541 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: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1612.111839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.111839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.111839 (E_RNA) where: Base-Base interactions energy: -1117.411 where: short stacking energy: -436.757 Base-Backbone interact. energy: -1.807 local terms energy: -492.894053 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -105.830 flat angles C4'-P-C4' energy: -101.788 flat angles P-C4'-P energy: -69.874 tors. eta vs tors. theta energy: -118.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1519.207139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.207139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.207139 (E_RNA) where: Base-Base interactions energy: -1081.391 where: short stacking energy: -463.107 Base-Backbone interact. energy: 2.154 local terms energy: -439.970759 where: bonds (distance) C4'-P energy: -81.013 bonds (distance) P-C4' energy: -85.615 flat angles C4'-P-C4' energy: -95.118 flat angles P-C4'-P energy: -50.757 tors. eta vs tors. theta energy: -127.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1429.413332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.413332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.413332 (E_RNA) where: Base-Base interactions energy: -952.725 where: short stacking energy: -427.649 Base-Backbone interact. energy: -0.749 local terms energy: -475.938833 where: bonds (distance) C4'-P energy: -82.472 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -72.801 tors. eta vs tors. theta energy: -114.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1367.312820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.312820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.312820 (E_RNA) where: Base-Base interactions energy: -946.470 where: short stacking energy: -386.024 Base-Backbone interact. energy: -2.030 local terms energy: -418.812284 where: bonds (distance) C4'-P energy: -86.243 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -94.884 flat angles P-C4'-P energy: -55.406 tors. eta vs tors. theta energy: -87.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1191.727931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.727931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.727931 (E_RNA) where: Base-Base interactions energy: -776.791 where: short stacking energy: -350.195 Base-Backbone interact. energy: -0.411 local terms energy: -414.526169 where: bonds (distance) C4'-P energy: -81.940 bonds (distance) P-C4' energy: -86.850 flat angles C4'-P-C4' energy: -86.274 flat angles P-C4'-P energy: -61.863 tors. eta vs tors. theta energy: -97.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1062.895805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.895805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.895805 (E_RNA) where: Base-Base interactions energy: -716.916 where: short stacking energy: -310.683 Base-Backbone interact. energy: -1.619 local terms energy: -344.360680 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -66.947 flat angles C4'-P-C4' energy: -86.544 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -72.519 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: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -879.642275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.642275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.642275 (E_RNA) where: Base-Base interactions energy: -549.019 where: short stacking energy: -284.775 Base-Backbone interact. energy: -1.616 local terms energy: -329.006817 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -82.902 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -52.996 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: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -600.813245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.813245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.813245 (E_RNA) where: Base-Base interactions energy: -306.158 where: short stacking energy: -148.701 Base-Backbone interact. energy: -1.595 local terms energy: -293.060712 where: bonds (distance) C4'-P energy: -83.881 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -71.381 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1721.998059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.998059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.998059 (E_RNA) where: Base-Base interactions energy: -1200.957 where: short stacking energy: -500.074 Base-Backbone interact. energy: -2.384 local terms energy: -518.656943 where: bonds (distance) C4'-P energy: -90.917 bonds (distance) P-C4' energy: -98.719 flat angles C4'-P-C4' energy: -115.190 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -139.191 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: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1695.518072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.518072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.518072 (E_RNA) where: Base-Base interactions energy: -1178.039 where: short stacking energy: -524.636 Base-Backbone interact. energy: -3.284 local terms energy: -514.194848 where: bonds (distance) C4'-P energy: -89.777 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -151.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1591.615849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.615849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.615849 (E_RNA) where: Base-Base interactions energy: -1113.674 where: short stacking energy: -431.692 Base-Backbone interact. energy: -2.192 local terms energy: -475.749477 where: bonds (distance) C4'-P energy: -96.999 bonds (distance) P-C4' energy: -95.368 flat angles C4'-P-C4' energy: -110.883 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -105.920 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1520.322937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.322937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.322937 (E_RNA) where: Base-Base interactions energy: -1064.060 where: short stacking energy: -440.522 Base-Backbone interact. energy: -3.191 local terms energy: -453.071881 where: bonds (distance) C4'-P energy: -70.765 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -97.205 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -129.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1429.308062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.308062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.308062 (E_RNA) where: Base-Base interactions energy: -970.804 where: short stacking energy: -423.752 Base-Backbone interact. energy: -3.798 local terms energy: -454.706055 where: bonds (distance) C4'-P energy: -79.430 bonds (distance) P-C4' energy: -86.889 flat angles C4'-P-C4' energy: -101.338 flat angles P-C4'-P energy: -67.626 tors. eta vs tors. theta energy: -119.424 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: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1339.218897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.218897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.218897 (E_RNA) where: Base-Base interactions energy: -937.282 where: short stacking energy: -408.483 Base-Backbone interact. energy: -2.614 local terms energy: -399.322737 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -86.428 flat angles C4'-P-C4' energy: -102.646 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -94.233 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1238.443666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.443666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.443666 (E_RNA) where: Base-Base interactions energy: -840.339 where: short stacking energy: -363.492 Base-Backbone interact. energy: 5.748 local terms energy: -403.852331 where: bonds (distance) C4'-P energy: -70.970 bonds (distance) P-C4' energy: -97.123 flat angles C4'-P-C4' energy: -91.264 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -86.237 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: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -991.870718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.870718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.870718 (E_RNA) where: Base-Base interactions energy: -651.855 where: short stacking energy: -290.447 Base-Backbone interact. energy: 0.028 local terms energy: -340.043155 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -63.473 flat angles C4'-P-C4' energy: -85.558 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -62.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -830.822178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.822178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.822178 (E_RNA) where: Base-Base interactions energy: -517.146 where: short stacking energy: -241.385 Base-Backbone interact. energy: 1.118 local terms energy: -314.793427 where: bonds (distance) C4'-P energy: -68.758 bonds (distance) P-C4' energy: -83.400 flat angles C4'-P-C4' energy: -83.464 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -30.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -656.652075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.652075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.652075 (E_RNA) where: Base-Base interactions energy: -363.667 where: short stacking energy: -209.738 Base-Backbone interact. energy: 1.924 local terms energy: -294.909127 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -79.392 flat angles P-C4'-P energy: -34.811 tors. eta vs tors. theta energy: -30.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1696.297112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.297112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.297112 (E_RNA) where: Base-Base interactions energy: -1174.036 where: short stacking energy: -459.733 Base-Backbone interact. energy: -1.631 local terms energy: -520.630615 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -109.848 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: -134.144 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: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1717.584847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.584847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.584847 (E_RNA) where: Base-Base interactions energy: -1188.285 where: short stacking energy: -509.415 Base-Backbone interact. energy: -3.871 local terms energy: -525.428044 where: bonds (distance) C4'-P energy: -90.977 bonds (distance) P-C4' energy: -88.238 flat angles C4'-P-C4' energy: -116.342 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: -152.464 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: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1593.312602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.312602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.312602 (E_RNA) where: Base-Base interactions energy: -1137.651 where: short stacking energy: -459.768 Base-Backbone interact. energy: -3.589 local terms energy: -452.073277 where: bonds (distance) C4'-P energy: -85.468 bonds (distance) P-C4' energy: -99.353 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -114.863 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: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1471.781111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.781111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.781111 (E_RNA) where: Base-Base interactions energy: -1002.543 where: short stacking energy: -431.487 Base-Backbone interact. energy: -0.930 local terms energy: -468.308594 where: bonds (distance) C4'-P energy: -85.256 bonds (distance) P-C4' energy: -85.480 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -118.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1453.582539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.582539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.582539 (E_RNA) where: Base-Base interactions energy: -1007.100 where: short stacking energy: -451.647 Base-Backbone interact. energy: 1.088 local terms energy: -447.570686 where: bonds (distance) C4'-P energy: -93.162 bonds (distance) P-C4' energy: -76.308 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -115.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1334.851662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.851662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.851662 (E_RNA) where: Base-Base interactions energy: -924.262 where: short stacking energy: -381.854 Base-Backbone interact. energy: -0.981 local terms energy: -409.609411 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -95.438 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -87.800 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: 175 Temperature: 1.200000 Total energy: -1282.480485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.480485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.480485 (E_RNA) where: Base-Base interactions energy: -845.581 where: short stacking energy: -364.583 Base-Backbone interact. energy: -1.894 local terms energy: -435.006200 where: bonds (distance) C4'-P energy: -84.493 bonds (distance) P-C4' energy: -86.185 flat angles C4'-P-C4' energy: -93.526 flat angles P-C4'-P energy: -69.594 tors. eta vs tors. theta energy: -101.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -950.980979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.980979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.980979 (E_RNA) where: Base-Base interactions energy: -604.806 where: short stacking energy: -266.775 Base-Backbone interact. energy: -0.823 local terms energy: -345.351749 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -75.722 flat angles C4'-P-C4' energy: -87.762 flat angles P-C4'-P energy: -66.695 tors. eta vs tors. theta energy: -47.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -825.922306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.922306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.922306 (E_RNA) where: Base-Base interactions energy: -520.508 where: short stacking energy: -224.793 Base-Backbone interact. energy: -0.968 local terms energy: -304.445686 where: bonds (distance) C4'-P energy: -88.164 bonds (distance) P-C4' energy: -81.886 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -13.051 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: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -612.045087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.045087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.045087 (E_RNA) where: Base-Base interactions energy: -330.934 where: short stacking energy: -172.735 Base-Backbone interact. energy: 0.233 local terms energy: -281.343725 where: bonds (distance) C4'-P energy: -66.494 bonds (distance) P-C4' energy: -87.754 flat angles C4'-P-C4' energy: -79.654 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1744.227799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.227799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.227799 (E_RNA) where: Base-Base interactions energy: -1217.771 where: short stacking energy: -558.454 Base-Backbone interact. energy: -2.570 local terms energy: -523.886916 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -89.972 flat angles C4'-P-C4' energy: -116.671 flat angles P-C4'-P energy: -79.083 tors. eta vs tors. theta energy: -149.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1698.583171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.583171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.583171 (E_RNA) where: Base-Base interactions energy: -1191.412 where: short stacking energy: -490.425 Base-Backbone interact. energy: 1.137 local terms energy: -508.307939 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -95.239 flat angles C4'-P-C4' energy: -113.685 flat angles P-C4'-P energy: -77.434 tors. eta vs tors. theta energy: -131.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1550.024339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.024339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.024339 (E_RNA) where: Base-Base interactions energy: -1099.616 where: short stacking energy: -437.155 Base-Backbone interact. energy: -2.460 local terms energy: -447.947826 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -80.553 flat angles C4'-P-C4' energy: -97.557 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -109.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1463.788964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.788964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.788964 (E_RNA) where: Base-Base interactions energy: -997.794 where: short stacking energy: -423.543 Base-Backbone interact. energy: -2.480 local terms energy: -463.514540 where: bonds (distance) C4'-P energy: -86.532 bonds (distance) P-C4' energy: -89.321 flat angles C4'-P-C4' energy: -94.758 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -111.797 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: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1449.769578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.769578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.769578 (E_RNA) where: Base-Base interactions energy: -978.355 where: short stacking energy: -428.092 Base-Backbone interact. energy: -0.076 local terms energy: -471.338656 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -97.546 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -125.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1381.047200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.047200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.047200 (E_RNA) where: Base-Base interactions energy: -951.982 where: short stacking energy: -375.905 Base-Backbone interact. energy: -0.611 local terms energy: -428.454239 where: bonds (distance) C4'-P energy: -93.551 bonds (distance) P-C4' energy: -83.918 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -60.963 tors. eta vs tors. theta energy: -90.071 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1228.941159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.941159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.941159 (E_RNA) where: Base-Base interactions energy: -807.880 where: short stacking energy: -358.706 Base-Backbone interact. energy: -0.585 local terms energy: -420.476187 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -88.125 flat angles C4'-P-C4' energy: -96.570 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -92.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -975.253268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.253268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.253268 (E_RNA) where: Base-Base interactions energy: -629.048 where: short stacking energy: -264.486 Base-Backbone interact. energy: -0.391 local terms energy: -345.813973 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -85.140 flat angles C4'-P-C4' energy: -73.896 flat angles P-C4'-P energy: -53.640 tors. eta vs tors. theta energy: -51.103 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -819.411394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.411394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.411394 (E_RNA) where: Base-Base interactions energy: -486.217 where: short stacking energy: -202.126 Base-Backbone interact. energy: -4.416 local terms energy: -328.778790 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -78.377 flat angles C4'-P-C4' energy: -81.657 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: -33.115 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: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -548.131210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.131210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.131210 (E_RNA) where: Base-Base interactions energy: -265.879 where: short stacking energy: -157.839 Base-Backbone interact. energy: -0.391 local terms energy: -281.861678 where: bonds (distance) C4'-P energy: -80.891 bonds (distance) P-C4' energy: -79.956 flat angles C4'-P-C4' energy: -75.039 flat angles P-C4'-P energy: -31.883 tors. eta vs tors. theta energy: -14.092 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1766.955643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.955643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.955643 (E_RNA) where: Base-Base interactions energy: -1224.672 where: short stacking energy: -560.455 Base-Backbone interact. energy: -2.751 local terms energy: -539.532286 where: bonds (distance) C4'-P energy: -95.003 bonds (distance) P-C4' energy: -98.021 flat angles C4'-P-C4' energy: -109.210 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -157.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1686.661984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.661984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.661984 (E_RNA) where: Base-Base interactions energy: -1187.248 where: short stacking energy: -484.182 Base-Backbone interact. energy: -4.939 local terms energy: -494.475632 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -92.389 flat angles C4'-P-C4' energy: -109.395 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -136.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1587.254729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.254729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.254729 (E_RNA) where: Base-Base interactions energy: -1104.865 where: short stacking energy: -439.309 Base-Backbone interact. energy: -3.012 local terms energy: -479.378374 where: bonds (distance) C4'-P energy: -87.112 bonds (distance) P-C4' energy: -95.864 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -111.262 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: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1496.194022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.194022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.194022 (E_RNA) where: Base-Base interactions energy: -1013.408 where: short stacking energy: -398.403 Base-Backbone interact. energy: -0.786 local terms energy: -481.999210 where: bonds (distance) C4'-P energy: -87.422 bonds (distance) P-C4' energy: -84.312 flat angles C4'-P-C4' energy: -110.068 flat angles P-C4'-P energy: -78.730 tors. eta vs tors. theta energy: -121.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1380.760752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.760752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.760752 (E_RNA) where: Base-Base interactions energy: -940.520 where: short stacking energy: -375.061 Base-Backbone interact. energy: -2.203 local terms energy: -438.038497 where: bonds (distance) C4'-P energy: -83.333 bonds (distance) P-C4' energy: -102.707 flat angles C4'-P-C4' energy: -101.289 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -83.621 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: 177 Temperature: 1.150000 Total energy: -1404.746157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.746157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.746157 (E_RNA) where: Base-Base interactions energy: -974.643 where: short stacking energy: -407.638 Base-Backbone interact. energy: -2.060 local terms energy: -428.042371 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -88.266 flat angles C4'-P-C4' energy: -94.100 flat angles P-C4'-P energy: -63.749 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: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1232.321669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.321669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.321669 (E_RNA) where: Base-Base interactions energy: -839.790 where: short stacking energy: -372.369 Base-Backbone interact. energy: -1.035 local terms energy: -391.496099 where: bonds (distance) C4'-P energy: -74.788 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -100.653 flat angles P-C4'-P energy: -33.482 tors. eta vs tors. theta energy: -105.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -993.824848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.824848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.824848 (E_RNA) where: Base-Base interactions energy: -622.940 where: short stacking energy: -273.795 Base-Backbone interact. energy: -1.143 local terms energy: -369.742519 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -68.192 flat angles C4'-P-C4' energy: -71.296 flat angles P-C4'-P energy: -79.500 tors. eta vs tors. theta energy: -63.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -830.689606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.689606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.689606 (E_RNA) where: Base-Base interactions energy: -490.227 where: short stacking energy: -226.186 Base-Backbone interact. energy: -3.238 local terms energy: -337.224325 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -81.386 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -39.664 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: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -654.948526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.948526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.948526 (E_RNA) where: Base-Base interactions energy: -361.920 where: short stacking energy: -184.041 Base-Backbone interact. energy: 2.722 local terms energy: -295.751288 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -91.867 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -19.835 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1784.452202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.452202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.452202 (E_RNA) where: Base-Base interactions energy: -1222.487 where: short stacking energy: -540.756 Base-Backbone interact. energy: -4.935 local terms energy: -557.029490 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -113.402 flat angles P-C4'-P energy: -76.421 tors. eta vs tors. theta energy: -163.919 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: 178 Temperature: 0.950000 Total energy: -1689.134229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.134229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.134229 (E_RNA) where: Base-Base interactions energy: -1192.474 where: short stacking energy: -477.007 Base-Backbone interact. energy: 2.775 local terms energy: -499.435114 where: bonds (distance) C4'-P energy: -90.271 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -86.277 tors. eta vs tors. theta energy: -140.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1615.273016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.273016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.273016 (E_RNA) where: Base-Base interactions energy: -1154.758 where: short stacking energy: -461.532 Base-Backbone interact. energy: 1.602 local terms energy: -462.117279 where: bonds (distance) C4'-P energy: -96.971 bonds (distance) P-C4' energy: -83.251 flat angles C4'-P-C4' energy: -102.072 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -112.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1528.624237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.624237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.624237 (E_RNA) where: Base-Base interactions energy: -1057.128 where: short stacking energy: -450.662 Base-Backbone interact. energy: -1.215 local terms energy: -470.281671 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -102.230 flat angles P-C4'-P energy: -69.184 tors. eta vs tors. theta energy: -125.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1393.287594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.287594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.287594 (E_RNA) where: Base-Base interactions energy: -973.580 where: short stacking energy: -394.787 Base-Backbone interact. energy: -3.704 local terms energy: -416.004276 where: bonds (distance) C4'-P energy: -77.983 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -92.529 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -86.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1363.143621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.143621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.143621 (E_RNA) where: Base-Base interactions energy: -928.876 where: short stacking energy: -412.498 Base-Backbone interact. energy: 0.228 local terms energy: -434.495149 where: bonds (distance) C4'-P energy: -84.000 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -98.332 flat angles P-C4'-P energy: -62.053 tors. eta vs tors. theta energy: -116.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1245.148171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.148171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.148171 (E_RNA) where: Base-Base interactions energy: -860.763 where: short stacking energy: -364.212 Base-Backbone interact. energy: -1.729 local terms energy: -382.656373 where: bonds (distance) C4'-P energy: -74.116 bonds (distance) P-C4' energy: -80.213 flat angles C4'-P-C4' energy: -91.997 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -95.218 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: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -966.372141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.372141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.372141 (E_RNA) where: Base-Base interactions energy: -622.666 where: short stacking energy: -275.103 Base-Backbone interact. energy: 0.666 local terms energy: -344.371396 where: bonds (distance) C4'-P energy: -76.494 bonds (distance) P-C4' energy: -93.113 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -47.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -879.356410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.356410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.356410 (E_RNA) where: Base-Base interactions energy: -545.170 where: short stacking energy: -252.859 Base-Backbone interact. energy: -1.694 local terms energy: -332.492391 where: bonds (distance) C4'-P energy: -87.544 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -74.440 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -31.690 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: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -629.355832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.355832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.355832 (E_RNA) where: Base-Base interactions energy: -344.369 where: short stacking energy: -176.867 Base-Backbone interact. energy: -0.533 local terms energy: -284.453907 where: bonds (distance) C4'-P energy: -87.818 bonds (distance) P-C4' energy: -75.442 flat angles C4'-P-C4' energy: -61.713 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: -10.130 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: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1777.263773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.263773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.263773 (E_RNA) where: Base-Base interactions energy: -1231.894 where: short stacking energy: -549.599 Base-Backbone interact. energy: -0.184 local terms energy: -545.185339 where: bonds (distance) C4'-P energy: -95.857 bonds (distance) P-C4' energy: -97.010 flat angles C4'-P-C4' energy: -117.989 flat angles P-C4'-P energy: -76.339 tors. eta vs tors. theta energy: -157.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1679.467752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.467752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.467752 (E_RNA) where: Base-Base interactions energy: -1196.084 where: short stacking energy: -480.033 Base-Backbone interact. energy: -4.230 local terms energy: -479.153408 where: bonds (distance) C4'-P energy: -94.893 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -92.342 flat angles P-C4'-P energy: -72.928 tors. eta vs tors. theta energy: -130.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1584.134760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.134760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.134760 (E_RNA) where: Base-Base interactions energy: -1116.018 where: short stacking energy: -459.926 Base-Backbone interact. energy: -2.414 local terms energy: -465.703239 where: bonds (distance) C4'-P energy: -83.734 bonds (distance) P-C4' energy: -96.308 flat angles C4'-P-C4' energy: -98.750 flat angles P-C4'-P energy: -72.467 tors. eta vs tors. theta energy: -114.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1541.555742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.555742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.555742 (E_RNA) where: Base-Base interactions energy: -1067.748 where: short stacking energy: -447.397 Base-Backbone interact. energy: -1.748 local terms energy: -472.059631 where: bonds (distance) C4'-P energy: -80.914 bonds (distance) P-C4' energy: -96.485 flat angles C4'-P-C4' energy: -103.836 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -124.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1406.767342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.767342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.767342 (E_RNA) where: Base-Base interactions energy: -967.193 where: short stacking energy: -386.044 Base-Backbone interact. energy: 2.463 local terms energy: -442.036891 where: bonds (distance) C4'-P energy: -78.426 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -99.919 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: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1313.622530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.622530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.622530 (E_RNA) where: Base-Base interactions energy: -878.395 where: short stacking energy: -375.771 Base-Backbone interact. energy: -2.904 local terms energy: -432.322923 where: bonds (distance) C4'-P energy: -81.548 bonds (distance) P-C4' energy: -94.981 flat angles C4'-P-C4' energy: -98.957 flat angles P-C4'-P energy: -61.371 tors. eta vs tors. theta energy: -95.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1248.195491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.195491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.195491 (E_RNA) where: Base-Base interactions energy: -820.617 where: short stacking energy: -357.613 Base-Backbone interact. energy: -1.683 local terms energy: -425.895346 where: bonds (distance) C4'-P energy: -72.109 bonds (distance) P-C4' energy: -103.977 flat angles C4'-P-C4' energy: -101.571 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -94.734 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: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -927.053795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.053795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.053795 (E_RNA) where: Base-Base interactions energy: -596.774 where: short stacking energy: -271.308 Base-Backbone interact. energy: 1.770 local terms energy: -332.049363 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -88.006 flat angles C4'-P-C4' energy: -84.246 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -50.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -855.787478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.787478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.787478 (E_RNA) where: Base-Base interactions energy: -550.505 where: short stacking energy: -240.793 Base-Backbone interact. energy: 0.353 local terms energy: -305.635498 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -70.280 flat angles P-C4'-P energy: -49.425 tors. eta vs tors. theta energy: -27.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -577.098291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.098291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.098291 (E_RNA) where: Base-Base interactions energy: -302.776 where: short stacking energy: -152.804 Base-Backbone interact. energy: -0.624 local terms energy: -273.698510 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -69.364 flat angles P-C4'-P energy: -39.310 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: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1729.234069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.234069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.234069 (E_RNA) where: Base-Base interactions energy: -1227.086 where: short stacking energy: -489.314 Base-Backbone interact. energy: -3.148 local terms energy: -498.999780 where: bonds (distance) C4'-P energy: -100.512 bonds (distance) P-C4' energy: -88.878 flat angles C4'-P-C4' energy: -107.967 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -136.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1727.272500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.272500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.272500 (E_RNA) where: Base-Base interactions energy: -1199.163 where: short stacking energy: -537.379 Base-Backbone interact. energy: -1.766 local terms energy: -526.344226 where: bonds (distance) C4'-P energy: -101.675 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -111.067 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -160.706 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: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1598.543409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.543409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.543409 (E_RNA) where: Base-Base interactions energy: -1140.790 where: short stacking energy: -455.178 Base-Backbone interact. energy: 0.145 local terms energy: -457.898380 where: bonds (distance) C4'-P energy: -88.252 bonds (distance) P-C4' energy: -98.345 flat angles C4'-P-C4' energy: -97.654 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -105.878 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: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1577.785959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.785959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.785959 (E_RNA) where: Base-Base interactions energy: -1115.750 where: short stacking energy: -460.172 Base-Backbone interact. energy: -0.174 local terms energy: -461.861923 where: bonds (distance) C4'-P energy: -81.052 bonds (distance) P-C4' energy: -76.881 flat angles C4'-P-C4' energy: -102.349 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -134.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1372.638701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.638701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.638701 (E_RNA) where: Base-Base interactions energy: -954.556 where: short stacking energy: -378.198 Base-Backbone interact. energy: -2.892 local terms energy: -415.190297 where: bonds (distance) C4'-P energy: -87.548 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -85.537 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -80.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1341.725468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.725468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.725468 (E_RNA) where: Base-Base interactions energy: -929.063 where: short stacking energy: -405.116 Base-Backbone interact. energy: 1.191 local terms energy: -413.853509 where: bonds (distance) C4'-P energy: -81.205 bonds (distance) P-C4' energy: -78.280 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -93.601 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1200.711030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.711030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.711030 (E_RNA) where: Base-Base interactions energy: -791.381 where: short stacking energy: -349.114 Base-Backbone interact. energy: -1.925 local terms energy: -407.405397 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -81.207 flat angles C4'-P-C4' energy: -81.130 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -95.812 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: 180 Temperature: 1.250000 Total energy: -923.980640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.980640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.980640 (E_RNA) where: Base-Base interactions energy: -621.153 where: short stacking energy: -285.781 Base-Backbone interact. energy: -1.484 local terms energy: -301.342849 where: bonds (distance) C4'-P energy: -83.999 bonds (distance) P-C4' energy: -74.302 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -28.639 tors. eta vs tors. theta energy: -48.475 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: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -825.237750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.237750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.237750 (E_RNA) where: Base-Base interactions energy: -526.424 where: short stacking energy: -261.440 Base-Backbone interact. energy: -0.838 local terms energy: -297.975276 where: bonds (distance) C4'-P energy: -61.053 bonds (distance) P-C4' energy: -87.983 flat angles C4'-P-C4' energy: -73.283 flat angles P-C4'-P energy: -47.025 tors. eta vs tors. theta energy: -28.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -591.425527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.425527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.425527 (E_RNA) where: Base-Base interactions energy: -314.356 where: short stacking energy: -163.746 Base-Backbone interact. energy: -0.112 local terms energy: -276.957947 where: bonds (distance) C4'-P energy: -82.006 bonds (distance) P-C4' energy: -75.122 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1739.989379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.989379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.989379 (E_RNA) where: Base-Base interactions energy: -1225.241 where: short stacking energy: -488.588 Base-Backbone interact. energy: -4.552 local terms energy: -510.196170 where: bonds (distance) C4'-P energy: -99.618 bonds (distance) P-C4' energy: -95.520 flat angles C4'-P-C4' energy: -106.717 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -134.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1711.656814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.656814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.656814 (E_RNA) where: Base-Base interactions energy: -1179.314 where: short stacking energy: -524.213 Base-Backbone interact. energy: -2.297 local terms energy: -530.045614 where: bonds (distance) C4'-P energy: -86.996 bonds (distance) P-C4' energy: -103.349 flat angles C4'-P-C4' energy: -114.161 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -151.543 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: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1591.961850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.961850 (E_RNA) where: Base-Base interactions energy: -1123.843 where: short stacking energy: -441.042 Base-Backbone interact. energy: -2.206 local terms energy: -465.912173 where: bonds (distance) C4'-P energy: -85.788 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -106.784 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -103.139 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: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1563.274893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.274893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.274893 (E_RNA) where: Base-Base interactions energy: -1091.156 where: short stacking energy: -471.429 Base-Backbone interact. energy: -5.155 local terms energy: -466.963707 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -90.608 flat angles C4'-P-C4' energy: -98.628 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -130.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1459.380985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.380985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.380985 (E_RNA) where: Base-Base interactions energy: -1012.131 where: short stacking energy: -414.901 Base-Backbone interact. energy: -0.763 local terms energy: -446.486893 where: bonds (distance) C4'-P energy: -86.450 bonds (distance) P-C4' energy: -94.215 flat angles C4'-P-C4' energy: -100.780 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -100.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1355.267143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.267143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.267143 (E_RNA) where: Base-Base interactions energy: -922.829 where: short stacking energy: -407.662 Base-Backbone interact. energy: -1.253 local terms energy: -431.185120 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -95.956 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -111.066 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1196.435705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.435705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.435705 (E_RNA) where: Base-Base interactions energy: -791.572 where: short stacking energy: -342.100 Base-Backbone interact. energy: -0.916 local terms energy: -403.947276 where: bonds (distance) C4'-P energy: -78.081 bonds (distance) P-C4' energy: -97.802 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -80.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -935.196904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.196904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.196904 (E_RNA) where: Base-Base interactions energy: -609.519 where: short stacking energy: -267.453 Base-Backbone interact. energy: -2.114 local terms energy: -323.564602 where: bonds (distance) C4'-P energy: -78.763 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -84.411 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: -41.064 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: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -773.708951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.708951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.708951 (E_RNA) where: Base-Base interactions energy: -462.971 where: short stacking energy: -224.993 Base-Backbone interact. energy: 2.683 local terms energy: -313.420735 where: bonds (distance) C4'-P energy: -78.715 bonds (distance) P-C4' energy: -71.709 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -26.126 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: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -561.353454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.353454 (E_RNA) where: Base-Base interactions energy: -309.168 where: short stacking energy: -182.349 Base-Backbone interact. energy: -0.101 local terms energy: -252.084095 where: bonds (distance) C4'-P energy: -77.342 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -75.615 flat angles P-C4'-P energy: -28.833 tors. eta vs tors. theta energy: -16.885 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: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1722.737484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.737484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.737484 (E_RNA) where: Base-Base interactions energy: -1195.278 where: short stacking energy: -460.177 Base-Backbone interact. energy: -3.156 local terms energy: -524.303409 where: bonds (distance) C4'-P energy: -94.018 bonds (distance) P-C4' energy: -106.156 flat angles C4'-P-C4' energy: -111.644 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -132.878 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: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1722.310261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.310261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.310261 (E_RNA) where: Base-Base interactions energy: -1204.150 where: short stacking energy: -521.539 Base-Backbone interact. energy: -0.626 local terms energy: -517.533617 where: bonds (distance) C4'-P energy: -87.983 bonds (distance) P-C4' energy: -93.043 flat angles C4'-P-C4' energy: -106.093 flat angles P-C4'-P energy: -77.345 tors. eta vs tors. theta energy: -153.070 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: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1573.335726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.335726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.335726 (E_RNA) where: Base-Base interactions energy: -1106.368 where: short stacking energy: -443.203 Base-Backbone interact. energy: -1.043 local terms energy: -465.924817 where: bonds (distance) C4'-P energy: -86.838 bonds (distance) P-C4' energy: -95.837 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -109.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1559.461070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.461070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.461070 (E_RNA) where: Base-Base interactions energy: -1073.315 where: short stacking energy: -449.395 Base-Backbone interact. energy: -2.073 local terms energy: -484.073719 where: bonds (distance) C4'-P energy: -88.982 bonds (distance) P-C4' energy: -94.797 flat angles C4'-P-C4' energy: -101.592 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -127.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1469.096692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.096692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.096692 (E_RNA) where: Base-Base interactions energy: -1022.977 where: short stacking energy: -424.954 Base-Backbone interact. energy: -1.505 local terms energy: -444.615543 where: bonds (distance) C4'-P energy: -84.608 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -102.108 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -103.343 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: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1331.012569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.012569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.012569 (E_RNA) where: Base-Base interactions energy: -908.317 where: short stacking energy: -396.566 Base-Backbone interact. energy: -1.835 local terms energy: -420.860733 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -51.945 tors. eta vs tors. theta energy: -94.060 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: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1257.131156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.131156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.131156 (E_RNA) where: Base-Base interactions energy: -850.374 where: short stacking energy: -371.011 Base-Backbone interact. energy: 7.776 local terms energy: -414.533300 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -97.020 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -89.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -973.270778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.270778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.270778 (E_RNA) where: Base-Base interactions energy: -638.078 where: short stacking energy: -301.878 Base-Backbone interact. energy: -0.529 local terms energy: -334.663483 where: bonds (distance) C4'-P energy: -80.479 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -45.749 tors. eta vs tors. theta energy: -49.418 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: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -787.046634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.046634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.046634 (E_RNA) where: Base-Base interactions energy: -458.411 where: short stacking energy: -213.324 Base-Backbone interact. energy: 2.729 local terms energy: -331.364690 where: bonds (distance) C4'-P energy: -72.148 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -40.297 tors. eta vs tors. theta energy: -24.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -493.737639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.737639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.737639 (E_RNA) where: Base-Base interactions energy: -241.879 where: short stacking energy: -132.166 Base-Backbone interact. energy: -1.802 local terms energy: -250.056143 where: bonds (distance) C4'-P energy: -70.216 bonds (distance) P-C4' energy: -81.034 flat angles C4'-P-C4' energy: -58.874 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: 2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1719.017590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.017590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.017590 (E_RNA) where: Base-Base interactions energy: -1209.515 where: short stacking energy: -475.579 Base-Backbone interact. energy: -5.050 local terms energy: -504.453306 where: bonds (distance) C4'-P energy: -89.977 bonds (distance) P-C4' energy: -98.196 flat angles C4'-P-C4' energy: -110.057 flat angles P-C4'-P energy: -74.743 tors. eta vs tors. theta energy: -131.480 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: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1742.722937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.722937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.722937 (E_RNA) where: Base-Base interactions energy: -1187.613 where: short stacking energy: -527.473 Base-Backbone interact. energy: -5.845 local terms energy: -549.265315 where: bonds (distance) C4'-P energy: -96.329 bonds (distance) P-C4' energy: -106.885 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: -156.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1578.675038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.675038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.675038 (E_RNA) where: Base-Base interactions energy: -1109.624 where: short stacking energy: -453.645 Base-Backbone interact. energy: 0.253 local terms energy: -469.303901 where: bonds (distance) C4'-P energy: -100.598 bonds (distance) P-C4' energy: -99.502 flat angles C4'-P-C4' energy: -98.943 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -115.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1574.642106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.642106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.642106 (E_RNA) where: Base-Base interactions energy: -1092.643 where: short stacking energy: -441.712 Base-Backbone interact. energy: -5.351 local terms energy: -476.648139 where: bonds (distance) C4'-P energy: -91.261 bonds (distance) P-C4' energy: -102.704 flat angles C4'-P-C4' energy: -105.355 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -123.372 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: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1461.559879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.559879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.559879 (E_RNA) where: Base-Base interactions energy: -1020.077 where: short stacking energy: -419.390 Base-Backbone interact. energy: -0.845 local terms energy: -440.638269 where: bonds (distance) C4'-P energy: -80.527 bonds (distance) P-C4' energy: -91.398 flat angles C4'-P-C4' energy: -97.317 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -109.614 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: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1319.654050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.654050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.654050 (E_RNA) where: Base-Base interactions energy: -893.132 where: short stacking energy: -385.105 Base-Backbone interact. energy: -3.027 local terms energy: -423.495386 where: bonds (distance) C4'-P energy: -96.294 bonds (distance) P-C4' energy: -75.509 flat angles C4'-P-C4' energy: -95.224 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -95.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1254.802634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.802634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.802634 (E_RNA) where: Base-Base interactions energy: -824.999 where: short stacking energy: -365.491 Base-Backbone interact. energy: -3.587 local terms energy: -426.216255 where: bonds (distance) C4'-P energy: -79.468 bonds (distance) P-C4' energy: -92.005 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -63.740 tors. eta vs tors. theta energy: -90.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -972.791328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.791328 (E_RNA) where: Base-Base interactions energy: -628.362 where: short stacking energy: -273.298 Base-Backbone interact. energy: 0.108 local terms energy: -344.536965 where: bonds (distance) C4'-P energy: -72.681 bonds (distance) P-C4' energy: -78.750 flat angles C4'-P-C4' energy: -82.790 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -57.517 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -786.109375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.109375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.109375 (E_RNA) where: Base-Base interactions energy: -464.994 where: short stacking energy: -243.229 Base-Backbone interact. energy: -1.047 local terms energy: -320.068167 where: bonds (distance) C4'-P energy: -89.265 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -82.564 flat angles P-C4'-P energy: -43.638 tors. eta vs tors. theta energy: -28.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -483.786020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.786020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.786020 (E_RNA) where: Base-Base interactions energy: -224.036 where: short stacking energy: -140.279 Base-Backbone interact. energy: 2.904 local terms energy: -262.654518 where: bonds (distance) C4'-P energy: -76.412 bonds (distance) P-C4' energy: -78.340 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1769.133042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.133042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.133042 (E_RNA) where: Base-Base interactions energy: -1211.018 where: short stacking energy: -524.692 Base-Backbone interact. energy: -4.251 local terms energy: -553.864659 where: bonds (distance) C4'-P energy: -101.068 bonds (distance) P-C4' energy: -104.306 flat angles C4'-P-C4' energy: -112.853 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -158.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1702.318653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.318653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.318653 (E_RNA) where: Base-Base interactions energy: -1189.722 where: short stacking energy: -465.231 Base-Backbone interact. energy: -3.245 local terms energy: -509.351868 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -104.451 flat angles C4'-P-C4' energy: -106.363 flat angles P-C4'-P energy: -70.887 tors. eta vs tors. theta energy: -129.489 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: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1598.810736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.810736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.810736 (E_RNA) where: Base-Base interactions energy: -1123.314 where: short stacking energy: -461.129 Base-Backbone interact. energy: 1.342 local terms energy: -476.839185 where: bonds (distance) C4'-P energy: -95.051 bonds (distance) P-C4' energy: -89.477 flat angles C4'-P-C4' energy: -108.226 flat angles P-C4'-P energy: -68.717 tors. eta vs tors. theta energy: -115.367 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: 184 Temperature: 1.050000 Total energy: -1555.022765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.022765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.022765 (E_RNA) where: Base-Base interactions energy: -1086.036 where: short stacking energy: -442.072 Base-Backbone interact. energy: -1.366 local terms energy: -467.620820 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -91.085 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -69.027 tors. eta vs tors. theta energy: -125.567 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: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1438.729724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.729724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.729724 (E_RNA) where: Base-Base interactions energy: -1006.550 where: short stacking energy: -408.355 Base-Backbone interact. energy: 0.006 local terms energy: -432.185542 where: bonds (distance) C4'-P energy: -84.906 bonds (distance) P-C4' energy: -96.755 flat angles C4'-P-C4' energy: -103.347 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -93.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1330.471234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.471234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.471234 (E_RNA) where: Base-Base interactions energy: -899.085 where: short stacking energy: -379.790 Base-Backbone interact. energy: -1.323 local terms energy: -430.063564 where: bonds (distance) C4'-P energy: -91.632 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -88.537 flat angles P-C4'-P energy: -66.998 tors. eta vs tors. theta energy: -102.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1244.636430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.636430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.636430 (E_RNA) where: Base-Base interactions energy: -868.423 where: short stacking energy: -367.883 Base-Backbone interact. energy: -1.242 local terms energy: -374.971575 where: bonds (distance) C4'-P energy: -85.688 bonds (distance) P-C4' energy: -72.057 flat angles C4'-P-C4' energy: -79.479 flat angles P-C4'-P energy: -54.199 tors. eta vs tors. theta energy: -83.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -991.781671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.781671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.781671 (E_RNA) where: Base-Base interactions energy: -662.468 where: short stacking energy: -293.534 Base-Backbone interact. energy: 1.749 local terms energy: -331.063137 where: bonds (distance) C4'-P energy: -61.543 bonds (distance) P-C4' energy: -82.296 flat angles C4'-P-C4' energy: -70.364 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -52.544 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: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -804.358292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.358292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.358292 (E_RNA) where: Base-Base interactions energy: -490.703 where: short stacking energy: -249.663 Base-Backbone interact. energy: 0.050 local terms energy: -313.704860 where: bonds (distance) C4'-P energy: -72.601 bonds (distance) P-C4' energy: -71.638 flat angles C4'-P-C4' energy: -87.185 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -26.769 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: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -523.324315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.324315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.324315 (E_RNA) where: Base-Base interactions energy: -269.399 where: short stacking energy: -166.272 Base-Backbone interact. energy: -0.463 local terms energy: -253.462073 where: bonds (distance) C4'-P energy: -69.509 bonds (distance) P-C4' energy: -78.702 flat angles C4'-P-C4' energy: -80.430 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: 9.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1755.523182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.523182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.523182 (E_RNA) where: Base-Base interactions energy: -1221.304 where: short stacking energy: -540.347 Base-Backbone interact. energy: -2.887 local terms energy: -531.332172 where: bonds (distance) C4'-P energy: -83.923 bonds (distance) P-C4' energy: -105.442 flat angles C4'-P-C4' energy: -115.216 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -156.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1610.450222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.450222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.450222 (E_RNA) where: Base-Base interactions energy: -1122.804 where: short stacking energy: -476.733 Base-Backbone interact. energy: -1.267 local terms energy: -486.379961 where: bonds (distance) C4'-P energy: -83.729 bonds (distance) P-C4' energy: -100.419 flat angles C4'-P-C4' energy: -114.920 flat angles P-C4'-P energy: -57.818 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: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1628.193966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.193966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.193966 (E_RNA) where: Base-Base interactions energy: -1126.875 where: short stacking energy: -436.127 Base-Backbone interact. energy: -3.486 local terms energy: -497.833580 where: bonds (distance) C4'-P energy: -99.985 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -122.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1524.343908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.343908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.343908 (E_RNA) where: Base-Base interactions energy: -1050.954 where: short stacking energy: -446.364 Base-Backbone interact. energy: 3.287 local terms energy: -476.676327 where: bonds (distance) C4'-P energy: -86.292 bonds (distance) P-C4' energy: -92.170 flat angles C4'-P-C4' energy: -107.755 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -127.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1455.091288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.091288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.091288 (E_RNA) where: Base-Base interactions energy: -1043.337 where: short stacking energy: -402.782 Base-Backbone interact. energy: -1.176 local terms energy: -410.578383 where: bonds (distance) C4'-P energy: -72.772 bonds (distance) P-C4' energy: -91.959 flat angles C4'-P-C4' energy: -94.654 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -100.556 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: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1320.594757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.594757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.594757 (E_RNA) where: Base-Base interactions energy: -879.681 where: short stacking energy: -381.981 Base-Backbone interact. energy: -0.170 local terms energy: -440.743860 where: bonds (distance) C4'-P energy: -92.427 bonds (distance) P-C4' energy: -101.068 flat angles C4'-P-C4' energy: -94.856 flat angles P-C4'-P energy: -60.015 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1228.975062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.975062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.975062 (E_RNA) where: Base-Base interactions energy: -812.713 where: short stacking energy: -359.617 Base-Backbone interact. energy: -0.944 local terms energy: -415.318486 where: bonds (distance) C4'-P energy: -98.517 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -95.591 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -94.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -976.225864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.225864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.225864 (E_RNA) where: Base-Base interactions energy: -654.558 where: short stacking energy: -294.257 Base-Backbone interact. energy: 2.843 local terms energy: -324.511073 where: bonds (distance) C4'-P energy: -93.395 bonds (distance) P-C4' energy: -77.501 flat angles C4'-P-C4' energy: -68.286 flat angles P-C4'-P energy: -42.656 tors. eta vs tors. theta energy: -42.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -753.163978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.163978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.163978 (E_RNA) where: Base-Base interactions energy: -428.501 where: short stacking energy: -213.060 Base-Backbone interact. energy: -0.855 local terms energy: -323.808688 where: bonds (distance) C4'-P energy: -89.389 bonds (distance) P-C4' energy: -89.996 flat angles C4'-P-C4' energy: -83.602 flat angles P-C4'-P energy: -32.563 tors. eta vs tors. theta energy: -28.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -513.396273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.396273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.396273 (E_RNA) where: Base-Base interactions energy: -250.019 where: short stacking energy: -160.330 Base-Backbone interact. energy: 1.869 local terms energy: -265.246733 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -82.124 flat angles C4'-P-C4' energy: -69.787 flat angles P-C4'-P energy: -36.562 tors. eta vs tors. theta energy: -2.718 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1774.874308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.874308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.874308 (E_RNA) where: Base-Base interactions energy: -1257.482 where: short stacking energy: -562.876 Base-Backbone interact. energy: -2.477 local terms energy: -514.915675 where: bonds (distance) C4'-P energy: -76.899 bonds (distance) P-C4' energy: -98.291 flat angles C4'-P-C4' energy: -111.895 flat angles P-C4'-P energy: -77.334 tors. eta vs tors. theta energy: -150.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1606.097435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.097435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.097435 (E_RNA) where: Base-Base interactions energy: -1130.987 where: short stacking energy: -463.791 Base-Backbone interact. energy: 3.538 local terms energy: -478.648247 where: bonds (distance) C4'-P energy: -97.217 bonds (distance) P-C4' energy: -109.708 flat angles C4'-P-C4' energy: -94.374 flat angles P-C4'-P energy: -62.319 tors. eta vs tors. theta energy: -115.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1618.019568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.019568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.019568 (E_RNA) where: Base-Base interactions energy: -1139.753 where: short stacking energy: -469.868 Base-Backbone interact. energy: -3.042 local terms energy: -475.224403 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -95.471 flat angles C4'-P-C4' energy: -108.657 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -117.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1537.795100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.795100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.795100 (E_RNA) where: Base-Base interactions energy: -1078.354 where: short stacking energy: -443.644 Base-Backbone interact. energy: -0.331 local terms energy: -459.109888 where: bonds (distance) C4'-P energy: -96.835 bonds (distance) P-C4' energy: -78.979 flat angles C4'-P-C4' energy: -103.632 flat angles P-C4'-P energy: -56.515 tors. eta vs tors. theta energy: -123.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1461.908236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.908236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.908236 (E_RNA) where: Base-Base interactions energy: -1052.380 where: short stacking energy: -402.699 Base-Backbone interact. energy: 11.257 local terms energy: -420.785351 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -74.610 flat angles C4'-P-C4' energy: -102.178 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -93.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1295.596764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.596764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.596764 (E_RNA) where: Base-Base interactions energy: -882.766 where: short stacking energy: -375.287 Base-Backbone interact. energy: 1.126 local terms energy: -413.956509 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -93.600 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -88.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1220.387672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.387672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.387672 (E_RNA) where: Base-Base interactions energy: -793.981 where: short stacking energy: -370.320 Base-Backbone interact. energy: 1.754 local terms energy: -428.160742 where: bonds (distance) C4'-P energy: -80.442 bonds (distance) P-C4' energy: -85.629 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -103.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1084.826257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.826257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.826257 (E_RNA) where: Base-Base interactions energy: -728.058 where: short stacking energy: -313.521 Base-Backbone interact. energy: 4.728 local terms energy: -361.496304 where: bonds (distance) C4'-P energy: -79.873 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -89.929 flat angles P-C4'-P energy: -41.762 tors. eta vs tors. theta energy: -61.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -781.958293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.958293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.958293 (E_RNA) where: Base-Base interactions energy: -459.005 where: short stacking energy: -232.426 Base-Backbone interact. energy: 0.725 local terms energy: -323.678484 where: bonds (distance) C4'-P energy: -70.518 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -48.255 tors. eta vs tors. theta energy: -36.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -501.554593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.554593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.554593 (E_RNA) where: Base-Base interactions energy: -241.104 where: short stacking energy: -156.812 Base-Backbone interact. energy: 2.380 local terms energy: -262.830005 where: bonds (distance) C4'-P energy: -78.472 bonds (distance) P-C4' energy: -78.667 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -40.376 tors. eta vs tors. theta energy: 2.348 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: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1765.742101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.742101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.742101 (E_RNA) where: Base-Base interactions energy: -1225.453 where: short stacking energy: -544.751 Base-Backbone interact. energy: -2.248 local terms energy: -538.041253 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -93.322 flat angles C4'-P-C4' energy: -118.888 flat angles P-C4'-P energy: -82.098 tors. eta vs tors. theta energy: -149.635 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: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1668.098541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.098541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.098541 (E_RNA) where: Base-Base interactions energy: -1153.198 where: short stacking energy: -487.369 Base-Backbone interact. energy: 0.184 local terms energy: -515.084082 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -106.055 flat angles C4'-P-C4' energy: -105.292 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -135.937 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: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1596.153667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.153667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.153667 (E_RNA) where: Base-Base interactions energy: -1128.518 where: short stacking energy: -450.061 Base-Backbone interact. energy: 0.083 local terms energy: -467.718631 where: bonds (distance) C4'-P energy: -92.254 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -96.901 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: -125.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1563.359523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.359523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.359523 (E_RNA) where: Base-Base interactions energy: -1102.017 where: short stacking energy: -453.329 Base-Backbone interact. energy: 1.352 local terms energy: -462.694994 where: bonds (distance) C4'-P energy: -82.805 bonds (distance) P-C4' energy: -86.274 flat angles C4'-P-C4' energy: -103.164 flat angles P-C4'-P energy: -67.933 tors. eta vs tors. theta energy: -122.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1421.755794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.755794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.755794 (E_RNA) where: Base-Base interactions energy: -989.536 where: short stacking energy: -392.921 Base-Backbone interact. energy: -1.669 local terms energy: -430.550884 where: bonds (distance) C4'-P energy: -89.861 bonds (distance) P-C4' energy: -89.949 flat angles C4'-P-C4' energy: -98.357 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -88.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1317.168376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.168376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.168376 (E_RNA) where: Base-Base interactions energy: -899.313 where: short stacking energy: -385.554 Base-Backbone interact. energy: -3.766 local terms energy: -414.089649 where: bonds (distance) C4'-P energy: -74.699 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -94.381 flat angles P-C4'-P energy: -62.069 tors. eta vs tors. theta energy: -90.709 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1244.589844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.589844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.589844 (E_RNA) where: Base-Base interactions energy: -833.251 where: short stacking energy: -381.644 Base-Backbone interact. energy: 7.713 local terms energy: -419.052425 where: bonds (distance) C4'-P energy: -89.316 bonds (distance) P-C4' energy: -85.808 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -105.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1071.598036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.598036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.598036 (E_RNA) where: Base-Base interactions energy: -702.250 where: short stacking energy: -311.015 Base-Backbone interact. energy: -0.940 local terms energy: -368.408239 where: bonds (distance) C4'-P energy: -76.816 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -34.350 tors. eta vs tors. theta energy: -76.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -805.610579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.610579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.610579 (E_RNA) where: Base-Base interactions energy: -489.138 where: short stacking energy: -240.733 Base-Backbone interact. energy: -2.777 local terms energy: -313.695043 where: bonds (distance) C4'-P energy: -68.479 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -75.075 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -37.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -497.726129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.726129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.726129 (E_RNA) where: Base-Base interactions energy: -258.658 where: short stacking energy: -186.144 Base-Backbone interact. energy: 1.369 local terms energy: -240.437439 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -82.048 flat angles C4'-P-C4' energy: -68.399 flat angles P-C4'-P energy: -26.498 tors. eta vs tors. theta energy: 12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1758.143127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.143127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.143127 (E_RNA) where: Base-Base interactions energy: -1215.153 where: short stacking energy: -560.451 Base-Backbone interact. energy: -1.980 local terms energy: -541.009829 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -105.965 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -146.395 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: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1665.701711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.701711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.701711 (E_RNA) where: Base-Base interactions energy: -1173.012 where: short stacking energy: -471.337 Base-Backbone interact. energy: -0.744 local terms energy: -491.946122 where: bonds (distance) C4'-P energy: -86.552 bonds (distance) P-C4' energy: -87.824 flat angles C4'-P-C4' energy: -114.619 flat angles P-C4'-P energy: -74.060 tors. eta vs tors. theta energy: -128.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1607.061016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.061016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.061016 (E_RNA) where: Base-Base interactions energy: -1128.802 where: short stacking energy: -446.863 Base-Backbone interact. energy: -1.132 local terms energy: -477.126960 where: bonds (distance) C4'-P energy: -88.977 bonds (distance) P-C4' energy: -96.543 flat angles C4'-P-C4' energy: -105.952 flat angles P-C4'-P energy: -72.732 tors. eta vs tors. theta energy: -112.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1538.525400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.525400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.525400 (E_RNA) where: Base-Base interactions energy: -1076.222 where: short stacking energy: -463.979 Base-Backbone interact. energy: -3.231 local terms energy: -459.072779 where: bonds (distance) C4'-P energy: -79.520 bonds (distance) P-C4' energy: -91.013 flat angles C4'-P-C4' energy: -104.273 flat angles P-C4'-P energy: -62.762 tors. eta vs tors. theta energy: -121.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1467.890559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.890559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.890559 (E_RNA) where: Base-Base interactions energy: -1036.446 where: short stacking energy: -406.166 Base-Backbone interact. energy: 0.861 local terms energy: -432.305974 where: bonds (distance) C4'-P energy: -73.267 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -96.251 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -99.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1328.524292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.524292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.524292 (E_RNA) where: Base-Base interactions energy: -887.681 where: short stacking energy: -386.602 Base-Backbone interact. energy: -0.922 local terms energy: -439.921450 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -62.909 tors. eta vs tors. theta energy: -104.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1221.601258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.601258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.601258 (E_RNA) where: Base-Base interactions energy: -807.819 where: short stacking energy: -356.371 Base-Backbone interact. energy: -2.230 local terms energy: -411.552366 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -78.016 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -88.868 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: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1036.064973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.064973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.064973 (E_RNA) where: Base-Base interactions energy: -674.094 where: short stacking energy: -291.200 Base-Backbone interact. energy: -2.544 local terms energy: -359.427433 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -84.403 flat angles C4'-P-C4' energy: -85.157 flat angles P-C4'-P energy: -49.009 tors. eta vs tors. theta energy: -57.374 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: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -813.145523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.145523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.145523 (E_RNA) where: Base-Base interactions energy: -508.871 where: short stacking energy: -242.570 Base-Backbone interact. energy: -0.303 local terms energy: -303.971021 where: bonds (distance) C4'-P energy: -74.954 bonds (distance) P-C4' energy: -73.119 flat angles C4'-P-C4' energy: -82.941 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -37.130 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: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -488.559389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.559389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.559389 (E_RNA) where: Base-Base interactions energy: -228.029 where: short stacking energy: -153.122 Base-Backbone interact. energy: 0.617 local terms energy: -261.146626 where: bonds (distance) C4'-P energy: -76.994 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: 10.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1753.875922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.875922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.875922 (E_RNA) where: Base-Base interactions energy: -1216.666 where: short stacking energy: -542.487 Base-Backbone interact. energy: -0.975 local terms energy: -536.234771 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -94.605 flat angles C4'-P-C4' energy: -115.422 flat angles P-C4'-P energy: -74.797 tors. eta vs tors. theta energy: -157.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1675.360624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.360624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.360624 (E_RNA) where: Base-Base interactions energy: -1171.092 where: short stacking energy: -464.094 Base-Backbone interact. energy: -4.274 local terms energy: -499.994739 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -86.757 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -70.780 tors. eta vs tors. theta energy: -143.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1608.205469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.205469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.205469 (E_RNA) where: Base-Base interactions energy: -1119.959 where: short stacking energy: -466.526 Base-Backbone interact. energy: -3.382 local terms energy: -484.864117 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -88.085 flat angles C4'-P-C4' energy: -105.393 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -127.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1516.546784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.546784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.546784 (E_RNA) where: Base-Base interactions energy: -1066.313 where: short stacking energy: -436.066 Base-Backbone interact. energy: -1.815 local terms energy: -448.418493 where: bonds (distance) C4'-P energy: -82.238 bonds (distance) P-C4' energy: -84.384 flat angles C4'-P-C4' energy: -103.626 flat angles P-C4'-P energy: -63.782 tors. eta vs tors. theta energy: -114.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1443.127514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.127514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.127514 (E_RNA) where: Base-Base interactions energy: -1016.493 where: short stacking energy: -406.591 Base-Backbone interact. energy: -2.379 local terms energy: -424.255332 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -90.745 flat angles C4'-P-C4' energy: -93.008 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: -91.816 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: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1292.213164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.213164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.213164 (E_RNA) where: Base-Base interactions energy: -884.888 where: short stacking energy: -380.642 Base-Backbone interact. energy: 1.459 local terms energy: -408.783741 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -95.172 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: -91.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1243.435740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.435740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.435740 (E_RNA) where: Base-Base interactions energy: -814.626 where: short stacking energy: -378.620 Base-Backbone interact. energy: -0.606 local terms energy: -428.203250 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -81.518 flat angles C4'-P-C4' energy: -101.520 flat angles P-C4'-P energy: -69.644 tors. eta vs tors. theta energy: -98.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1082.455869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.455869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.455869 (E_RNA) where: Base-Base interactions energy: -723.600 where: short stacking energy: -307.212 Base-Backbone interact. energy: -0.304 local terms energy: -358.551615 where: bonds (distance) C4'-P energy: -70.273 bonds (distance) P-C4' energy: -76.409 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -50.496 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -843.674683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.674683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.674683 (E_RNA) where: Base-Base interactions energy: -537.342 where: short stacking energy: -277.863 Base-Backbone interact. energy: 2.541 local terms energy: -308.873664 where: bonds (distance) C4'-P energy: -72.230 bonds (distance) P-C4' energy: -74.915 flat angles C4'-P-C4' energy: -66.320 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -48.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -482.360189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.360189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.360189 (E_RNA) where: Base-Base interactions energy: -214.174 where: short stacking energy: -147.789 Base-Backbone interact. energy: 4.925 local terms energy: -273.110788 where: bonds (distance) C4'-P energy: -82.950 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -82.838 flat angles P-C4'-P energy: -20.539 tors. eta vs tors. theta energy: 3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1755.586984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.586984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.586984 (E_RNA) where: Base-Base interactions energy: -1206.459 where: short stacking energy: -537.199 Base-Backbone interact. energy: -0.391 local terms energy: -548.736796 where: bonds (distance) C4'-P energy: -102.532 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -109.411 flat angles P-C4'-P energy: -75.309 tors. eta vs tors. theta energy: -153.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1674.993476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.993476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.993476 (E_RNA) where: Base-Base interactions energy: -1157.363 where: short stacking energy: -450.414 Base-Backbone interact. energy: -3.511 local terms energy: -514.119119 where: bonds (distance) C4'-P energy: -101.223 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -102.195 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -142.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1589.858006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.858006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.858006 (E_RNA) where: Base-Base interactions energy: -1106.706 where: short stacking energy: -443.248 Base-Backbone interact. energy: 1.415 local terms energy: -484.566761 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -98.964 flat angles C4'-P-C4' energy: -105.532 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -126.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1500.622537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.622537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.622537 (E_RNA) where: Base-Base interactions energy: -1045.511 where: short stacking energy: -439.538 Base-Backbone interact. energy: -3.945 local terms energy: -451.166480 where: bonds (distance) C4'-P energy: -88.197 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -112.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1437.377038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.377038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.377038 (E_RNA) where: Base-Base interactions energy: -1020.366 where: short stacking energy: -403.125 Base-Backbone interact. energy: -3.213 local terms energy: -413.798449 where: bonds (distance) C4'-P energy: -70.652 bonds (distance) P-C4' energy: -97.139 flat angles C4'-P-C4' energy: -100.931 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -86.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1302.439934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.439934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.439934 (E_RNA) where: Base-Base interactions energy: -868.429 where: short stacking energy: -378.688 Base-Backbone interact. energy: -1.829 local terms energy: -432.182192 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -92.397 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -105.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1243.109829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.109829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.109829 (E_RNA) where: Base-Base interactions energy: -820.764 where: short stacking energy: -387.299 Base-Backbone interact. energy: 2.669 local terms energy: -425.014948 where: bonds (distance) C4'-P energy: -76.267 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -97.813 flat angles P-C4'-P energy: -81.735 tors. eta vs tors. theta energy: -102.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1045.449952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.449952 (E_RNA) where: Base-Base interactions energy: -667.657 where: short stacking energy: -299.207 Base-Backbone interact. energy: -0.665 local terms energy: -377.128035 where: bonds (distance) C4'-P energy: -85.963 bonds (distance) P-C4' energy: -85.787 flat angles C4'-P-C4' energy: -83.608 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: -65.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -816.268530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.268530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.268530 (E_RNA) where: Base-Base interactions energy: -509.657 where: short stacking energy: -233.208 Base-Backbone interact. energy: 1.087 local terms energy: -307.698323 where: bonds (distance) C4'-P energy: -74.012 bonds (distance) P-C4' energy: -85.127 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -22.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -513.500632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.500632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.500632 (E_RNA) where: Base-Base interactions energy: -231.197 where: short stacking energy: -144.892 Base-Backbone interact. energy: -0.160 local terms energy: -282.144185 where: bonds (distance) C4'-P energy: -90.187 bonds (distance) P-C4' energy: -83.995 flat angles C4'-P-C4' energy: -82.646 flat angles P-C4'-P energy: -28.698 tors. eta vs tors. theta energy: 3.382 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: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1768.251872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.251872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.251872 (E_RNA) where: Base-Base interactions energy: -1218.024 where: short stacking energy: -546.712 Base-Backbone interact. energy: -1.302 local terms energy: -548.925853 where: bonds (distance) C4'-P energy: -93.345 bonds (distance) P-C4' energy: -93.954 flat angles C4'-P-C4' energy: -125.581 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: -158.340 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: 3 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1674.551392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.551392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.551392 (E_RNA) where: Base-Base interactions energy: -1170.994 where: short stacking energy: -462.709 Base-Backbone interact. energy: 0.879 local terms energy: -504.436020 where: bonds (distance) C4'-P energy: -95.924 bonds (distance) P-C4' energy: -89.274 flat angles C4'-P-C4' energy: -108.886 flat angles P-C4'-P energy: -75.069 tors. eta vs tors. theta energy: -135.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1609.033282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.033282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.033282 (E_RNA) where: Base-Base interactions energy: -1119.906 where: short stacking energy: -486.157 Base-Backbone interact. energy: -4.144 local terms energy: -484.982681 where: bonds (distance) C4'-P energy: -87.541 bonds (distance) P-C4' energy: -96.303 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -130.975 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: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1513.728293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.728293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.728293 (E_RNA) where: Base-Base interactions energy: -1044.771 where: short stacking energy: -435.911 Base-Backbone interact. energy: 2.264 local terms energy: -471.220805 where: bonds (distance) C4'-P energy: -92.020 bonds (distance) P-C4' energy: -93.108 flat angles C4'-P-C4' energy: -103.007 flat angles P-C4'-P energy: -63.974 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1466.395349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.395349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.395349 (E_RNA) where: Base-Base interactions energy: -1046.227 where: short stacking energy: -401.769 Base-Backbone interact. energy: -0.825 local terms energy: -419.343939 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -97.089 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -43.119 tors. eta vs tors. theta energy: -99.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1353.560516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.560516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.560516 (E_RNA) where: Base-Base interactions energy: -945.877 where: short stacking energy: -395.436 Base-Backbone interact. energy: -0.541 local terms energy: -407.142916 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -91.333 flat angles C4'-P-C4' energy: -98.090 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -89.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1297.981677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.981677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.981677 (E_RNA) where: Base-Base interactions energy: -865.678 where: short stacking energy: -379.690 Base-Backbone interact. energy: 0.064 local terms energy: -432.367647 where: bonds (distance) C4'-P energy: -81.306 bonds (distance) P-C4' energy: -85.151 flat angles C4'-P-C4' energy: -91.829 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -105.261 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: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1028.015362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.015362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.015362 (E_RNA) where: Base-Base interactions energy: -669.355 where: short stacking energy: -309.115 Base-Backbone interact. energy: -0.193 local terms energy: -358.466662 where: bonds (distance) C4'-P energy: -74.593 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -82.069 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: -57.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -845.218024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.218024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.218024 (E_RNA) where: Base-Base interactions energy: -508.470 where: short stacking energy: -225.495 Base-Backbone interact. energy: -1.819 local terms energy: -334.929239 where: bonds (distance) C4'-P energy: -101.874 bonds (distance) P-C4' energy: -85.555 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -20.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -504.255856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.255856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.255856 (E_RNA) where: Base-Base interactions energy: -223.998 where: short stacking energy: -154.665 Base-Backbone interact. energy: 0.377 local terms energy: -280.635525 where: bonds (distance) C4'-P energy: -96.601 bonds (distance) P-C4' energy: -83.876 flat angles C4'-P-C4' energy: -73.206 flat angles P-C4'-P energy: -26.274 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1734.962680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.962680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.962680 (E_RNA) where: Base-Base interactions energy: -1197.582 where: short stacking energy: -552.878 Base-Backbone interact. energy: -3.759 local terms energy: -533.621010 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -117.414 flat angles P-C4'-P energy: -79.349 tors. eta vs tors. theta energy: -153.395 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: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1690.123421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.123421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.123421 (E_RNA) where: Base-Base interactions energy: -1178.417 where: short stacking energy: -464.905 Base-Backbone interact. energy: -5.444 local terms energy: -506.262230 where: bonds (distance) C4'-P energy: -91.610 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -112.832 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -132.852 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: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1621.171935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.171935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.171935 (E_RNA) where: Base-Base interactions energy: -1135.820 where: short stacking energy: -477.690 Base-Backbone interact. energy: -2.522 local terms energy: -482.830468 where: bonds (distance) C4'-P energy: -83.268 bonds (distance) P-C4' energy: -89.302 flat angles C4'-P-C4' energy: -105.623 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: -135.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1484.740144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.740144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.740144 (E_RNA) where: Base-Base interactions energy: -1034.306 where: short stacking energy: -412.103 Base-Backbone interact. energy: -2.650 local terms energy: -447.784255 where: bonds (distance) C4'-P energy: -70.861 bonds (distance) P-C4' energy: -89.003 flat angles C4'-P-C4' energy: -107.142 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -105.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1457.823740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.823740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.823740 (E_RNA) where: Base-Base interactions energy: -1036.212 where: short stacking energy: -411.401 Base-Backbone interact. energy: 1.734 local terms energy: -423.346172 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -93.663 flat angles C4'-P-C4' energy: -91.059 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -96.648 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: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1364.148615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.148615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.148615 (E_RNA) where: Base-Base interactions energy: -909.704 where: short stacking energy: -395.208 Base-Backbone interact. energy: -2.132 local terms energy: -452.312853 where: bonds (distance) C4'-P energy: -89.964 bonds (distance) P-C4' energy: -102.867 flat angles C4'-P-C4' energy: -91.745 flat angles P-C4'-P energy: -64.288 tors. eta vs tors. theta energy: -103.449 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: 192 Temperature: 1.200000 Total energy: -1215.091180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.091180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.091180 (E_RNA) where: Base-Base interactions energy: -817.788 where: short stacking energy: -372.097 Base-Backbone interact. energy: 6.024 local terms energy: -403.327023 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -78.627 flat angles C4'-P-C4' energy: -82.450 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: -98.490 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: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1035.568234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.568234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.568234 (E_RNA) where: Base-Base interactions energy: -680.216 where: short stacking energy: -275.520 Base-Backbone interact. energy: -1.095 local terms energy: -354.256932 where: bonds (distance) C4'-P energy: -80.804 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -76.864 flat angles P-C4'-P energy: -54.578 tors. eta vs tors. theta energy: -54.035 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: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -853.298883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.298883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.298883 (E_RNA) where: Base-Base interactions energy: -520.904 where: short stacking energy: -251.589 Base-Backbone interact. energy: -1.776 local terms energy: -330.619010 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -87.729 flat angles C4'-P-C4' energy: -76.714 flat angles P-C4'-P energy: -30.908 tors. eta vs tors. theta energy: -51.258 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: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -508.929617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.929617 (E_RNA) where: Base-Base interactions energy: -227.682 where: short stacking energy: -156.750 Base-Backbone interact. energy: 0.947 local terms energy: -282.194108 where: bonds (distance) C4'-P energy: -83.777 bonds (distance) P-C4' energy: -78.202 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -29.643 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1740.964944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.964944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.964944 (E_RNA) where: Base-Base interactions energy: -1204.674 where: short stacking energy: -528.018 Base-Backbone interact. energy: 4.015 local terms energy: -540.305764 where: bonds (distance) C4'-P energy: -104.286 bonds (distance) P-C4' energy: -106.399 flat angles C4'-P-C4' energy: -105.849 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -159.422 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: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1702.970003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.970003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.970003 (E_RNA) where: Base-Base interactions energy: -1187.976 where: short stacking energy: -463.248 Base-Backbone interact. energy: -6.563 local terms energy: -508.431104 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -97.056 flat angles C4'-P-C4' energy: -111.709 flat angles P-C4'-P energy: -78.689 tors. eta vs tors. theta energy: -138.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1634.824145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.824145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.824145 (E_RNA) where: Base-Base interactions energy: -1148.327 where: short stacking energy: -481.413 Base-Backbone interact. energy: -1.910 local terms energy: -484.586841 where: bonds (distance) C4'-P energy: -97.060 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -133.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1507.995143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.995143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.995143 (E_RNA) where: Base-Base interactions energy: -1033.829 where: short stacking energy: -416.577 Base-Backbone interact. energy: -1.572 local terms energy: -472.593611 where: bonds (distance) C4'-P energy: -93.225 bonds (distance) P-C4' energy: -96.090 flat angles C4'-P-C4' energy: -104.292 flat angles P-C4'-P energy: -69.197 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1432.019484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.019484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.019484 (E_RNA) where: Base-Base interactions energy: -1011.703 where: short stacking energy: -434.766 Base-Backbone interact. energy: -0.074 local terms energy: -420.242625 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -90.009 flat angles C4'-P-C4' energy: -92.193 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -102.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1353.607472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.607472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.607472 (E_RNA) where: Base-Base interactions energy: -913.556 where: short stacking energy: -397.897 Base-Backbone interact. energy: -3.118 local terms energy: -436.933102 where: bonds (distance) C4'-P energy: -89.392 bonds (distance) P-C4' energy: -81.009 flat angles C4'-P-C4' energy: -97.758 flat angles P-C4'-P energy: -58.441 tors. eta vs tors. theta energy: -110.332 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: 193 Temperature: 1.200000 Total energy: -1216.666130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.666130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.666130 (E_RNA) where: Base-Base interactions energy: -778.370 where: short stacking energy: -362.853 Base-Backbone interact. energy: -2.486 local terms energy: -435.810468 where: bonds (distance) C4'-P energy: -95.241 bonds (distance) P-C4' energy: -96.913 flat angles C4'-P-C4' energy: -97.828 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -84.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1070.122089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.122089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.122089 (E_RNA) where: Base-Base interactions energy: -696.568 where: short stacking energy: -293.420 Base-Backbone interact. energy: 1.879 local terms energy: -375.433151 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -80.806 flat angles C4'-P-C4' energy: -89.280 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -69.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -870.185544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.185544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.185544 (E_RNA) where: Base-Base interactions energy: -545.011 where: short stacking energy: -272.175 Base-Backbone interact. energy: 0.841 local terms energy: -326.015780 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -79.181 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: -49.624 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: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -533.173136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.173136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.173136 (E_RNA) where: Base-Base interactions energy: -278.253 where: short stacking energy: -167.902 Base-Backbone interact. energy: -0.316 local terms energy: -254.603887 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -77.532 flat angles C4'-P-C4' energy: -60.138 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: 2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1764.437802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.437802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.437802 (E_RNA) where: Base-Base interactions energy: -1197.013 where: short stacking energy: -549.160 Base-Backbone interact. energy: -1.215 local terms energy: -566.209838 where: bonds (distance) C4'-P energy: -94.520 bonds (distance) P-C4' energy: -103.407 flat angles C4'-P-C4' energy: -122.887 flat angles P-C4'-P energy: -83.085 tors. eta vs tors. theta energy: -162.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1685.628509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.628509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.628509 (E_RNA) where: Base-Base interactions energy: -1169.477 where: short stacking energy: -452.392 Base-Backbone interact. energy: -2.705 local terms energy: -513.446054 where: bonds (distance) C4'-P energy: -92.342 bonds (distance) P-C4' energy: -104.332 flat angles C4'-P-C4' energy: -102.103 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -134.216 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1592.924690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.924690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.924690 (E_RNA) where: Base-Base interactions energy: -1102.044 where: short stacking energy: -479.784 Base-Backbone interact. energy: -1.902 local terms energy: -488.979314 where: bonds (distance) C4'-P energy: -93.142 bonds (distance) P-C4' energy: -81.634 flat angles C4'-P-C4' energy: -110.813 flat angles P-C4'-P energy: -74.654 tors. eta vs tors. theta energy: -128.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1510.150526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.150526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.150526 (E_RNA) where: Base-Base interactions energy: -1093.759 where: short stacking energy: -422.187 Base-Backbone interact. energy: 0.282 local terms energy: -416.673739 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -86.806 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -100.952 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1511.070419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.070419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.070419 (E_RNA) where: Base-Base interactions energy: -1051.888 where: short stacking energy: -444.728 Base-Backbone interact. energy: -2.273 local terms energy: -456.909627 where: bonds (distance) C4'-P energy: -78.420 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -66.968 tors. eta vs tors. theta energy: -121.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1338.019274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.019274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.019274 (E_RNA) where: Base-Base interactions energy: -894.900 where: short stacking energy: -371.525 Base-Backbone interact. energy: -3.058 local terms energy: -440.061829 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -102.750 flat angles P-C4'-P energy: -73.310 tors. eta vs tors. theta energy: -100.332 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: 194 Temperature: 1.200000 Total energy: -1184.755694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.755694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.755694 (E_RNA) where: Base-Base interactions energy: -791.330 where: short stacking energy: -345.717 Base-Backbone interact. energy: 6.870 local terms energy: -400.295485 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -90.282 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: -74.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1105.162901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.162901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.162901 (E_RNA) where: Base-Base interactions energy: -731.098 where: short stacking energy: -329.773 Base-Backbone interact. energy: -1.021 local terms energy: -373.043748 where: bonds (distance) C4'-P energy: -80.436 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -100.508 flat angles P-C4'-P energy: -55.358 tors. eta vs tors. theta energy: -66.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -854.611967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.611967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.611967 (E_RNA) where: Base-Base interactions energy: -520.468 where: short stacking energy: -267.978 Base-Backbone interact. energy: 0.445 local terms energy: -334.588622 where: bonds (distance) C4'-P energy: -81.047 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -85.741 flat angles P-C4'-P energy: -43.648 tors. eta vs tors. theta energy: -40.982 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: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -520.556158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.556158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.556158 (E_RNA) where: Base-Base interactions energy: -234.730 where: short stacking energy: -151.435 Base-Backbone interact. energy: -1.391 local terms energy: -284.435682 where: bonds (distance) C4'-P energy: -68.850 bonds (distance) P-C4' energy: -99.830 flat angles C4'-P-C4' energy: -69.585 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1741.793011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.793011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.793011 (E_RNA) where: Base-Base interactions energy: -1205.768 where: short stacking energy: -548.583 Base-Backbone interact. energy: -2.055 local terms energy: -533.970032 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -96.855 flat angles C4'-P-C4' energy: -106.448 flat angles P-C4'-P energy: -83.695 tors. eta vs tors. theta energy: -156.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1689.750440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.750440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.750440 (E_RNA) where: Base-Base interactions energy: -1171.796 where: short stacking energy: -464.955 Base-Backbone interact. energy: -5.632 local terms energy: -512.321800 where: bonds (distance) C4'-P energy: -95.774 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -108.818 flat angles P-C4'-P energy: -70.102 tors. eta vs tors. theta energy: -134.423 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: 195 Temperature: 1.000000 Total energy: -1602.531936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.531936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.531936 (E_RNA) where: Base-Base interactions energy: -1126.038 where: short stacking energy: -467.993 Base-Backbone interact. energy: 0.059 local terms energy: -476.552790 where: bonds (distance) C4'-P energy: -95.557 bonds (distance) P-C4' energy: -89.925 flat angles C4'-P-C4' energy: -111.065 flat angles P-C4'-P energy: -66.407 tors. eta vs tors. theta energy: -113.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1574.855786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.855786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.855786 (E_RNA) where: Base-Base interactions energy: -1107.556 where: short stacking energy: -462.110 Base-Backbone interact. energy: -0.722 local terms energy: -466.577810 where: bonds (distance) C4'-P energy: -74.833 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -99.352 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -121.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1470.713579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.713579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.713579 (E_RNA) where: Base-Base interactions energy: -1025.090 where: short stacking energy: -415.006 Base-Backbone interact. energy: -6.043 local terms energy: -439.580777 where: bonds (distance) C4'-P energy: -79.038 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -59.891 tors. eta vs tors. theta energy: -99.623 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: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1338.640791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.640791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.640791 (E_RNA) where: Base-Base interactions energy: -898.259 where: short stacking energy: -382.655 Base-Backbone interact. energy: -3.260 local terms energy: -437.122330 where: bonds (distance) C4'-P energy: -85.782 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -103.559 flat angles P-C4'-P energy: -64.956 tors. eta vs tors. theta energy: -90.559 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: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1206.934140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.934140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.934140 (E_RNA) where: Base-Base interactions energy: -802.741 where: short stacking energy: -358.964 Base-Backbone interact. energy: -1.183 local terms energy: -403.009953 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -85.770 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -89.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1087.975345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.975345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.975345 (E_RNA) where: Base-Base interactions energy: -724.817 where: short stacking energy: -302.076 Base-Backbone interact. energy: -3.282 local terms energy: -359.876622 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -76.188 flat angles C4'-P-C4' energy: -85.313 flat angles P-C4'-P energy: -54.204 tors. eta vs tors. theta energy: -55.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -858.222694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.222694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.222694 (E_RNA) where: Base-Base interactions energy: -532.902 where: short stacking energy: -228.744 Base-Backbone interact. energy: 0.097 local terms energy: -325.417342 where: bonds (distance) C4'-P energy: -82.419 bonds (distance) P-C4' energy: -81.577 flat angles C4'-P-C4' energy: -73.698 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -42.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -477.881998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.881998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.881998 (E_RNA) where: Base-Base interactions energy: -222.554 where: short stacking energy: -128.477 Base-Backbone interact. energy: -1.538 local terms energy: -253.790193 where: bonds (distance) C4'-P energy: -78.981 bonds (distance) P-C4' energy: -84.498 flat angles C4'-P-C4' energy: -64.389 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: 9.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1768.294552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.294552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.294552 (E_RNA) where: Base-Base interactions energy: -1221.180 where: short stacking energy: -545.490 Base-Backbone interact. energy: -2.982 local terms energy: -544.131884 where: bonds (distance) C4'-P energy: -92.273 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -117.258 flat angles P-C4'-P energy: -77.770 tors. eta vs tors. theta energy: -161.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1673.206735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.206735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.206735 (E_RNA) where: Base-Base interactions energy: -1171.765 where: short stacking energy: -461.429 Base-Backbone interact. energy: -2.945 local terms energy: -498.496699 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -93.701 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -76.211 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: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1577.871002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.871002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.871002 (E_RNA) where: Base-Base interactions energy: -1112.952 where: short stacking energy: -450.721 Base-Backbone interact. energy: 1.179 local terms energy: -466.098574 where: bonds (distance) C4'-P energy: -80.031 bonds (distance) P-C4' energy: -94.502 flat angles C4'-P-C4' energy: -104.261 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -120.402 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: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1563.598622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.598622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.598622 (E_RNA) where: Base-Base interactions energy: -1096.987 where: short stacking energy: -479.230 Base-Backbone interact. energy: -3.687 local terms energy: -462.924730 where: bonds (distance) C4'-P energy: -77.908 bonds (distance) P-C4' energy: -89.976 flat angles C4'-P-C4' energy: -101.908 flat angles P-C4'-P energy: -64.779 tors. eta vs tors. theta energy: -128.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1464.137769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.137769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.137769 (E_RNA) where: Base-Base interactions energy: -1015.073 where: short stacking energy: -405.981 Base-Backbone interact. energy: 0.371 local terms energy: -449.435584 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -103.995 flat angles C4'-P-C4' energy: -97.654 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -105.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1349.248712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.248712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.248712 (E_RNA) where: Base-Base interactions energy: -897.169 where: short stacking energy: -381.987 Base-Backbone interact. energy: -2.437 local terms energy: -449.641913 where: bonds (distance) C4'-P energy: -97.574 bonds (distance) P-C4' energy: -81.762 flat angles C4'-P-C4' energy: -91.657 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -100.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1151.244962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.244962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.244962 (E_RNA) where: Base-Base interactions energy: -745.744 where: short stacking energy: -333.649 Base-Backbone interact. energy: -1.164 local terms energy: -404.337288 where: bonds (distance) C4'-P energy: -97.386 bonds (distance) P-C4' energy: -95.602 flat angles C4'-P-C4' energy: -87.675 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: -81.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1201.541004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.541004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.541004 (E_RNA) where: Base-Base interactions energy: -804.348 where: short stacking energy: -345.464 Base-Backbone interact. energy: -2.396 local terms energy: -394.797127 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -78.423 flat angles C4'-P-C4' energy: -80.061 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -86.768 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: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -868.251632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.251632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.251632 (E_RNA) where: Base-Base interactions energy: -572.581 where: short stacking energy: -275.131 Base-Backbone interact. energy: 0.249 local terms energy: -295.919786 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -76.471 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -35.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -531.864827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.864827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.864827 (E_RNA) where: Base-Base interactions energy: -258.156 where: short stacking energy: -136.292 Base-Backbone interact. energy: -1.705 local terms energy: -272.003554 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -70.928 flat angles C4'-P-C4' energy: -73.562 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: 3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1764.952956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.952956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.952956 (E_RNA) where: Base-Base interactions energy: -1204.646 where: short stacking energy: -539.352 Base-Backbone interact. energy: -0.642 local terms energy: -559.665210 where: bonds (distance) C4'-P energy: -96.817 bonds (distance) P-C4' energy: -101.643 flat angles C4'-P-C4' energy: -122.856 flat angles P-C4'-P energy: -78.812 tors. eta vs tors. theta energy: -159.537 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: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1685.147492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.147492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.147492 (E_RNA) where: Base-Base interactions energy: -1169.910 where: short stacking energy: -449.578 Base-Backbone interact. energy: -4.641 local terms energy: -510.596740 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -79.019 flat angles C4'-P-C4' energy: -112.509 flat angles P-C4'-P energy: -77.260 tors. eta vs tors. theta energy: -137.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1596.792895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.792895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.792895 (E_RNA) where: Base-Base interactions energy: -1121.917 where: short stacking energy: -428.145 Base-Backbone interact. energy: -1.970 local terms energy: -472.905874 where: bonds (distance) C4'-P energy: -92.788 bonds (distance) P-C4' energy: -97.200 flat angles C4'-P-C4' energy: -107.433 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: -109.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1560.759897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.759897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.759897 (E_RNA) where: Base-Base interactions energy: -1099.458 where: short stacking energy: -442.524 Base-Backbone interact. energy: -2.908 local terms energy: -458.393887 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -85.749 flat angles C4'-P-C4' energy: -98.392 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: -112.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1498.222132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.222132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.222132 (E_RNA) where: Base-Base interactions energy: -1064.457 where: short stacking energy: -445.492 Base-Backbone interact. energy: -0.047 local terms energy: -433.718041 where: bonds (distance) C4'-P energy: -91.213 bonds (distance) P-C4' energy: -71.542 flat angles C4'-P-C4' energy: -97.249 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -120.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1301.255651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.255651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.255651 (E_RNA) where: Base-Base interactions energy: -889.115 where: short stacking energy: -393.758 Base-Backbone interact. energy: -0.005 local terms energy: -412.135207 where: bonds (distance) C4'-P energy: -78.401 bonds (distance) P-C4' energy: -76.844 flat angles C4'-P-C4' energy: -92.359 flat angles P-C4'-P energy: -59.303 tors. eta vs tors. theta energy: -105.228 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: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1120.717492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.717492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.717492 (E_RNA) where: Base-Base interactions energy: -775.988 where: short stacking energy: -316.901 Base-Backbone interact. energy: 2.308 local terms energy: -347.037050 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -74.180 flat angles C4'-P-C4' energy: -75.463 flat angles P-C4'-P energy: -55.647 tors. eta vs tors. theta energy: -63.990 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: 197 Temperature: 1.250000 Total energy: -1235.794165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.794165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.794165 (E_RNA) where: Base-Base interactions energy: -806.272 where: short stacking energy: -372.697 Base-Backbone interact. energy: 2.055 local terms energy: -431.577324 where: bonds (distance) C4'-P energy: -83.201 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -96.384 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: -102.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -828.569745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.569745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.569745 (E_RNA) where: Base-Base interactions energy: -546.712 where: short stacking energy: -262.733 Base-Backbone interact. energy: 2.966 local terms energy: -284.823480 where: bonds (distance) C4'-P energy: -73.865 bonds (distance) P-C4' energy: -62.615 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -32.699 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: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -499.548336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.548336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.548336 (E_RNA) where: Base-Base interactions energy: -212.564 where: short stacking energy: -117.200 Base-Backbone interact. energy: 1.454 local terms energy: -288.439264 where: bonds (distance) C4'-P energy: -75.369 bonds (distance) P-C4' energy: -97.549 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: 10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1752.384609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.384609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.384609 (E_RNA) where: Base-Base interactions energy: -1201.975 where: short stacking energy: -539.018 Base-Backbone interact. energy: -0.197 local terms energy: -550.212494 where: bonds (distance) C4'-P energy: -105.254 bonds (distance) P-C4' energy: -99.975 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -79.552 tors. eta vs tors. theta energy: -151.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1678.498781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.498781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.498781 (E_RNA) where: Base-Base interactions energy: -1165.567 where: short stacking energy: -469.230 Base-Backbone interact. energy: -2.988 local terms energy: -509.943675 where: bonds (distance) C4'-P energy: -106.997 bonds (distance) P-C4' energy: -94.799 flat angles C4'-P-C4' energy: -106.501 flat angles P-C4'-P energy: -67.783 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: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1610.831037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.831037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.831037 (E_RNA) where: Base-Base interactions energy: -1124.691 where: short stacking energy: -467.484 Base-Backbone interact. energy: -2.581 local terms energy: -483.558718 where: bonds (distance) C4'-P energy: -85.638 bonds (distance) P-C4' energy: -100.555 flat angles C4'-P-C4' energy: -110.434 flat angles P-C4'-P energy: -58.890 tors. eta vs tors. theta energy: -128.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1531.179085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.179085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.179085 (E_RNA) where: Base-Base interactions energy: -1065.965 where: short stacking energy: -418.343 Base-Backbone interact. energy: -0.873 local terms energy: -464.341775 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -106.034 flat angles P-C4'-P energy: -69.679 tors. eta vs tors. theta energy: -106.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1485.990531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.990531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.990531 (E_RNA) where: Base-Base interactions energy: -1060.451 where: short stacking energy: -425.246 Base-Backbone interact. energy: -1.476 local terms energy: -424.063757 where: bonds (distance) C4'-P energy: -84.513 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -106.644 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: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1401.047246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.047246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.047246 (E_RNA) where: Base-Base interactions energy: -950.200 where: short stacking energy: -397.810 Base-Backbone interact. energy: -2.257 local terms energy: -448.589937 where: bonds (distance) C4'-P energy: -87.310 bonds (distance) P-C4' energy: -93.071 flat angles C4'-P-C4' energy: -90.655 flat angles P-C4'-P energy: -73.986 tors. eta vs tors. theta energy: -103.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1220.614242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.614242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.614242 (E_RNA) where: Base-Base interactions energy: -811.960 where: short stacking energy: -363.267 Base-Backbone interact. energy: -1.133 local terms energy: -407.521321 where: bonds (distance) C4'-P energy: -78.315 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -90.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1043.062639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.062639 (E_RNA) where: Base-Base interactions energy: -709.368 where: short stacking energy: -303.016 Base-Backbone interact. energy: -1.807 local terms energy: -331.887552 where: bonds (distance) C4'-P energy: -91.086 bonds (distance) P-C4' energy: -55.174 flat angles C4'-P-C4' energy: -76.688 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -60.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -813.627019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.627019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.627019 (E_RNA) where: Base-Base interactions energy: -501.111 where: short stacking energy: -233.170 Base-Backbone interact. energy: 1.187 local terms energy: -313.703037 where: bonds (distance) C4'-P energy: -80.712 bonds (distance) P-C4' energy: -74.762 flat angles C4'-P-C4' energy: -78.647 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -34.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -543.436812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.436812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.436812 (E_RNA) where: Base-Base interactions energy: -248.422 where: short stacking energy: -139.929 Base-Backbone interact. energy: -1.788 local terms energy: -293.227136 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -78.208 flat angles C4'-P-C4' energy: -73.628 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: 0.926 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1765.272149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.272149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.272149 (E_RNA) where: Base-Base interactions energy: -1223.053 where: short stacking energy: -548.152 Base-Backbone interact. energy: -2.749 local terms energy: -539.469480 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -97.828 flat angles C4'-P-C4' energy: -111.801 flat angles P-C4'-P energy: -76.935 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: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1687.453758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.453758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.453758 (E_RNA) where: Base-Base interactions energy: -1176.886 where: short stacking energy: -461.917 Base-Backbone interact. energy: -3.072 local terms energy: -507.495830 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -102.701 flat angles C4'-P-C4' energy: -101.683 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: -134.822 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: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1624.934636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.934636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.934636 (E_RNA) where: Base-Base interactions energy: -1165.332 where: short stacking energy: -459.839 Base-Backbone interact. energy: 1.305 local terms energy: -460.907559 where: bonds (distance) C4'-P energy: -90.029 bonds (distance) P-C4' energy: -86.786 flat angles C4'-P-C4' energy: -100.973 flat angles P-C4'-P energy: -57.808 tors. eta vs tors. theta energy: -125.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1531.038366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.038366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.038366 (E_RNA) where: Base-Base interactions energy: -1064.875 where: short stacking energy: -427.944 Base-Backbone interact. energy: -2.744 local terms energy: -463.419595 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -98.608 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -115.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1488.506420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.506420 (E_RNA) where: Base-Base interactions energy: -1036.071 where: short stacking energy: -407.240 Base-Backbone interact. energy: 0.701 local terms energy: -453.136564 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -106.799 flat angles C4'-P-C4' energy: -97.007 flat angles P-C4'-P energy: -58.122 tors. eta vs tors. theta energy: -103.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1290.867110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.867110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.867110 (E_RNA) where: Base-Base interactions energy: -889.764 where: short stacking energy: -388.684 Base-Backbone interact. energy: -2.791 local terms energy: -398.311647 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -77.845 flat angles C4'-P-C4' energy: -102.974 flat angles P-C4'-P energy: -59.917 tors. eta vs tors. theta energy: -77.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1249.999384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.999384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.999384 (E_RNA) where: Base-Base interactions energy: -828.993 where: short stacking energy: -373.051 Base-Backbone interact. energy: -0.100 local terms energy: -420.906407 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -65.927 tors. eta vs tors. theta energy: -91.515 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: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1072.388035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.388035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.388035 (E_RNA) where: Base-Base interactions energy: -697.143 where: short stacking energy: -308.372 Base-Backbone interact. energy: 1.797 local terms energy: -377.042055 where: bonds (distance) C4'-P energy: -86.990 bonds (distance) P-C4' energy: -88.592 flat angles C4'-P-C4' energy: -80.283 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -71.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -856.910221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.910221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.910221 (E_RNA) where: Base-Base interactions energy: -531.527 where: short stacking energy: -253.185 Base-Backbone interact. energy: 0.914 local terms energy: -326.297312 where: bonds (distance) C4'-P energy: -73.064 bonds (distance) P-C4' energy: -91.050 flat angles C4'-P-C4' energy: -70.366 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -38.557 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: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -573.660887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.660887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.660887 (E_RNA) where: Base-Base interactions energy: -283.303 where: short stacking energy: -144.659 Base-Backbone interact. energy: 2.618 local terms energy: -292.976379 where: bonds (distance) C4'-P energy: -79.319 bonds (distance) P-C4' energy: -86.517 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -45.098 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: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1788.452259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.452259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.452259 (E_RNA) where: Base-Base interactions energy: -1244.296 where: short stacking energy: -546.058 Base-Backbone interact. energy: -3.262 local terms energy: -540.894028 where: bonds (distance) C4'-P energy: -95.760 bonds (distance) P-C4' energy: -98.390 flat angles C4'-P-C4' energy: -105.388 flat angles P-C4'-P energy: -81.588 tors. eta vs tors. theta energy: -159.768 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: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1685.656649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.656649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.656649 (E_RNA) where: Base-Base interactions energy: -1170.418 where: short stacking energy: -462.479 Base-Backbone interact. energy: -1.418 local terms energy: -513.821413 where: bonds (distance) C4'-P energy: -95.374 bonds (distance) P-C4' energy: -103.635 flat angles C4'-P-C4' energy: -112.696 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: -130.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1569.421338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.421338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.421338 (E_RNA) where: Base-Base interactions energy: -1113.040 where: short stacking energy: -458.653 Base-Backbone interact. energy: -2.448 local terms energy: -453.933851 where: bonds (distance) C4'-P energy: -84.374 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -99.580 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: -116.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1547.773077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.773077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.773077 (E_RNA) where: Base-Base interactions energy: -1072.449 where: short stacking energy: -452.127 Base-Backbone interact. energy: -0.995 local terms energy: -474.328961 where: bonds (distance) C4'-P energy: -92.474 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -102.685 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -121.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1513.444869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.444869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.444869 (E_RNA) where: Base-Base interactions energy: -1069.820 where: short stacking energy: -432.855 Base-Backbone interact. energy: 0.681 local terms energy: -444.306248 where: bonds (distance) C4'-P energy: -78.564 bonds (distance) P-C4' energy: -99.746 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -106.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1346.207102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.207102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.207102 (E_RNA) where: Base-Base interactions energy: -894.708 where: short stacking energy: -415.209 Base-Backbone interact. energy: 1.143 local terms energy: -452.641284 where: bonds (distance) C4'-P energy: -84.176 bonds (distance) P-C4' energy: -90.755 flat angles C4'-P-C4' energy: -99.118 flat angles P-C4'-P energy: -60.230 tors. eta vs tors. theta energy: -118.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1225.917143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.917143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.917143 (E_RNA) where: Base-Base interactions energy: -811.941 where: short stacking energy: -387.468 Base-Backbone interact. energy: -0.680 local terms energy: -413.296608 where: bonds (distance) C4'-P energy: -82.995 bonds (distance) P-C4' energy: -87.467 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -53.861 tors. eta vs tors. theta energy: -90.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -989.408197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.408197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.408197 (E_RNA) where: Base-Base interactions energy: -629.717 where: short stacking energy: -290.509 Base-Backbone interact. energy: -2.291 local terms energy: -357.400871 where: bonds (distance) C4'-P energy: -74.489 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: -55.669 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: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -888.630970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.630970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.630970 (E_RNA) where: Base-Base interactions energy: -545.908 where: short stacking energy: -252.627 Base-Backbone interact. energy: -0.346 local terms energy: -342.377446 where: bonds (distance) C4'-P energy: -74.207 bonds (distance) P-C4' energy: -86.102 flat angles C4'-P-C4' energy: -83.173 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: -50.096 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: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -508.548787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.548787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.548787 (E_RNA) where: Base-Base interactions energy: -239.518 where: short stacking energy: -140.924 Base-Backbone interact. energy: 3.169 local terms energy: -272.199612 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -78.269 flat angles C4'-P-C4' energy: -77.763 flat angles P-C4'-P energy: -39.128 tors. eta vs tors. theta energy: -2.241 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: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1763.074522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.074522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.074522 (E_RNA) where: Base-Base interactions energy: -1195.089 where: short stacking energy: -536.473 Base-Backbone interact. energy: -2.359 local terms energy: -565.626101 where: bonds (distance) C4'-P energy: -101.850 bonds (distance) P-C4' energy: -99.795 flat angles C4'-P-C4' energy: -122.037 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -168.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1672.034596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.034596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.034596 (E_RNA) where: Base-Base interactions energy: -1178.234 where: short stacking energy: -458.856 Base-Backbone interact. energy: -2.930 local terms energy: -490.870300 where: bonds (distance) C4'-P energy: -91.542 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -102.514 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -129.177 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: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1620.292998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.292998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.292998 (E_RNA) where: Base-Base interactions energy: -1121.172 where: short stacking energy: -478.243 Base-Backbone interact. energy: -2.692 local terms energy: -496.429190 where: bonds (distance) C4'-P energy: -95.569 bonds (distance) P-C4' energy: -87.850 flat angles C4'-P-C4' energy: -105.078 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -132.178 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: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1557.653696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.653696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.653696 (E_RNA) where: Base-Base interactions energy: -1106.791 where: short stacking energy: -452.250 Base-Backbone interact. energy: -3.406 local terms energy: -447.456723 where: bonds (distance) C4'-P energy: -83.633 bonds (distance) P-C4' energy: -78.158 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -69.101 tors. eta vs tors. theta energy: -118.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1479.272016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.272016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.272016 (E_RNA) where: Base-Base interactions energy: -1047.562 where: short stacking energy: -427.892 Base-Backbone interact. energy: 1.377 local terms energy: -433.087211 where: bonds (distance) C4'-P energy: -86.781 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -104.198 flat angles P-C4'-P energy: -55.826 tors. eta vs tors. theta energy: -103.612 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: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1370.888380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.888380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.888380 (E_RNA) where: Base-Base interactions energy: -939.647 where: short stacking energy: -401.502 Base-Backbone interact. energy: -1.000 local terms energy: -430.240700 where: bonds (distance) C4'-P energy: -90.756 bonds (distance) P-C4' energy: -86.824 flat angles C4'-P-C4' energy: -90.854 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -124.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1245.582454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.582454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.582454 (E_RNA) where: Base-Base interactions energy: -826.888 where: short stacking energy: -380.318 Base-Backbone interact. energy: -1.331 local terms energy: -417.363602 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -98.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1036.406582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.406582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.406582 (E_RNA) where: Base-Base interactions energy: -690.415 where: short stacking energy: -300.989 Base-Backbone interact. energy: -1.702 local terms energy: -344.288901 where: bonds (distance) C4'-P energy: -84.426 bonds (distance) P-C4' energy: -84.211 flat angles C4'-P-C4' energy: -87.786 flat angles P-C4'-P energy: -39.926 tors. eta vs tors. theta energy: -47.940 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: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -855.398272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.398272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.398272 (E_RNA) where: Base-Base interactions energy: -502.325 where: short stacking energy: -236.081 Base-Backbone interact. energy: -1.986 local terms energy: -351.086970 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -91.751 flat angles C4'-P-C4' energy: -77.164 flat angles P-C4'-P energy: -56.650 tors. eta vs tors. theta energy: -45.490 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: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -519.435792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.435792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.435792 (E_RNA) where: Base-Base interactions energy: -271.210 where: short stacking energy: -165.263 Base-Backbone interact. energy: -1.324 local terms energy: -246.901664 where: bonds (distance) C4'-P energy: -65.505 bonds (distance) P-C4' energy: -74.440 flat angles C4'-P-C4' energy: -56.455 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: 8.231 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: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1792.254065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.254065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.254065 (E_RNA) where: Base-Base interactions energy: -1225.663 where: short stacking energy: -536.955 Base-Backbone interact. energy: -1.559 local terms energy: -565.032215 where: bonds (distance) C4'-P energy: -101.542 bonds (distance) P-C4' energy: -101.930 flat angles C4'-P-C4' energy: -114.492 flat angles P-C4'-P energy: -79.343 tors. eta vs tors. theta energy: -167.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1662.586112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.586112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.586112 (E_RNA) where: Base-Base interactions energy: -1165.841 where: short stacking energy: -466.727 Base-Backbone interact. energy: -0.643 local terms energy: -496.102408 where: bonds (distance) C4'-P energy: -93.798 bonds (distance) P-C4' energy: -96.463 flat angles C4'-P-C4' energy: -111.393 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -131.610 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: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1615.691843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.691843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.691843 (E_RNA) where: Base-Base interactions energy: -1124.984 where: short stacking energy: -457.742 Base-Backbone interact. energy: -1.098 local terms energy: -489.610683 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -99.827 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -68.830 tors. eta vs tors. theta energy: -132.230 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: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1555.343823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.343823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.343823 (E_RNA) where: Base-Base interactions energy: -1082.782 where: short stacking energy: -444.049 Base-Backbone interact. energy: 0.342 local terms energy: -472.903963 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -92.018 flat angles C4'-P-C4' energy: -96.698 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -117.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1424.629062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.629062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.629062 (E_RNA) where: Base-Base interactions energy: -988.044 where: short stacking energy: -399.443 Base-Backbone interact. energy: -3.031 local terms energy: -433.554828 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -92.978 flat angles C4'-P-C4' energy: -88.613 flat angles P-C4'-P energy: -66.181 tors. eta vs tors. theta energy: -94.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1382.306271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.306271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.306271 (E_RNA) where: Base-Base interactions energy: -923.546 where: short stacking energy: -405.951 Base-Backbone interact. energy: -0.154 local terms energy: -458.605755 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -100.388 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -121.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1263.101278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.101278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.101278 (E_RNA) where: Base-Base interactions energy: -859.172 where: short stacking energy: -384.988 Base-Backbone interact. energy: -0.487 local terms energy: -403.441921 where: bonds (distance) C4'-P energy: -77.804 bonds (distance) P-C4' energy: -94.779 flat angles C4'-P-C4' energy: -83.081 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -89.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1050.803135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.803135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.803135 (E_RNA) where: Base-Base interactions energy: -679.488 where: short stacking energy: -296.965 Base-Backbone interact. energy: -1.583 local terms energy: -369.731455 where: bonds (distance) C4'-P energy: -84.697 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -81.247 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -71.842 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: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -847.992560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.992560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.992560 (E_RNA) where: Base-Base interactions energy: -532.713 where: short stacking energy: -243.620 Base-Backbone interact. energy: -0.008 local terms energy: -315.271334 where: bonds (distance) C4'-P energy: -67.202 bonds (distance) P-C4' energy: -76.459 flat angles C4'-P-C4' energy: -69.863 flat angles P-C4'-P energy: -64.602 tors. eta vs tors. theta energy: -37.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -471.437737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.437737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.437737 (E_RNA) where: Base-Base interactions energy: -224.707 where: short stacking energy: -135.624 Base-Backbone interact. energy: 3.734 local terms energy: -250.464277 where: bonds (distance) C4'-P energy: -81.008 bonds (distance) P-C4' energy: -87.732 flat angles C4'-P-C4' energy: -68.203 flat angles P-C4'-P energy: -36.971 tors. eta vs tors. theta energy: 23.449 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1788.051520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.051520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.051520 (E_RNA) where: Base-Base interactions energy: -1237.222 where: short stacking energy: -552.021 Base-Backbone interact. energy: -2.570 local terms energy: -548.259481 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -99.824 flat angles C4'-P-C4' energy: -112.231 flat angles P-C4'-P energy: -79.953 tors. eta vs tors. theta energy: -174.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1671.274513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.274513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.274513 (E_RNA) where: Base-Base interactions energy: -1182.888 where: short stacking energy: -477.880 Base-Backbone interact. energy: -5.672 local terms energy: -482.714590 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -95.995 flat angles C4'-P-C4' energy: -111.658 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -122.872 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: 203 Temperature: 1.000000 Total energy: -1631.576588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.576588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.576588 (E_RNA) where: Base-Base interactions energy: -1132.880 where: short stacking energy: -471.047 Base-Backbone interact. energy: 5.101 local terms energy: -503.797607 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -95.564 flat angles C4'-P-C4' energy: -107.832 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -136.641 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1546.853695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.853695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.853695 (E_RNA) where: Base-Base interactions energy: -1073.872 where: short stacking energy: -440.675 Base-Backbone interact. energy: -1.691 local terms energy: -471.289866 where: bonds (distance) C4'-P energy: -102.529 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -120.115 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: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1494.443858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.443858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.443858 (E_RNA) where: Base-Base interactions energy: -1054.878 where: short stacking energy: -407.018 Base-Backbone interact. energy: -0.512 local terms energy: -439.054254 where: bonds (distance) C4'-P energy: -84.273 bonds (distance) P-C4' energy: -81.668 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -100.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1374.208221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.208221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.208221 (E_RNA) where: Base-Base interactions energy: -945.047 where: short stacking energy: -404.014 Base-Backbone interact. energy: 0.402 local terms energy: -429.563615 where: bonds (distance) C4'-P energy: -80.168 bonds (distance) P-C4' energy: -91.971 flat angles C4'-P-C4' energy: -95.124 flat angles P-C4'-P energy: -55.108 tors. eta vs tors. theta energy: -107.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1244.048663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.048663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.048663 (E_RNA) where: Base-Base interactions energy: -820.800 where: short stacking energy: -374.865 Base-Backbone interact. energy: -0.020 local terms energy: -423.228568 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -90.878 flat angles C4'-P-C4' energy: -89.240 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -97.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1015.880357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.880357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.880357 (E_RNA) where: Base-Base interactions energy: -649.736 where: short stacking energy: -286.123 Base-Backbone interact. energy: 0.468 local terms energy: -366.612366 where: bonds (distance) C4'-P energy: -67.701 bonds (distance) P-C4' energy: -105.768 flat angles C4'-P-C4' energy: -88.814 flat angles P-C4'-P energy: -51.873 tors. eta vs tors. theta energy: -52.458 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: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -857.608137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.608137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.608137 (E_RNA) where: Base-Base interactions energy: -551.792 where: short stacking energy: -233.096 Base-Backbone interact. energy: 1.635 local terms energy: -307.451539 where: bonds (distance) C4'-P energy: -82.158 bonds (distance) P-C4' energy: -80.892 flat angles C4'-P-C4' energy: -77.065 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -24.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -484.913048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.913048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.913048 (E_RNA) where: Base-Base interactions energy: -222.137 where: short stacking energy: -132.714 Base-Backbone interact. energy: 3.259 local terms energy: -266.034355 where: bonds (distance) C4'-P energy: -72.832 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -61.824 flat angles P-C4'-P energy: -53.441 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1785.238488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.238488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.238488 (E_RNA) where: Base-Base interactions energy: -1231.969 where: short stacking energy: -543.688 Base-Backbone interact. energy: -1.800 local terms energy: -551.469249 where: bonds (distance) C4'-P energy: -98.928 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -112.394 flat angles P-C4'-P energy: -76.718 tors. eta vs tors. theta energy: -164.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1703.508200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.508200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.508200 (E_RNA) where: Base-Base interactions energy: -1178.168 where: short stacking energy: -480.299 Base-Backbone interact. energy: -3.244 local terms energy: -522.095968 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -102.405 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -83.107 tors. eta vs tors. theta energy: -136.429 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1618.736868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.736868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.736868 (E_RNA) where: Base-Base interactions energy: -1120.585 where: short stacking energy: -457.878 Base-Backbone interact. energy: -1.748 local terms energy: -496.403797 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -110.465 flat angles P-C4'-P energy: -71.549 tors. eta vs tors. theta energy: -133.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1514.399561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.399561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.399561 (E_RNA) where: Base-Base interactions energy: -1068.632 where: short stacking energy: -430.937 Base-Backbone interact. energy: -1.569 local terms energy: -444.199050 where: bonds (distance) C4'-P energy: -82.753 bonds (distance) P-C4' energy: -88.585 flat angles C4'-P-C4' energy: -100.526 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: -102.898 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: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1451.910974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.910974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.910974 (E_RNA) where: Base-Base interactions energy: -1007.833 where: short stacking energy: -393.756 Base-Backbone interact. energy: -2.067 local terms energy: -442.011085 where: bonds (distance) C4'-P energy: -93.470 bonds (distance) P-C4' energy: -99.403 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: -84.925 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: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1346.263597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.263597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.263597 (E_RNA) where: Base-Base interactions energy: -901.582 where: short stacking energy: -387.215 Base-Backbone interact. energy: -2.889 local terms energy: -441.793354 where: bonds (distance) C4'-P energy: -86.175 bonds (distance) P-C4' energy: -91.143 flat angles C4'-P-C4' energy: -104.014 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -99.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1233.205281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.205281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.205281 (E_RNA) where: Base-Base interactions energy: -820.695 where: short stacking energy: -361.653 Base-Backbone interact. energy: -1.476 local terms energy: -411.033833 where: bonds (distance) C4'-P energy: -76.050 bonds (distance) P-C4' energy: -86.785 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -92.577 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: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1054.978543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.978543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.978543 (E_RNA) where: Base-Base interactions energy: -710.593 where: short stacking energy: -305.135 Base-Backbone interact. energy: 1.132 local terms energy: -345.517708 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -86.840 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -60.259 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -863.673272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.673272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.673272 (E_RNA) where: Base-Base interactions energy: -537.174 where: short stacking energy: -270.461 Base-Backbone interact. energy: -1.414 local terms energy: -325.085264 where: bonds (distance) C4'-P energy: -73.502 bonds (distance) P-C4' energy: -91.656 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -36.502 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: 10, replica: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -509.367739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.367739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.367739 (E_RNA) where: Base-Base interactions energy: -230.374 where: short stacking energy: -140.313 Base-Backbone interact. energy: 1.094 local terms energy: -280.087194 where: bonds (distance) C4'-P energy: -82.651 bonds (distance) P-C4' energy: -83.311 flat angles C4'-P-C4' energy: -73.276 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: 11.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1784.515257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.515257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.515257 (E_RNA) where: Base-Base interactions energy: -1248.935 where: short stacking energy: -534.447 Base-Backbone interact. energy: -1.654 local terms energy: -533.925611 where: bonds (distance) C4'-P energy: -87.847 bonds (distance) P-C4' energy: -94.304 flat angles C4'-P-C4' energy: -113.539 flat angles P-C4'-P energy: -78.694 tors. eta vs tors. theta energy: -159.542 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: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1663.611133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.611133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.611133 (E_RNA) where: Base-Base interactions energy: -1170.085 where: short stacking energy: -467.410 Base-Backbone interact. energy: -4.134 local terms energy: -489.392281 where: bonds (distance) C4'-P energy: -96.615 bonds (distance) P-C4' energy: -96.620 flat angles C4'-P-C4' energy: -112.598 flat angles P-C4'-P energy: -64.534 tors. eta vs tors. theta energy: -119.025 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: 205 Temperature: 1.000000 Total energy: -1611.370411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.370411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.370411 (E_RNA) where: Base-Base interactions energy: -1145.702 where: short stacking energy: -452.858 Base-Backbone interact. energy: -1.639 local terms energy: -464.029317 where: bonds (distance) C4'-P energy: -92.946 bonds (distance) P-C4' energy: -76.278 flat angles C4'-P-C4' energy: -93.302 flat angles P-C4'-P energy: -73.966 tors. eta vs tors. theta energy: -127.538 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: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1483.985850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.985850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.985850 (E_RNA) where: Base-Base interactions energy: -1042.110 where: short stacking energy: -399.582 Base-Backbone interact. energy: -3.606 local terms energy: -438.270052 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -98.197 flat angles C4'-P-C4' energy: -99.861 flat angles P-C4'-P energy: -70.900 tors. eta vs tors. theta energy: -92.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1449.998085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.998085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.998085 (E_RNA) where: Base-Base interactions energy: -1003.325 where: short stacking energy: -400.662 Base-Backbone interact. energy: 0.138 local terms energy: -446.811055 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -96.008 flat angles C4'-P-C4' energy: -105.482 flat angles P-C4'-P energy: -53.589 tors. eta vs tors. theta energy: -104.231 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: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1337.175920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.175920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.175920 (E_RNA) where: Base-Base interactions energy: -897.361 where: short stacking energy: -385.348 Base-Backbone interact. energy: 1.550 local terms energy: -441.364595 where: bonds (distance) C4'-P energy: -89.081 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -105.867 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -87.654 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: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1323.044166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.044166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.044166 (E_RNA) where: Base-Base interactions energy: -889.624 where: short stacking energy: -405.610 Base-Backbone interact. energy: -0.804 local terms energy: -432.615815 where: bonds (distance) C4'-P energy: -86.179 bonds (distance) P-C4' energy: -77.458 flat angles C4'-P-C4' energy: -94.612 flat angles P-C4'-P energy: -71.668 tors. eta vs tors. theta energy: -102.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1045.327394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.327394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.327394 (E_RNA) where: Base-Base interactions energy: -699.269 where: short stacking energy: -293.011 Base-Backbone interact. energy: 0.081 local terms energy: -346.139504 where: bonds (distance) C4'-P energy: -75.530 bonds (distance) P-C4' energy: -83.001 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -42.761 tors. eta vs tors. theta energy: -55.453 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -907.185704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.185704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.185704 (E_RNA) where: Base-Base interactions energy: -546.618 where: short stacking energy: -261.010 Base-Backbone interact. energy: -1.968 local terms energy: -358.600592 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -96.688 flat angles C4'-P-C4' energy: -83.631 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -51.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -509.158535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.158535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.158535 (E_RNA) where: Base-Base interactions energy: -246.841 where: short stacking energy: -162.653 Base-Backbone interact. energy: -0.260 local terms energy: -262.058042 where: bonds (distance) C4'-P energy: -72.786 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -71.161 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1782.340854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.340854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.340854 (E_RNA) where: Base-Base interactions energy: -1240.134 where: short stacking energy: -538.133 Base-Backbone interact. energy: -1.422 local terms energy: -540.784934 where: bonds (distance) C4'-P energy: -97.121 bonds (distance) P-C4' energy: -90.284 flat angles C4'-P-C4' energy: -110.873 flat angles P-C4'-P energy: -85.537 tors. eta vs tors. theta energy: -156.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1647.325910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.325910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.325910 (E_RNA) where: Base-Base interactions energy: -1145.494 where: short stacking energy: -466.181 Base-Backbone interact. energy: -4.846 local terms energy: -496.985839 where: bonds (distance) C4'-P energy: -88.273 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -113.455 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -125.725 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: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1628.175698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.175698 (E_RNA) where: Base-Base interactions energy: -1121.370 where: short stacking energy: -458.247 Base-Backbone interact. energy: -0.924 local terms energy: -505.880950 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -99.781 flat angles C4'-P-C4' energy: -111.711 flat angles P-C4'-P energy: -71.733 tors. eta vs tors. theta energy: -128.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1555.434242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.434242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.434242 (E_RNA) where: Base-Base interactions energy: -1103.830 where: short stacking energy: -450.403 Base-Backbone interact. energy: 4.257 local terms energy: -455.861039 where: bonds (distance) C4'-P energy: -88.697 bonds (distance) P-C4' energy: -97.071 flat angles C4'-P-C4' energy: -88.478 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -108.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1447.446293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.446293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.446293 (E_RNA) where: Base-Base interactions energy: -1014.395 where: short stacking energy: -396.924 Base-Backbone interact. energy: -1.223 local terms energy: -431.828502 where: bonds (distance) C4'-P energy: -86.108 bonds (distance) P-C4' energy: -91.962 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -98.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1319.930061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.930061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.930061 (E_RNA) where: Base-Base interactions energy: -890.829 where: short stacking energy: -366.446 Base-Backbone interact. energy: -0.793 local terms energy: -428.308196 where: bonds (distance) C4'-P energy: -88.889 bonds (distance) P-C4' energy: -94.067 flat angles C4'-P-C4' energy: -93.749 flat angles P-C4'-P energy: -55.604 tors. eta vs tors. theta energy: -95.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1279.771654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.771654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.771654 (E_RNA) where: Base-Base interactions energy: -855.353 where: short stacking energy: -375.363 Base-Backbone interact. energy: -2.034 local terms energy: -422.384715 where: bonds (distance) C4'-P energy: -93.490 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -97.223 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -94.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1108.166905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.166905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.166905 (E_RNA) where: Base-Base interactions energy: -722.298 where: short stacking energy: -321.685 Base-Backbone interact. energy: 2.568 local terms energy: -388.436271 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -96.430 flat angles C4'-P-C4' energy: -93.721 flat angles P-C4'-P energy: -53.486 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -853.494623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.494623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.494623 (E_RNA) where: Base-Base interactions energy: -525.733 where: short stacking energy: -235.449 Base-Backbone interact. energy: 0.192 local terms energy: -327.953267 where: bonds (distance) C4'-P energy: -72.813 bonds (distance) P-C4' energy: -86.891 flat angles C4'-P-C4' energy: -80.102 flat angles P-C4'-P energy: -55.162 tors. eta vs tors. theta energy: -32.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -507.565245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.565245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.565245 (E_RNA) where: Base-Base interactions energy: -223.116 where: short stacking energy: -139.728 Base-Backbone interact. energy: 0.642 local terms energy: -285.091386 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -75.805 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: 6.280 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: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1774.569345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.569345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.569345 (E_RNA) where: Base-Base interactions energy: -1213.981 where: short stacking energy: -536.793 Base-Backbone interact. energy: -0.194 local terms energy: -560.394454 where: bonds (distance) C4'-P energy: -97.492 bonds (distance) P-C4' energy: -106.656 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -84.461 tors. eta vs tors. theta energy: -153.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1673.232335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.232335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.232335 (E_RNA) where: Base-Base interactions energy: -1168.678 where: short stacking energy: -486.884 Base-Backbone interact. energy: -3.769 local terms energy: -500.785482 where: bonds (distance) C4'-P energy: -95.657 bonds (distance) P-C4' energy: -91.459 flat angles C4'-P-C4' energy: -110.999 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -133.541 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: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1662.279120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.279120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.279120 (E_RNA) where: Base-Base interactions energy: -1167.163 where: short stacking energy: -468.667 Base-Backbone interact. energy: 2.166 local terms energy: -497.281653 where: bonds (distance) C4'-P energy: -96.492 bonds (distance) P-C4' energy: -96.693 flat angles C4'-P-C4' energy: -102.689 flat angles P-C4'-P energy: -70.796 tors. eta vs tors. theta energy: -130.612 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: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1521.540634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.540634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.540634 (E_RNA) where: Base-Base interactions energy: -1088.622 where: short stacking energy: -427.314 Base-Backbone interact. energy: 4.933 local terms energy: -437.851574 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -98.477 flat angles P-C4'-P energy: -55.582 tors. eta vs tors. theta energy: -106.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1517.093920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.093920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.093920 (E_RNA) where: Base-Base interactions energy: -1083.148 where: short stacking energy: -420.520 Base-Backbone interact. energy: -2.156 local terms energy: -431.789181 where: bonds (distance) C4'-P energy: -83.644 bonds (distance) P-C4' energy: -81.640 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -67.078 tors. eta vs tors. theta energy: -100.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1309.665563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.665563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.665563 (E_RNA) where: Base-Base interactions energy: -884.972 where: short stacking energy: -376.513 Base-Backbone interact. energy: -4.184 local terms energy: -420.510242 where: bonds (distance) C4'-P energy: -87.093 bonds (distance) P-C4' energy: -82.831 flat angles C4'-P-C4' energy: -96.663 flat angles P-C4'-P energy: -66.533 tors. eta vs tors. theta energy: -87.390 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: 207 Temperature: 1.200000 Total energy: -1244.352056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.352056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.352056 (E_RNA) where: Base-Base interactions energy: -839.207 where: short stacking energy: -362.505 Base-Backbone interact. energy: -1.933 local terms energy: -403.212047 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -85.125 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -47.720 tors. eta vs tors. theta energy: -86.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1091.547114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.547114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.547114 (E_RNA) where: Base-Base interactions energy: -735.516 where: short stacking energy: -322.227 Base-Backbone interact. energy: -2.401 local terms energy: -353.630621 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -93.957 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -67.698 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -865.310472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.310472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.310472 (E_RNA) where: Base-Base interactions energy: -520.156 where: short stacking energy: -233.137 Base-Backbone interact. energy: 0.478 local terms energy: -345.631812 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -33.287 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: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -610.651040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.651040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.651040 (E_RNA) where: Base-Base interactions energy: -324.501 where: short stacking energy: -184.476 Base-Backbone interact. energy: -0.245 local terms energy: -285.904991 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -92.585 flat angles C4'-P-C4' energy: -71.456 flat angles P-C4'-P energy: -45.550 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1782.561036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.561036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.561036 (E_RNA) where: Base-Base interactions energy: -1241.676 where: short stacking energy: -541.966 Base-Backbone interact. energy: 0.124 local terms energy: -541.008830 where: bonds (distance) C4'-P energy: -95.083 bonds (distance) P-C4' energy: -105.369 flat angles C4'-P-C4' energy: -110.732 flat angles P-C4'-P energy: -76.002 tors. eta vs tors. theta energy: -153.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1650.609028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.609028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.609028 (E_RNA) where: Base-Base interactions energy: -1177.958 where: short stacking energy: -457.637 Base-Backbone interact. energy: -3.247 local terms energy: -469.404609 where: bonds (distance) C4'-P energy: -90.551 bonds (distance) P-C4' energy: -91.174 flat angles C4'-P-C4' energy: -99.555 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -125.096 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: 208 Temperature: 1.000000 Total energy: -1640.626879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.626879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.626879 (E_RNA) where: Base-Base interactions energy: -1154.123 where: short stacking energy: -464.495 Base-Backbone interact. energy: -3.932 local terms energy: -482.571679 where: bonds (distance) C4'-P energy: -90.864 bonds (distance) P-C4' energy: -86.243 flat angles C4'-P-C4' energy: -107.430 flat angles P-C4'-P energy: -67.862 tors. eta vs tors. theta energy: -130.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1535.045954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.045954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.045954 (E_RNA) where: Base-Base interactions energy: -1070.856 where: short stacking energy: -437.968 Base-Backbone interact. energy: -0.462 local terms energy: -463.727412 where: bonds (distance) C4'-P energy: -87.774 bonds (distance) P-C4' energy: -105.199 flat angles C4'-P-C4' energy: -96.142 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: -103.728 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: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1496.393028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.393028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.393028 (E_RNA) where: Base-Base interactions energy: -1065.677 where: short stacking energy: -432.664 Base-Backbone interact. energy: 1.572 local terms energy: -432.287878 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -84.545 flat angles C4'-P-C4' energy: -94.257 flat angles P-C4'-P energy: -55.616 tors. eta vs tors. theta energy: -110.463 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: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1322.883702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.883702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.883702 (E_RNA) where: Base-Base interactions energy: -890.519 where: short stacking energy: -385.139 Base-Backbone interact. energy: -2.599 local terms energy: -429.765844 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -96.638 flat angles C4'-P-C4' energy: -98.135 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -95.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1200.254573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.254573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.254573 (E_RNA) where: Base-Base interactions energy: -772.111 where: short stacking energy: -354.880 Base-Backbone interact. energy: -1.192 local terms energy: -426.951732 where: bonds (distance) C4'-P energy: -75.620 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -103.644 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -97.608 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: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1101.816461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.816461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.816461 (E_RNA) where: Base-Base interactions energy: -712.447 where: short stacking energy: -315.465 Base-Backbone interact. energy: -2.513 local terms energy: -386.856049 where: bonds (distance) C4'-P energy: -88.025 bonds (distance) P-C4' energy: -74.118 flat angles C4'-P-C4' energy: -97.252 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -61.327 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -858.800476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.800476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.800476 (E_RNA) where: Base-Base interactions energy: -541.722 where: short stacking energy: -264.283 Base-Backbone interact. energy: 4.584 local terms energy: -321.661967 where: bonds (distance) C4'-P energy: -83.613 bonds (distance) P-C4' energy: -71.815 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -48.987 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: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -591.349516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.349516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.349516 (E_RNA) where: Base-Base interactions energy: -297.143 where: short stacking energy: -159.872 Base-Backbone interact. energy: 3.009 local terms energy: -297.215791 where: bonds (distance) C4'-P energy: -94.097 bonds (distance) P-C4' energy: -88.363 flat angles C4'-P-C4' energy: -80.162 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1787.876299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.876299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.876299 (E_RNA) where: Base-Base interactions energy: -1219.127 where: short stacking energy: -548.412 Base-Backbone interact. energy: -2.434 local terms energy: -566.314533 where: bonds (distance) C4'-P energy: -108.679 bonds (distance) P-C4' energy: -97.300 flat angles C4'-P-C4' energy: -115.684 flat angles P-C4'-P energy: -80.012 tors. eta vs tors. theta energy: -164.640 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: 209 Temperature: 0.950000 Total energy: -1652.218149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.218149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.218149 (E_RNA) where: Base-Base interactions energy: -1158.693 where: short stacking energy: -456.391 Base-Backbone interact. energy: -1.402 local terms energy: -492.122705 where: bonds (distance) C4'-P energy: -88.992 bonds (distance) P-C4' energy: -92.543 flat angles C4'-P-C4' energy: -114.091 flat angles P-C4'-P energy: -67.745 tors. eta vs tors. theta energy: -128.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1617.518397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.518397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.518397 (E_RNA) where: Base-Base interactions energy: -1129.139 where: short stacking energy: -440.874 Base-Backbone interact. energy: -3.397 local terms energy: -484.982437 where: bonds (distance) C4'-P energy: -98.683 bonds (distance) P-C4' energy: -101.524 flat angles C4'-P-C4' energy: -113.623 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -110.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1551.369423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.369423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.369423 (E_RNA) where: Base-Base interactions energy: -1091.667 where: short stacking energy: -436.733 Base-Backbone interact. energy: -3.012 local terms energy: -456.690498 where: bonds (distance) C4'-P energy: -69.978 bonds (distance) P-C4' energy: -96.123 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -74.960 tors. eta vs tors. theta energy: -106.509 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: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1507.743884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.743884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.743884 (E_RNA) where: Base-Base interactions energy: -1057.456 where: short stacking energy: -426.755 Base-Backbone interact. energy: -1.686 local terms energy: -448.601822 where: bonds (distance) C4'-P energy: -89.973 bonds (distance) P-C4' energy: -95.504 flat angles C4'-P-C4' energy: -106.793 flat angles P-C4'-P energy: -48.749 tors. eta vs tors. theta energy: -107.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1313.612975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.612975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.612975 (E_RNA) where: Base-Base interactions energy: -897.704 where: short stacking energy: -394.014 Base-Backbone interact. energy: 1.071 local terms energy: -416.979818 where: bonds (distance) C4'-P energy: -75.117 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -98.501 flat angles P-C4'-P energy: -65.760 tors. eta vs tors. theta energy: -96.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1184.100857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.100857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.100857 (E_RNA) where: Base-Base interactions energy: -775.030 where: short stacking energy: -356.214 Base-Backbone interact. energy: -2.119 local terms energy: -406.951513 where: bonds (distance) C4'-P energy: -68.255 bonds (distance) P-C4' energy: -89.921 flat angles C4'-P-C4' energy: -87.672 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -92.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1020.914386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.914386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.914386 (E_RNA) where: Base-Base interactions energy: -688.423 where: short stacking energy: -305.948 Base-Backbone interact. energy: -2.056 local terms energy: -330.435453 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -81.187 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -53.541 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -904.320235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.320235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.320235 (E_RNA) where: Base-Base interactions energy: -554.003 where: short stacking energy: -275.256 Base-Backbone interact. energy: 2.655 local terms energy: -352.972434 where: bonds (distance) C4'-P energy: -86.118 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -79.966 flat angles P-C4'-P energy: -56.965 tors. eta vs tors. theta energy: -50.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -608.813437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.813437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.813437 (E_RNA) where: Base-Base interactions energy: -322.430 where: short stacking energy: -174.105 Base-Backbone interact. energy: -1.979 local terms energy: -284.404214 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -88.972 flat angles C4'-P-C4' energy: -65.824 flat angles P-C4'-P energy: -38.619 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1791.442213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.442213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.442213 (E_RNA) where: Base-Base interactions energy: -1232.709 where: short stacking energy: -536.600 Base-Backbone interact. energy: -4.717 local terms energy: -554.017000 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -108.552 flat angles P-C4'-P energy: -75.782 tors. eta vs tors. theta energy: -166.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1683.592360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.592360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.592360 (E_RNA) where: Base-Base interactions energy: -1154.106 where: short stacking energy: -476.704 Base-Backbone interact. energy: -2.991 local terms energy: -526.495753 where: bonds (distance) C4'-P energy: -106.602 bonds (distance) P-C4' energy: -99.725 flat angles C4'-P-C4' energy: -119.659 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: -125.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1601.164493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.164493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.164493 (E_RNA) where: Base-Base interactions energy: -1135.606 where: short stacking energy: -454.321 Base-Backbone interact. energy: -2.943 local terms energy: -462.616236 where: bonds (distance) C4'-P energy: -86.511 bonds (distance) P-C4' energy: -82.619 flat angles C4'-P-C4' energy: -101.363 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -130.522 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: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1544.576792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.576792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.576792 (E_RNA) where: Base-Base interactions energy: -1079.200 where: short stacking energy: -448.779 Base-Backbone interact. energy: -3.450 local terms energy: -461.927540 where: bonds (distance) C4'-P energy: -90.062 bonds (distance) P-C4' energy: -92.672 flat angles C4'-P-C4' energy: -92.604 flat angles P-C4'-P energy: -67.381 tors. eta vs tors. theta energy: -119.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1463.155831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.155831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.155831 (E_RNA) where: Base-Base interactions energy: -1039.072 where: short stacking energy: -424.192 Base-Backbone interact. energy: -0.382 local terms energy: -423.701293 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -105.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1340.845693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.845693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.845693 (E_RNA) where: Base-Base interactions energy: -897.311 where: short stacking energy: -394.823 Base-Backbone interact. energy: -3.575 local terms energy: -439.959930 where: bonds (distance) C4'-P energy: -86.964 bonds (distance) P-C4' energy: -90.271 flat angles C4'-P-C4' energy: -90.305 flat angles P-C4'-P energy: -69.639 tors. eta vs tors. theta energy: -102.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1251.563999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.563999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.563999 (E_RNA) where: Base-Base interactions energy: -836.526 where: short stacking energy: -364.360 Base-Backbone interact. energy: 1.443 local terms energy: -416.481056 where: bonds (distance) C4'-P energy: -79.807 bonds (distance) P-C4' energy: -85.258 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: -96.516 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: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1058.122972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.122972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.122972 (E_RNA) where: Base-Base interactions energy: -709.482 where: short stacking energy: -302.784 Base-Backbone interact. energy: -0.890 local terms energy: -347.750842 where: bonds (distance) C4'-P energy: -59.230 bonds (distance) P-C4' energy: -72.194 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -67.837 tors. eta vs tors. theta energy: -64.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -856.481202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.481202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.481202 (E_RNA) where: Base-Base interactions energy: -506.706 where: short stacking energy: -227.309 Base-Backbone interact. energy: -0.066 local terms energy: -349.709662 where: bonds (distance) C4'-P energy: -96.254 bonds (distance) P-C4' energy: -89.664 flat angles C4'-P-C4' energy: -73.001 flat angles P-C4'-P energy: -42.314 tors. eta vs tors. theta energy: -48.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -626.392880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.392880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.392880 (E_RNA) where: Base-Base interactions energy: -355.276 where: short stacking energy: -178.370 Base-Backbone interact. energy: -1.191 local terms energy: -269.926109 where: bonds (distance) C4'-P energy: -72.874 bonds (distance) P-C4' energy: -76.001 flat angles C4'-P-C4' energy: -55.539 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -15.186 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: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1756.285109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.285109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.285109 (E_RNA) where: Base-Base interactions energy: -1203.421 where: short stacking energy: -537.260 Base-Backbone interact. energy: -3.906 local terms energy: -548.957443 where: bonds (distance) C4'-P energy: -105.722 bonds (distance) P-C4' energy: -94.209 flat angles C4'-P-C4' energy: -114.445 flat angles P-C4'-P energy: -77.844 tors. eta vs tors. theta energy: -156.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1724.848771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.848771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.848771 (E_RNA) where: Base-Base interactions energy: -1212.372 where: short stacking energy: -468.834 Base-Backbone interact. energy: -4.071 local terms energy: -508.405690 where: bonds (distance) C4'-P energy: -97.129 bonds (distance) P-C4' energy: -92.645 flat angles C4'-P-C4' energy: -102.108 flat angles P-C4'-P energy: -83.211 tors. eta vs tors. theta energy: -133.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1636.800655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.800655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.800655 (E_RNA) where: Base-Base interactions energy: -1153.036 where: short stacking energy: -462.965 Base-Backbone interact. energy: -2.203 local terms energy: -481.561229 where: bonds (distance) C4'-P energy: -88.309 bonds (distance) P-C4' energy: -95.384 flat angles C4'-P-C4' energy: -102.335 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: -128.102 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: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1512.236178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.236178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.236178 (E_RNA) where: Base-Base interactions energy: -1062.257 where: short stacking energy: -459.548 Base-Backbone interact. energy: 6.061 local terms energy: -456.039704 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -90.192 flat angles C4'-P-C4' energy: -97.633 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -117.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1467.346118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.346118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.346118 (E_RNA) where: Base-Base interactions energy: -1033.303 where: short stacking energy: -411.328 Base-Backbone interact. energy: -3.348 local terms energy: -430.695514 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -94.615 flat angles C4'-P-C4' energy: -95.887 flat angles P-C4'-P energy: -59.769 tors. eta vs tors. theta energy: -97.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1376.850179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.850179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.850179 (E_RNA) where: Base-Base interactions energy: -928.827 where: short stacking energy: -397.955 Base-Backbone interact. energy: 2.934 local terms energy: -450.957547 where: bonds (distance) C4'-P energy: -76.095 bonds (distance) P-C4' energy: -83.617 flat angles C4'-P-C4' energy: -107.747 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -110.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1239.041369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.041369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.041369 (E_RNA) where: Base-Base interactions energy: -811.048 where: short stacking energy: -347.754 Base-Backbone interact. energy: -0.306 local terms energy: -427.687966 where: bonds (distance) C4'-P energy: -93.841 bonds (distance) P-C4' energy: -85.283 flat angles C4'-P-C4' energy: -94.898 flat angles P-C4'-P energy: -70.680 tors. eta vs tors. theta energy: -82.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1077.808635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.808635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.808635 (E_RNA) where: Base-Base interactions energy: -717.045 where: short stacking energy: -318.782 Base-Backbone interact. energy: 2.454 local terms energy: -363.217872 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -77.228 flat angles P-C4'-P energy: -64.817 tors. eta vs tors. theta energy: -59.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -858.784625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.784625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.784625 (E_RNA) where: Base-Base interactions energy: -506.308 where: short stacking energy: -268.403 Base-Backbone interact. energy: -1.637 local terms energy: -350.840022 where: bonds (distance) C4'-P energy: -89.615 bonds (distance) P-C4' energy: -94.166 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -46.054 tors. eta vs tors. theta energy: -40.482 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: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -618.265241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.265241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.265241 (E_RNA) where: Base-Base interactions energy: -341.800 where: short stacking energy: -186.271 Base-Backbone interact. energy: -0.294 local terms energy: -276.171380 where: bonds (distance) C4'-P energy: -63.329 bonds (distance) P-C4' energy: -86.634 flat angles C4'-P-C4' energy: -62.694 flat angles P-C4'-P energy: -45.434 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1768.575549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.575549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.575549 (E_RNA) where: Base-Base interactions energy: -1209.414 where: short stacking energy: -522.453 Base-Backbone interact. energy: -4.110 local terms energy: -555.051842 where: bonds (distance) C4'-P energy: -99.517 bonds (distance) P-C4' energy: -110.220 flat angles C4'-P-C4' energy: -116.204 flat angles P-C4'-P energy: -78.875 tors. eta vs tors. theta energy: -150.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1676.446803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.446803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.446803 (E_RNA) where: Base-Base interactions energy: -1176.276 where: short stacking energy: -490.246 Base-Backbone interact. energy: -2.827 local terms energy: -497.343252 where: bonds (distance) C4'-P energy: -92.767 bonds (distance) P-C4' energy: -88.353 flat angles C4'-P-C4' energy: -110.299 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -137.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1622.389311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.389311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.389311 (E_RNA) where: Base-Base interactions energy: -1113.944 where: short stacking energy: -467.889 Base-Backbone interact. energy: -0.576 local terms energy: -507.868955 where: bonds (distance) C4'-P energy: -85.248 bonds (distance) P-C4' energy: -103.925 flat angles C4'-P-C4' energy: -104.827 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: -135.973 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: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1556.089366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.089366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.089366 (E_RNA) where: Base-Base interactions energy: -1093.276 where: short stacking energy: -461.556 Base-Backbone interact. energy: 1.213 local terms energy: -464.027087 where: bonds (distance) C4'-P energy: -90.390 bonds (distance) P-C4' energy: -98.326 flat angles C4'-P-C4' energy: -101.215 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -110.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1476.462868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.462868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.462868 (E_RNA) where: Base-Base interactions energy: -1049.118 where: short stacking energy: -417.677 Base-Backbone interact. energy: 7.599 local terms energy: -434.944369 where: bonds (distance) C4'-P energy: -78.454 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -94.127 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -101.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1331.760104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.760104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.760104 (E_RNA) where: Base-Base interactions energy: -920.863 where: short stacking energy: -397.158 Base-Backbone interact. energy: -2.426 local terms energy: -408.471127 where: bonds (distance) C4'-P energy: -87.692 bonds (distance) P-C4' energy: -71.197 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: -105.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1207.323874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.323874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.323874 (E_RNA) where: Base-Base interactions energy: -805.957 where: short stacking energy: -370.759 Base-Backbone interact. energy: -0.925 local terms energy: -400.442016 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -90.207 flat angles P-C4'-P energy: -52.121 tors. eta vs tors. theta energy: -73.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1067.454526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.454526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.454526 (E_RNA) where: Base-Base interactions energy: -705.428 where: short stacking energy: -292.537 Base-Backbone interact. energy: -0.264 local terms energy: -361.762451 where: bonds (distance) C4'-P energy: -81.235 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -80.930 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: -54.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -832.036222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.036222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.036222 (E_RNA) where: Base-Base interactions energy: -495.204 where: short stacking energy: -231.448 Base-Backbone interact. energy: 2.189 local terms energy: -339.020823 where: bonds (distance) C4'-P energy: -90.954 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -34.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -633.763243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.763243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.763243 (E_RNA) where: Base-Base interactions energy: -374.939 where: short stacking energy: -197.179 Base-Backbone interact. energy: 1.573 local terms energy: -260.398173 where: bonds (distance) C4'-P energy: -67.824 bonds (distance) P-C4' energy: -90.043 flat angles C4'-P-C4' energy: -59.125 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: -7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1791.154824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.154824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.154824 (E_RNA) where: Base-Base interactions energy: -1243.469 where: short stacking energy: -546.403 Base-Backbone interact. energy: -3.007 local terms energy: -544.679167 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -103.713 flat angles C4'-P-C4' energy: -113.209 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -161.862 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: 213 Temperature: 0.950000 Total energy: -1676.066662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.066662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.066662 (E_RNA) where: Base-Base interactions energy: -1174.008 where: short stacking energy: -495.815 Base-Backbone interact. energy: -2.653 local terms energy: -499.405922 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -90.821 flat angles C4'-P-C4' energy: -105.557 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -130.802 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: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1627.553305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.553305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.553305 (E_RNA) where: Base-Base interactions energy: -1137.942 where: short stacking energy: -446.891 Base-Backbone interact. energy: -1.131 local terms energy: -488.480410 where: bonds (distance) C4'-P energy: -91.589 bonds (distance) P-C4' energy: -99.975 flat angles C4'-P-C4' energy: -108.120 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -128.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1531.619093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.619093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.619093 (E_RNA) where: Base-Base interactions energy: -1080.416 where: short stacking energy: -454.668 Base-Backbone interact. energy: 0.590 local terms energy: -451.793744 where: bonds (distance) C4'-P energy: -87.238 bonds (distance) P-C4' energy: -84.597 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -117.642 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: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1457.856893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.856893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.856893 (E_RNA) where: Base-Base interactions energy: -1021.956 where: short stacking energy: -402.676 Base-Backbone interact. energy: 4.630 local terms energy: -440.531268 where: bonds (distance) C4'-P energy: -94.899 bonds (distance) P-C4' energy: -101.034 flat angles C4'-P-C4' energy: -85.720 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: -94.284 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: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1317.681620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.681620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.681620 (E_RNA) where: Base-Base interactions energy: -875.496 where: short stacking energy: -379.139 Base-Backbone interact. energy: -1.702 local terms energy: -440.483379 where: bonds (distance) C4'-P energy: -103.150 bonds (distance) P-C4' energy: -79.459 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -96.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1238.766886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.766886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.766886 (E_RNA) where: Base-Base interactions energy: -830.209 where: short stacking energy: -342.114 Base-Backbone interact. energy: -2.096 local terms energy: -406.462098 where: bonds (distance) C4'-P energy: -81.753 bonds (distance) P-C4' energy: -84.498 flat angles C4'-P-C4' energy: -96.514 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -87.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -994.675715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.675715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.675715 (E_RNA) where: Base-Base interactions energy: -657.651 where: short stacking energy: -297.523 Base-Backbone interact. energy: 2.080 local terms energy: -339.104647 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -79.474 flat angles P-C4'-P energy: -44.962 tors. eta vs tors. theta energy: -55.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -814.567488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.567488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.567488 (E_RNA) where: Base-Base interactions energy: -487.290 where: short stacking energy: -224.987 Base-Backbone interact. energy: 1.640 local terms energy: -328.917469 where: bonds (distance) C4'-P energy: -76.841 bonds (distance) P-C4' energy: -101.657 flat angles C4'-P-C4' energy: -73.593 flat angles P-C4'-P energy: -63.017 tors. eta vs tors. theta energy: -13.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -653.673576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.673576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.673576 (E_RNA) where: Base-Base interactions energy: -345.388 where: short stacking energy: -174.746 Base-Backbone interact. energy: 1.354 local terms energy: -309.640090 where: bonds (distance) C4'-P energy: -90.909 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -78.202 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: -26.923 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: 214 Temperature: 0.900000 Total energy: -1773.698801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.698801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.698801 (E_RNA) where: Base-Base interactions energy: -1217.496 where: short stacking energy: -539.794 Base-Backbone interact. energy: 1.098 local terms energy: -557.301152 where: bonds (distance) C4'-P energy: -102.585 bonds (distance) P-C4' energy: -104.563 flat angles C4'-P-C4' energy: -112.382 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -159.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1667.524552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.524552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.524552 (E_RNA) where: Base-Base interactions energy: -1164.313 where: short stacking energy: -497.426 Base-Backbone interact. energy: -1.719 local terms energy: -501.492704 where: bonds (distance) C4'-P energy: -94.654 bonds (distance) P-C4' energy: -99.775 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -128.320 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: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1609.839539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.839539 (E_RNA) where: Base-Base interactions energy: -1117.985 where: short stacking energy: -449.306 Base-Backbone interact. energy: -2.781 local terms energy: -489.073282 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -104.424 flat angles C4'-P-C4' energy: -94.482 flat angles P-C4'-P energy: -67.977 tors. eta vs tors. theta energy: -130.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1533.848374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.848374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.848374 (E_RNA) where: Base-Base interactions energy: -1058.884 where: short stacking energy: -422.762 Base-Backbone interact. energy: -1.069 local terms energy: -473.896009 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -100.180 flat angles C4'-P-C4' energy: -108.742 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -109.672 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: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1482.919317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.919317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.919317 (E_RNA) where: Base-Base interactions energy: -1053.913 where: short stacking energy: -417.602 Base-Backbone interact. energy: -1.624 local terms energy: -427.382910 where: bonds (distance) C4'-P energy: -76.531 bonds (distance) P-C4' energy: -83.798 flat angles C4'-P-C4' energy: -95.658 flat angles P-C4'-P energy: -71.403 tors. eta vs tors. theta energy: -99.992 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: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1328.723468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.723468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.723468 (E_RNA) where: Base-Base interactions energy: -913.951 where: short stacking energy: -402.097 Base-Backbone interact. energy: -1.829 local terms energy: -412.942650 where: bonds (distance) C4'-P energy: -59.363 bonds (distance) P-C4' energy: -97.933 flat angles C4'-P-C4' energy: -92.556 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -106.066 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: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1325.421752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.421752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.421752 (E_RNA) where: Base-Base interactions energy: -916.758 where: short stacking energy: -387.731 Base-Backbone interact. energy: -1.856 local terms energy: -406.807939 where: bonds (distance) C4'-P energy: -83.819 bonds (distance) P-C4' energy: -79.585 flat angles C4'-P-C4' energy: -88.227 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -94.623 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: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1052.685435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.685435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.685435 (E_RNA) where: Base-Base interactions energy: -701.941 where: short stacking energy: -295.565 Base-Backbone interact. energy: -0.953 local terms energy: -349.790495 where: bonds (distance) C4'-P energy: -77.590 bonds (distance) P-C4' energy: -75.639 flat angles C4'-P-C4' energy: -80.507 flat angles P-C4'-P energy: -62.588 tors. eta vs tors. theta energy: -53.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -817.196944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.196944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.196944 (E_RNA) where: Base-Base interactions energy: -504.602 where: short stacking energy: -240.165 Base-Backbone interact. energy: 0.827 local terms energy: -313.421835 where: bonds (distance) C4'-P energy: -87.527 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -77.281 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -30.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -622.723000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.723000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.723000 (E_RNA) where: Base-Base interactions energy: -333.558 where: short stacking energy: -179.288 Base-Backbone interact. energy: -1.930 local terms energy: -287.234647 where: bonds (distance) C4'-P energy: -87.638 bonds (distance) P-C4' energy: -71.584 flat angles C4'-P-C4' energy: -58.440 flat angles P-C4'-P energy: -61.314 tors. eta vs tors. theta energy: -8.258 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: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1802.961464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.961464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.961464 (E_RNA) where: Base-Base interactions energy: -1245.430 where: short stacking energy: -554.941 Base-Backbone interact. energy: -1.625 local terms energy: -555.906041 where: bonds (distance) C4'-P energy: -92.038 bonds (distance) P-C4' energy: -107.199 flat angles C4'-P-C4' energy: -114.092 flat angles P-C4'-P energy: -71.715 tors. eta vs tors. theta energy: -170.863 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: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1671.689404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.689404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.689404 (E_RNA) where: Base-Base interactions energy: -1155.126 where: short stacking energy: -495.204 Base-Backbone interact. energy: -1.069 local terms energy: -515.494749 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -94.473 flat angles C4'-P-C4' energy: -109.770 flat angles P-C4'-P energy: -68.142 tors. eta vs tors. theta energy: -145.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1619.689427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.689427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.689427 (E_RNA) where: Base-Base interactions energy: -1123.438 where: short stacking energy: -468.653 Base-Backbone interact. energy: -1.998 local terms energy: -494.253879 where: bonds (distance) C4'-P energy: -88.081 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -104.691 flat angles P-C4'-P energy: -64.624 tors. eta vs tors. theta energy: -133.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1524.200876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.200876 (E_RNA) where: Base-Base interactions energy: -1067.714 where: short stacking energy: -434.611 Base-Backbone interact. energy: -3.584 local terms energy: -452.902659 where: bonds (distance) C4'-P energy: -97.623 bonds (distance) P-C4' energy: -93.217 flat angles C4'-P-C4' energy: -95.219 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: -102.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1478.290234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.290234 (E_RNA) where: Base-Base interactions energy: -1040.981 where: short stacking energy: -422.212 Base-Backbone interact. energy: 3.444 local terms energy: -440.753472 where: bonds (distance) C4'-P energy: -84.463 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -110.876 flat angles P-C4'-P energy: -64.611 tors. eta vs tors. theta energy: -97.497 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: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1290.427469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.427469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.427469 (E_RNA) where: Base-Base interactions energy: -877.268 where: short stacking energy: -370.824 Base-Backbone interact. energy: -1.810 local terms energy: -411.349632 where: bonds (distance) C4'-P energy: -75.990 bonds (distance) P-C4' energy: -88.442 flat angles C4'-P-C4' energy: -98.840 flat angles P-C4'-P energy: -59.483 tors. eta vs tors. theta energy: -88.595 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: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1332.402345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.402345 (E_RNA) where: Base-Base interactions energy: -909.702 where: short stacking energy: -378.298 Base-Backbone interact. energy: -2.315 local terms energy: -420.385874 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -94.279 flat angles C4'-P-C4' energy: -90.948 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: -86.220 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: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1035.114133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.114133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.114133 (E_RNA) where: Base-Base interactions energy: -663.937 where: short stacking energy: -281.362 Base-Backbone interact. energy: -1.762 local terms energy: -369.414768 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -84.463 flat angles C4'-P-C4' energy: -93.528 flat angles P-C4'-P energy: -76.820 tors. eta vs tors. theta energy: -46.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -818.857436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.857436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.857436 (E_RNA) where: Base-Base interactions energy: -515.220 where: short stacking energy: -249.445 Base-Backbone interact. energy: -1.664 local terms energy: -301.974292 where: bonds (distance) C4'-P energy: -87.029 bonds (distance) P-C4' energy: -89.856 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -24.939 tors. eta vs tors. theta energy: -30.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -598.794367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.794367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.794367 (E_RNA) where: Base-Base interactions energy: -328.860 where: short stacking energy: -169.193 Base-Backbone interact. energy: 2.207 local terms energy: -272.142093 where: bonds (distance) C4'-P energy: -68.683 bonds (distance) P-C4' energy: -81.634 flat angles C4'-P-C4' energy: -76.335 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -7.348 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: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1787.925418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.925418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.925418 (E_RNA) where: Base-Base interactions energy: -1225.541 where: short stacking energy: -551.543 Base-Backbone interact. energy: -1.478 local terms energy: -560.906002 where: bonds (distance) C4'-P energy: -101.084 bonds (distance) P-C4' energy: -102.757 flat angles C4'-P-C4' energy: -114.937 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -158.723 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: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1676.834514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.834514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.834514 (E_RNA) where: Base-Base interactions energy: -1171.972 where: short stacking energy: -502.111 Base-Backbone interact. energy: -4.361 local terms energy: -500.501232 where: bonds (distance) C4'-P energy: -91.259 bonds (distance) P-C4' energy: -92.777 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -70.100 tors. eta vs tors. theta energy: -133.878 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: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1629.115005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.115005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.115005 (E_RNA) where: Base-Base interactions energy: -1156.692 where: short stacking energy: -463.882 Base-Backbone interact. energy: 2.558 local terms energy: -474.981463 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -96.236 flat angles C4'-P-C4' energy: -98.943 flat angles P-C4'-P energy: -76.118 tors. eta vs tors. theta energy: -123.755 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: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1519.292223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.292223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.292223 (E_RNA) where: Base-Base interactions energy: -1061.470 where: short stacking energy: -429.154 Base-Backbone interact. energy: 0.443 local terms energy: -458.265555 where: bonds (distance) C4'-P energy: -92.214 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -65.672 tors. eta vs tors. theta energy: -109.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1458.363847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.363847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.363847 (E_RNA) where: Base-Base interactions energy: -1018.311 where: short stacking energy: -407.456 Base-Backbone interact. energy: 2.119 local terms energy: -442.171659 where: bonds (distance) C4'-P energy: -84.567 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -101.484 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: -97.493 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: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1336.005566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.005566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.005566 (E_RNA) where: Base-Base interactions energy: -894.744 where: short stacking energy: -378.131 Base-Backbone interact. energy: -3.046 local terms energy: -438.215427 where: bonds (distance) C4'-P energy: -93.153 bonds (distance) P-C4' energy: -77.597 flat angles C4'-P-C4' energy: -111.868 flat angles P-C4'-P energy: -62.250 tors. eta vs tors. theta energy: -93.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1307.028093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.028093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.028093 (E_RNA) where: Base-Base interactions energy: -893.969 where: short stacking energy: -379.294 Base-Backbone interact. energy: 0.645 local terms energy: -413.704741 where: bonds (distance) C4'-P energy: -86.941 bonds (distance) P-C4' energy: -84.030 flat angles C4'-P-C4' energy: -87.733 flat angles P-C4'-P energy: -56.551 tors. eta vs tors. theta energy: -98.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1082.055065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.055065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.055065 (E_RNA) where: Base-Base interactions energy: -718.180 where: short stacking energy: -335.985 Base-Backbone interact. energy: 4.720 local terms energy: -368.595945 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -92.016 flat angles C4'-P-C4' energy: -87.236 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: -63.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -888.060738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.060738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.060738 (E_RNA) where: Base-Base interactions energy: -578.786 where: short stacking energy: -254.416 Base-Backbone interact. energy: 1.387 local terms energy: -310.661717 where: bonds (distance) C4'-P energy: -81.771 bonds (distance) P-C4' energy: -74.332 flat angles C4'-P-C4' energy: -81.023 flat angles P-C4'-P energy: -31.751 tors. eta vs tors. theta energy: -41.785 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: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -558.878017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.878017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.878017 (E_RNA) where: Base-Base interactions energy: -281.869 where: short stacking energy: -146.233 Base-Backbone interact. energy: -0.886 local terms energy: -276.122623 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -79.991 flat angles C4'-P-C4' energy: -78.200 flat angles P-C4'-P energy: -25.803 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1770.301242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.301242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.301242 (E_RNA) where: Base-Base interactions energy: -1227.776 where: short stacking energy: -544.486 Base-Backbone interact. energy: -1.104 local terms energy: -541.421016 where: bonds (distance) C4'-P energy: -97.558 bonds (distance) P-C4' energy: -94.971 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -69.517 tors. eta vs tors. theta energy: -162.395 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: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1669.758011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.758011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.758011 (E_RNA) where: Base-Base interactions energy: -1169.550 where: short stacking energy: -464.324 Base-Backbone interact. energy: -3.278 local terms energy: -496.930840 where: bonds (distance) C4'-P energy: -100.152 bonds (distance) P-C4' energy: -102.121 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -65.300 tors. eta vs tors. theta energy: -126.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1619.543569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.543569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.543569 (E_RNA) where: Base-Base interactions energy: -1130.700 where: short stacking energy: -469.493 Base-Backbone interact. energy: 0.167 local terms energy: -489.010555 where: bonds (distance) C4'-P energy: -96.579 bonds (distance) P-C4' energy: -97.411 flat angles C4'-P-C4' energy: -111.445 flat angles P-C4'-P energy: -61.695 tors. eta vs tors. theta energy: -121.879 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: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1486.395171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.395171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.395171 (E_RNA) where: Base-Base interactions energy: -1065.880 where: short stacking energy: -439.011 Base-Backbone interact. energy: -5.091 local terms energy: -415.423962 where: bonds (distance) C4'-P energy: -66.241 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -89.020 flat angles P-C4'-P energy: -73.191 tors. eta vs tors. theta energy: -97.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1407.785159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.785159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.785159 (E_RNA) where: Base-Base interactions energy: -1005.890 where: short stacking energy: -406.913 Base-Backbone interact. energy: -0.551 local terms energy: -401.344317 where: bonds (distance) C4'-P energy: -79.173 bonds (distance) P-C4' energy: -78.225 flat angles C4'-P-C4' energy: -96.713 flat angles P-C4'-P energy: -60.612 tors. eta vs tors. theta energy: -86.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1344.802197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.802197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.802197 (E_RNA) where: Base-Base interactions energy: -902.482 where: short stacking energy: -389.346 Base-Backbone interact. energy: -0.536 local terms energy: -441.783591 where: bonds (distance) C4'-P energy: -88.005 bonds (distance) P-C4' energy: -84.000 flat angles C4'-P-C4' energy: -98.569 flat angles P-C4'-P energy: -62.455 tors. eta vs tors. theta energy: -108.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1273.483404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.483404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.483404 (E_RNA) where: Base-Base interactions energy: -876.053 where: short stacking energy: -383.068 Base-Backbone interact. energy: 4.593 local terms energy: -402.023113 where: bonds (distance) C4'-P energy: -71.451 bonds (distance) P-C4' energy: -82.947 flat angles C4'-P-C4' energy: -91.709 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -101.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1055.990071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.990071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.990071 (E_RNA) where: Base-Base interactions energy: -711.545 where: short stacking energy: -316.415 Base-Backbone interact. energy: -1.372 local terms energy: -343.073229 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -81.273 flat angles C4'-P-C4' energy: -77.891 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -38.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -938.626447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.626447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.626447 (E_RNA) where: Base-Base interactions energy: -587.506 where: short stacking energy: -256.769 Base-Backbone interact. energy: 1.877 local terms energy: -352.997984 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -77.415 flat angles C4'-P-C4' energy: -84.693 flat angles P-C4'-P energy: -60.545 tors. eta vs tors. theta energy: -46.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -522.131149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.131149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.131149 (E_RNA) where: Base-Base interactions energy: -241.709 where: short stacking energy: -148.636 Base-Backbone interact. energy: 0.953 local terms energy: -281.375547 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -81.279 flat angles C4'-P-C4' energy: -69.011 flat angles P-C4'-P energy: -45.101 tors. eta vs tors. theta energy: -24.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1780.968423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.968423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.968423 (E_RNA) where: Base-Base interactions energy: -1229.505 where: short stacking energy: -550.285 Base-Backbone interact. energy: 0.685 local terms energy: -552.147885 where: bonds (distance) C4'-P energy: -102.558 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -115.144 flat angles P-C4'-P energy: -75.496 tors. eta vs tors. theta energy: -159.336 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: 218 Temperature: 0.950000 Total energy: -1660.983326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.983326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.983326 (E_RNA) where: Base-Base interactions energy: -1165.455 where: short stacking energy: -472.173 Base-Backbone interact. energy: -0.982 local terms energy: -494.546553 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -89.328 flat angles C4'-P-C4' energy: -107.158 flat angles P-C4'-P energy: -68.979 tors. eta vs tors. theta energy: -131.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1617.231081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.231081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.231081 (E_RNA) where: Base-Base interactions energy: -1143.035 where: short stacking energy: -466.326 Base-Backbone interact. energy: -2.704 local terms energy: -471.492997 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -100.247 flat angles C4'-P-C4' energy: -106.286 flat angles P-C4'-P energy: -55.219 tors. eta vs tors. theta energy: -126.974 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: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1520.208162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.208162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.208162 (E_RNA) where: Base-Base interactions energy: -1070.487 where: short stacking energy: -419.679 Base-Backbone interact. energy: -1.330 local terms energy: -448.391418 where: bonds (distance) C4'-P energy: -75.815 bonds (distance) P-C4' energy: -94.817 flat angles C4'-P-C4' energy: -96.853 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -101.750 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: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1394.143758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.143758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.143758 (E_RNA) where: Base-Base interactions energy: -964.501 where: short stacking energy: -418.107 Base-Backbone interact. energy: -0.959 local terms energy: -428.684352 where: bonds (distance) C4'-P energy: -70.153 bonds (distance) P-C4' energy: -100.748 flat angles C4'-P-C4' energy: -87.799 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -111.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1350.116029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.116029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.116029 (E_RNA) where: Base-Base interactions energy: -947.554 where: short stacking energy: -380.844 Base-Backbone interact. energy: -1.780 local terms energy: -400.781652 where: bonds (distance) C4'-P energy: -91.009 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -81.933 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -81.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1325.626556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.626556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.626556 (E_RNA) where: Base-Base interactions energy: -926.479 where: short stacking energy: -398.065 Base-Backbone interact. energy: 1.714 local terms energy: -400.861649 where: bonds (distance) C4'-P energy: -79.855 bonds (distance) P-C4' energy: -67.667 flat angles C4'-P-C4' energy: -96.242 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: -99.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1086.529910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.529910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.529910 (E_RNA) where: Base-Base interactions energy: -700.096 where: short stacking energy: -313.255 Base-Backbone interact. energy: -1.602 local terms energy: -384.831780 where: bonds (distance) C4'-P energy: -78.564 bonds (distance) P-C4' energy: -90.923 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -67.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -893.199635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.199635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.199635 (E_RNA) where: Base-Base interactions energy: -556.070 where: short stacking energy: -257.132 Base-Backbone interact. energy: -0.513 local terms energy: -336.617047 where: bonds (distance) C4'-P energy: -90.684 bonds (distance) P-C4' energy: -74.442 flat angles C4'-P-C4' energy: -77.235 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -35.243 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: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -495.066157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.066157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.066157 (E_RNA) where: Base-Base interactions energy: -233.476 where: short stacking energy: -160.778 Base-Backbone interact. energy: 3.892 local terms energy: -265.482620 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -82.246 flat angles C4'-P-C4' energy: -79.409 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: 7.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1789.819205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.819205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.819205 (E_RNA) where: Base-Base interactions energy: -1232.954 where: short stacking energy: -550.056 Base-Backbone interact. energy: -0.336 local terms energy: -556.529984 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -95.174 flat angles C4'-P-C4' energy: -118.655 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -165.305 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: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1664.481064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.481064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.481064 (E_RNA) where: Base-Base interactions energy: -1166.483 where: short stacking energy: -479.084 Base-Backbone interact. energy: -0.929 local terms energy: -497.069088 where: bonds (distance) C4'-P energy: -100.790 bonds (distance) P-C4' energy: -99.574 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -133.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1611.654416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.654416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.654416 (E_RNA) where: Base-Base interactions energy: -1145.892 where: short stacking energy: -471.536 Base-Backbone interact. energy: -3.845 local terms energy: -461.916693 where: bonds (distance) C4'-P energy: -91.123 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -127.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1527.026337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.026337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.026337 (E_RNA) where: Base-Base interactions energy: -1076.320 where: short stacking energy: -433.387 Base-Backbone interact. energy: -0.626 local terms energy: -450.080168 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -86.826 flat angles C4'-P-C4' energy: -110.836 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -101.174 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1414.984951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.984951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.984951 (E_RNA) where: Base-Base interactions energy: -940.160 where: short stacking energy: -428.555 Base-Backbone interact. energy: -3.363 local terms energy: -471.461513 where: bonds (distance) C4'-P energy: -92.509 bonds (distance) P-C4' energy: -96.432 flat angles C4'-P-C4' energy: -109.211 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: -119.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1358.266679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.266679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.266679 (E_RNA) where: Base-Base interactions energy: -969.256 where: short stacking energy: -390.146 Base-Backbone interact. energy: -1.266 local terms energy: -387.744141 where: bonds (distance) C4'-P energy: -84.756 bonds (distance) P-C4' energy: -73.199 flat angles C4'-P-C4' energy: -98.400 flat angles P-C4'-P energy: -45.579 tors. eta vs tors. theta energy: -85.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1317.934121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.934121 (E_RNA) where: Base-Base interactions energy: -888.416 where: short stacking energy: -391.125 Base-Backbone interact. energy: -2.985 local terms energy: -426.533572 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: -104.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1093.605381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.605381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.605381 (E_RNA) where: Base-Base interactions energy: -725.412 where: short stacking energy: -322.713 Base-Backbone interact. energy: -2.761 local terms energy: -365.432391 where: bonds (distance) C4'-P energy: -80.347 bonds (distance) P-C4' energy: -84.983 flat angles C4'-P-C4' energy: -87.318 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -64.648 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -986.741328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.741328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.741328 (E_RNA) where: Base-Base interactions energy: -641.782 where: short stacking energy: -273.814 Base-Backbone interact. energy: 6.613 local terms energy: -351.572279 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -77.092 flat angles C4'-P-C4' energy: -85.997 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -57.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -482.839607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.839607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.839607 (E_RNA) where: Base-Base interactions energy: -208.927 where: short stacking energy: -130.500 Base-Backbone interact. energy: 1.008 local terms energy: -274.920425 where: bonds (distance) C4'-P energy: -80.297 bonds (distance) P-C4' energy: -95.246 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -34.401 tors. eta vs tors. theta energy: 4.985 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: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1789.414334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.414334 (E_RNA) where: Base-Base interactions energy: -1242.766 where: short stacking energy: -547.154 Base-Backbone interact. energy: -1.907 local terms energy: -544.741153 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -112.749 flat angles P-C4'-P energy: -75.201 tors. eta vs tors. theta energy: -168.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1705.319963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.319963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.319963 (E_RNA) where: Base-Base interactions energy: -1181.168 where: short stacking energy: -469.300 Base-Backbone interact. energy: -4.122 local terms energy: -520.029533 where: bonds (distance) C4'-P energy: -97.701 bonds (distance) P-C4' energy: -99.436 flat angles C4'-P-C4' energy: -116.100 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -128.987 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: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1633.291340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.291340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.291340 (E_RNA) where: Base-Base interactions energy: -1141.163 where: short stacking energy: -451.830 Base-Backbone interact. energy: -2.566 local terms energy: -489.562886 where: bonds (distance) C4'-P energy: -96.470 bonds (distance) P-C4' energy: -101.080 flat angles C4'-P-C4' energy: -106.186 flat angles P-C4'-P energy: -65.486 tors. eta vs tors. theta energy: -120.341 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: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1483.799443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.799443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.799443 (E_RNA) where: Base-Base interactions energy: -1041.221 where: short stacking energy: -410.837 Base-Backbone interact. energy: -2.286 local terms energy: -440.292612 where: bonds (distance) C4'-P energy: -78.752 bonds (distance) P-C4' energy: -96.969 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: -97.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1442.232807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.232807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.232807 (E_RNA) where: Base-Base interactions energy: -974.008 where: short stacking energy: -405.945 Base-Backbone interact. energy: 0.260 local terms energy: -468.485103 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -93.351 flat angles C4'-P-C4' energy: -86.459 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -125.334 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: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1331.666508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.666508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.666508 (E_RNA) where: Base-Base interactions energy: -946.995 where: short stacking energy: -396.919 Base-Backbone interact. energy: -0.162 local terms energy: -384.508767 where: bonds (distance) C4'-P energy: -87.471 bonds (distance) P-C4' energy: -79.927 flat angles C4'-P-C4' energy: -87.244 flat angles P-C4'-P energy: -41.188 tors. eta vs tors. theta energy: -88.679 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: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1285.856342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.856342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.856342 (E_RNA) where: Base-Base interactions energy: -863.630 where: short stacking energy: -385.854 Base-Backbone interact. energy: -0.584 local terms energy: -421.642173 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -75.473 flat angles P-C4'-P energy: -70.436 tors. eta vs tors. theta energy: -110.901 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: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1106.279000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.279000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.279000 (E_RNA) where: Base-Base interactions energy: -709.628 where: short stacking energy: -316.322 Base-Backbone interact. energy: 0.908 local terms energy: -397.558947 where: bonds (distance) C4'-P energy: -89.541 bonds (distance) P-C4' energy: -86.527 flat angles C4'-P-C4' energy: -96.987 flat angles P-C4'-P energy: -62.612 tors. eta vs tors. theta energy: -61.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -968.936353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.936353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.936353 (E_RNA) where: Base-Base interactions energy: -615.704 where: short stacking energy: -288.237 Base-Backbone interact. energy: 0.266 local terms energy: -353.498642 where: bonds (distance) C4'-P energy: -79.191 bonds (distance) P-C4' energy: -76.211 flat angles C4'-P-C4' energy: -83.349 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -61.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -517.108133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.108133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.108133 (E_RNA) where: Base-Base interactions energy: -254.171 where: short stacking energy: -155.499 Base-Backbone interact. energy: -1.725 local terms energy: -261.212484 where: bonds (distance) C4'-P energy: -73.687 bonds (distance) P-C4' energy: -84.089 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -39.831 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1814.038404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.038404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.038404 (E_RNA) where: Base-Base interactions energy: -1260.634 where: short stacking energy: -573.291 Base-Backbone interact. energy: -2.065 local terms energy: -551.338916 where: bonds (distance) C4'-P energy: -96.473 bonds (distance) P-C4' energy: -102.194 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: -171.456 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: 221 Temperature: 0.950000 Total energy: -1678.648433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.648433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.648433 (E_RNA) where: Base-Base interactions energy: -1178.565 where: short stacking energy: -484.825 Base-Backbone interact. energy: -1.395 local terms energy: -498.688647 where: bonds (distance) C4'-P energy: -81.775 bonds (distance) P-C4' energy: -111.313 flat angles C4'-P-C4' energy: -109.329 flat angles P-C4'-P energy: -61.118 tors. eta vs tors. theta energy: -135.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1628.096787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.096787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.096787 (E_RNA) where: Base-Base interactions energy: -1133.086 where: short stacking energy: -465.990 Base-Backbone interact. energy: -3.415 local terms energy: -491.595680 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -126.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1488.565094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.565094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.565094 (E_RNA) where: Base-Base interactions energy: -1031.425 where: short stacking energy: -416.283 Base-Backbone interact. energy: -2.228 local terms energy: -454.911830 where: bonds (distance) C4'-P energy: -84.675 bonds (distance) P-C4' energy: -98.473 flat angles C4'-P-C4' energy: -97.768 flat angles P-C4'-P energy: -64.948 tors. eta vs tors. theta energy: -109.049 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: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1478.088004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.088004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.088004 (E_RNA) where: Base-Base interactions energy: -1037.439 where: short stacking energy: -435.199 Base-Backbone interact. energy: -1.615 local terms energy: -439.033552 where: bonds (distance) C4'-P energy: -98.845 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -99.886 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -103.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1358.720361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.720361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.720361 (E_RNA) where: Base-Base interactions energy: -942.829 where: short stacking energy: -384.897 Base-Backbone interact. energy: -2.775 local terms energy: -413.115716 where: bonds (distance) C4'-P energy: -81.716 bonds (distance) P-C4' energy: -97.119 flat angles C4'-P-C4' energy: -99.093 flat angles P-C4'-P energy: -51.765 tors. eta vs tors. theta energy: -83.423 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1350.194867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.194867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.194867 (E_RNA) where: Base-Base interactions energy: -916.628 where: short stacking energy: -401.077 Base-Backbone interact. energy: 0.222 local terms energy: -433.788856 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -88.185 flat angles C4'-P-C4' energy: -90.145 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: -110.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1087.153059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.153059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.153059 (E_RNA) where: Base-Base interactions energy: -737.903 where: short stacking energy: -313.798 Base-Backbone interact. energy: -0.089 local terms energy: -349.161368 where: bonds (distance) C4'-P energy: -80.574 bonds (distance) P-C4' energy: -76.976 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -71.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -930.699150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.699150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.699150 (E_RNA) where: Base-Base interactions energy: -604.797 where: short stacking energy: -289.967 Base-Backbone interact. energy: 1.109 local terms energy: -327.010529 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -45.171 tors. eta vs tors. theta energy: -58.892 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: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -486.397677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.397677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.397677 (E_RNA) where: Base-Base interactions energy: -246.839 where: short stacking energy: -147.249 Base-Backbone interact. energy: -1.184 local terms energy: -238.374566 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -71.522 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: 14.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1768.275446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.275446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.275446 (E_RNA) where: Base-Base interactions energy: -1232.948 where: short stacking energy: -549.013 Base-Backbone interact. energy: -3.267 local terms energy: -532.060108 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -95.791 flat angles C4'-P-C4' energy: -102.349 flat angles P-C4'-P energy: -79.631 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: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1666.215832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.215832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.215832 (E_RNA) where: Base-Base interactions energy: -1164.859 where: short stacking energy: -465.140 Base-Backbone interact. energy: -4.132 local terms energy: -497.224423 where: bonds (distance) C4'-P energy: -101.766 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -104.051 flat angles P-C4'-P energy: -69.575 tors. eta vs tors. theta energy: -125.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1618.946175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.946175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.946175 (E_RNA) where: Base-Base interactions energy: -1130.630 where: short stacking energy: -474.789 Base-Backbone interact. energy: -3.168 local terms energy: -485.148141 where: bonds (distance) C4'-P energy: -94.998 bonds (distance) P-C4' energy: -80.636 flat angles C4'-P-C4' energy: -105.862 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: -132.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1522.078876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.078876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.078876 (E_RNA) where: Base-Base interactions energy: -1046.233 where: short stacking energy: -440.886 Base-Backbone interact. energy: -3.496 local terms energy: -472.349129 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -99.310 flat angles C4'-P-C4' energy: -99.444 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -122.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1448.768631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.768631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.768631 (E_RNA) where: Base-Base interactions energy: -1026.420 where: short stacking energy: -416.977 Base-Backbone interact. energy: 3.524 local terms energy: -425.873299 where: bonds (distance) C4'-P energy: -88.827 bonds (distance) P-C4' energy: -94.422 flat angles C4'-P-C4' energy: -106.588 flat angles P-C4'-P energy: -40.567 tors. eta vs tors. theta energy: -95.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1316.536717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.536717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.536717 (E_RNA) where: Base-Base interactions energy: -902.127 where: short stacking energy: -381.980 Base-Backbone interact. energy: 0.232 local terms energy: -414.641578 where: bonds (distance) C4'-P energy: -76.597 bonds (distance) P-C4' energy: -77.786 flat angles C4'-P-C4' energy: -98.574 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -101.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1363.550941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.550941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.550941 (E_RNA) where: Base-Base interactions energy: -931.564 where: short stacking energy: -417.105 Base-Backbone interact. energy: -0.838 local terms energy: -431.149265 where: bonds (distance) C4'-P energy: -77.477 bonds (distance) P-C4' energy: -71.030 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -62.725 tors. eta vs tors. theta energy: -118.901 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1083.377858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.377858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.377858 (E_RNA) where: Base-Base interactions energy: -738.510 where: short stacking energy: -311.589 Base-Backbone interact. energy: 4.114 local terms energy: -348.982407 where: bonds (distance) C4'-P energy: -86.624 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -73.456 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: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -935.018741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.018741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.018741 (E_RNA) where: Base-Base interactions energy: -592.256 where: short stacking energy: -263.939 Base-Backbone interact. energy: 0.699 local terms energy: -343.461928 where: bonds (distance) C4'-P energy: -82.288 bonds (distance) P-C4' energy: -83.705 flat angles C4'-P-C4' energy: -85.873 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: -41.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -503.767571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.767571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.767571 (E_RNA) where: Base-Base interactions energy: -243.089 where: short stacking energy: -145.498 Base-Backbone interact. energy: 2.607 local terms energy: -263.285860 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -73.763 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -47.514 tors. eta vs tors. theta energy: 2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1758.106846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.106846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.106846 (E_RNA) where: Base-Base interactions energy: -1216.833 where: short stacking energy: -522.839 Base-Backbone interact. energy: -1.164 local terms energy: -540.110283 where: bonds (distance) C4'-P energy: -97.128 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -115.761 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -154.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1649.852208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.852208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.852208 (E_RNA) where: Base-Base interactions energy: -1156.269 where: short stacking energy: -480.067 Base-Backbone interact. energy: 1.955 local terms energy: -495.538256 where: bonds (distance) C4'-P energy: -82.583 bonds (distance) P-C4' energy: -101.373 flat angles C4'-P-C4' energy: -105.201 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -132.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1631.798752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.798752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.798752 (E_RNA) where: Base-Base interactions energy: -1134.971 where: short stacking energy: -469.494 Base-Backbone interact. energy: -5.753 local terms energy: -491.074807 where: bonds (distance) C4'-P energy: -86.855 bonds (distance) P-C4' energy: -92.857 flat angles C4'-P-C4' energy: -100.283 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: -135.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1534.225253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.225253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.225253 (E_RNA) where: Base-Base interactions energy: -1047.691 where: short stacking energy: -450.335 Base-Backbone interact. energy: 0.767 local terms energy: -487.301857 where: bonds (distance) C4'-P energy: -92.183 bonds (distance) P-C4' energy: -87.596 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -75.021 tors. eta vs tors. theta energy: -127.588 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: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1444.278477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.278477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.278477 (E_RNA) where: Base-Base interactions energy: -999.091 where: short stacking energy: -392.313 Base-Backbone interact. energy: 1.899 local terms energy: -447.086627 where: bonds (distance) C4'-P energy: -106.288 bonds (distance) P-C4' energy: -90.590 flat angles C4'-P-C4' energy: -93.588 flat angles P-C4'-P energy: -71.194 tors. eta vs tors. theta energy: -85.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1332.873937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.873937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.873937 (E_RNA) where: Base-Base interactions energy: -927.720 where: short stacking energy: -392.515 Base-Backbone interact. energy: -1.302 local terms energy: -403.852148 where: bonds (distance) C4'-P energy: -69.865 bonds (distance) P-C4' energy: -85.864 flat angles C4'-P-C4' energy: -90.013 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: -87.601 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: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1296.276676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.276676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.276676 (E_RNA) where: Base-Base interactions energy: -882.400 where: short stacking energy: -378.608 Base-Backbone interact. energy: -0.533 local terms energy: -413.344111 where: bonds (distance) C4'-P energy: -89.077 bonds (distance) P-C4' energy: -78.823 flat angles C4'-P-C4' energy: -91.214 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -98.608 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: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1137.810651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.810651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.810651 (E_RNA) where: Base-Base interactions energy: -741.261 where: short stacking energy: -317.270 Base-Backbone interact. energy: 2.317 local terms energy: -398.866070 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: -78.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -918.037282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.037282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.037282 (E_RNA) where: Base-Base interactions energy: -574.331 where: short stacking energy: -254.566 Base-Backbone interact. energy: 1.422 local terms energy: -345.128253 where: bonds (distance) C4'-P energy: -79.679 bonds (distance) P-C4' energy: -72.274 flat angles C4'-P-C4' energy: -81.641 flat angles P-C4'-P energy: -64.134 tors. eta vs tors. theta energy: -47.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -521.427695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.427695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.427695 (E_RNA) where: Base-Base interactions energy: -229.941 where: short stacking energy: -155.616 Base-Backbone interact. energy: -2.577 local terms energy: -288.910594 where: bonds (distance) C4'-P energy: -83.035 bonds (distance) P-C4' energy: -85.372 flat angles C4'-P-C4' energy: -74.813 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: 1.096 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: 224 Temperature: 0.900000 Total energy: -1777.451286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.451286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.451286 (E_RNA) where: Base-Base interactions energy: -1224.000 where: short stacking energy: -532.169 Base-Backbone interact. energy: -1.071 local terms energy: -552.380319 where: bonds (distance) C4'-P energy: -101.657 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -111.962 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -157.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1669.491470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.491470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.491470 (E_RNA) where: Base-Base interactions energy: -1175.445 where: short stacking energy: -479.620 Base-Backbone interact. energy: -2.272 local terms energy: -491.774082 where: bonds (distance) C4'-P energy: -102.895 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -104.924 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -133.139 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: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1640.185979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.185979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.185979 (E_RNA) where: Base-Base interactions energy: -1140.253 where: short stacking energy: -464.013 Base-Backbone interact. energy: -6.401 local terms energy: -493.532394 where: bonds (distance) C4'-P energy: -89.252 bonds (distance) P-C4' energy: -97.107 flat angles C4'-P-C4' energy: -106.106 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -133.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1523.466422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.466422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.466422 (E_RNA) where: Base-Base interactions energy: -1027.907 where: short stacking energy: -473.156 Base-Backbone interact. energy: -1.726 local terms energy: -493.833367 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -99.833 flat angles C4'-P-C4' energy: -98.157 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -133.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1416.543669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.543669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.543669 (E_RNA) where: Base-Base interactions energy: -1000.948 where: short stacking energy: -366.127 Base-Backbone interact. energy: -0.418 local terms energy: -415.178078 where: bonds (distance) C4'-P energy: -76.422 bonds (distance) P-C4' energy: -85.551 flat angles C4'-P-C4' energy: -104.966 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: -82.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1363.833716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.833716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.833716 (E_RNA) where: Base-Base interactions energy: -946.772 where: short stacking energy: -386.376 Base-Backbone interact. energy: -1.866 local terms energy: -415.195347 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -89.828 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -56.359 tors. eta vs tors. theta energy: -85.817 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: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1348.957133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.957133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.957133 (E_RNA) where: Base-Base interactions energy: -923.029 where: short stacking energy: -404.669 Base-Backbone interact. energy: -2.183 local terms energy: -423.745664 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -60.823 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: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1092.450256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.450256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.450256 (E_RNA) where: Base-Base interactions energy: -728.888 where: short stacking energy: -310.098 Base-Backbone interact. energy: -2.124 local terms energy: -361.437833 where: bonds (distance) C4'-P energy: -72.238 bonds (distance) P-C4' energy: -73.848 flat angles C4'-P-C4' energy: -85.051 flat angles P-C4'-P energy: -61.198 tors. eta vs tors. theta energy: -69.103 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -952.845761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.845761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.845761 (E_RNA) where: Base-Base interactions energy: -614.740 where: short stacking energy: -281.406 Base-Backbone interact. energy: -1.157 local terms energy: -336.948049 where: bonds (distance) C4'-P energy: -71.308 bonds (distance) P-C4' energy: -80.399 flat angles C4'-P-C4' energy: -84.206 flat angles P-C4'-P energy: -50.830 tors. eta vs tors. theta energy: -50.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -509.756596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.756596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.756596 (E_RNA) where: Base-Base interactions energy: -252.015 where: short stacking energy: -157.181 Base-Backbone interact. energy: 2.683 local terms energy: -260.424543 where: bonds (distance) C4'-P energy: -81.384 bonds (distance) P-C4' energy: -83.407 flat angles C4'-P-C4' energy: -49.642 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1796.277674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.277674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.277674 (E_RNA) where: Base-Base interactions energy: -1242.818 where: short stacking energy: -544.275 Base-Backbone interact. energy: -1.410 local terms energy: -552.050068 where: bonds (distance) C4'-P energy: -104.537 bonds (distance) P-C4' energy: -93.737 flat angles C4'-P-C4' energy: -114.243 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -165.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1654.344017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.344017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.344017 (E_RNA) where: Base-Base interactions energy: -1139.595 where: short stacking energy: -474.296 Base-Backbone interact. energy: -0.266 local terms energy: -514.483414 where: bonds (distance) C4'-P energy: -89.381 bonds (distance) P-C4' energy: -100.827 flat angles C4'-P-C4' energy: -115.715 flat angles P-C4'-P energy: -77.809 tors. eta vs tors. theta energy: -130.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1626.050079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.050079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.050079 (E_RNA) where: Base-Base interactions energy: -1129.464 where: short stacking energy: -439.378 Base-Backbone interact. energy: -1.572 local terms energy: -495.013315 where: bonds (distance) C4'-P energy: -95.597 bonds (distance) P-C4' energy: -102.654 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -70.486 tors. eta vs tors. theta energy: -129.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1483.607880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.607880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.607880 (E_RNA) where: Base-Base interactions energy: -1001.677 where: short stacking energy: -425.482 Base-Backbone interact. energy: 0.035 local terms energy: -481.966213 where: bonds (distance) C4'-P energy: -87.518 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -101.188 flat angles P-C4'-P energy: -68.000 tors. eta vs tors. theta energy: -129.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1481.978327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.978327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.978327 (E_RNA) where: Base-Base interactions energy: -1080.296 where: short stacking energy: -408.273 Base-Backbone interact. energy: -5.218 local terms energy: -396.464776 where: bonds (distance) C4'-P energy: -80.955 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: -89.714 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: 225 Temperature: 1.150000 Total energy: -1342.507077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.507077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.507077 (E_RNA) where: Base-Base interactions energy: -929.124 where: short stacking energy: -416.270 Base-Backbone interact. energy: -0.790 local terms energy: -412.592573 where: bonds (distance) C4'-P energy: -87.983 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -90.808 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -108.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1287.993281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.993281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.993281 (E_RNA) where: Base-Base interactions energy: -887.798 where: short stacking energy: -396.107 Base-Backbone interact. energy: -0.978 local terms energy: -399.217094 where: bonds (distance) C4'-P energy: -71.256 bonds (distance) P-C4' energy: -83.049 flat angles C4'-P-C4' energy: -85.706 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -103.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1090.129179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.129179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.129179 (E_RNA) where: Base-Base interactions energy: -736.020 where: short stacking energy: -319.559 Base-Backbone interact. energy: -0.584 local terms energy: -353.525710 where: bonds (distance) C4'-P energy: -67.215 bonds (distance) P-C4' energy: -81.379 flat angles C4'-P-C4' energy: -93.526 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -64.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -978.328987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.328987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.328987 (E_RNA) where: Base-Base interactions energy: -685.177 where: short stacking energy: -310.450 Base-Backbone interact. energy: -0.792 local terms energy: -292.360432 where: bonds (distance) C4'-P energy: -49.345 bonds (distance) P-C4' energy: -55.016 flat angles C4'-P-C4' energy: -78.091 flat angles P-C4'-P energy: -47.306 tors. eta vs tors. theta energy: -62.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -532.145535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.145535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.145535 (E_RNA) where: Base-Base interactions energy: -266.057 where: short stacking energy: -157.321 Base-Backbone interact. energy: -2.818 local terms energy: -263.271317 where: bonds (distance) C4'-P energy: -76.361 bonds (distance) P-C4' energy: -79.343 flat angles C4'-P-C4' energy: -63.125 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: 3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1787.679997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.679997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.679997 (E_RNA) where: Base-Base interactions energy: -1247.782 where: short stacking energy: -544.645 Base-Backbone interact. energy: -3.227 local terms energy: -536.671480 where: bonds (distance) C4'-P energy: -92.239 bonds (distance) P-C4' energy: -86.422 flat angles C4'-P-C4' energy: -117.733 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -164.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1680.835568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.835568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.835568 (E_RNA) where: Base-Base interactions energy: -1188.207 where: short stacking energy: -499.309 Base-Backbone interact. energy: -1.550 local terms energy: -491.078432 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -89.748 flat angles C4'-P-C4' energy: -94.775 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: -134.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1593.569503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.569503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.569503 (E_RNA) where: Base-Base interactions energy: -1103.670 where: short stacking energy: -450.203 Base-Backbone interact. energy: -1.592 local terms energy: -488.307018 where: bonds (distance) C4'-P energy: -88.501 bonds (distance) P-C4' energy: -100.346 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -67.381 tors. eta vs tors. theta energy: -123.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1468.863026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.863026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.863026 (E_RNA) where: Base-Base interactions energy: -1004.997 where: short stacking energy: -434.302 Base-Backbone interact. energy: 0.296 local terms energy: -464.161204 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -80.306 flat angles C4'-P-C4' energy: -99.976 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -124.504 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: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1480.564923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.564923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.564923 (E_RNA) where: Base-Base interactions energy: -1042.932 where: short stacking energy: -407.318 Base-Backbone interact. energy: -3.714 local terms energy: -433.919346 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -100.991 flat angles P-C4'-P energy: -65.972 tors. eta vs tors. theta energy: -109.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1360.976093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.976093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.976093 (E_RNA) where: Base-Base interactions energy: -925.891 where: short stacking energy: -398.789 Base-Backbone interact. energy: -1.617 local terms energy: -433.467966 where: bonds (distance) C4'-P energy: -81.273 bonds (distance) P-C4' energy: -90.870 flat angles C4'-P-C4' energy: -91.655 flat angles P-C4'-P energy: -66.283 tors. eta vs tors. theta energy: -103.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1160.344296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.344296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.344296 (E_RNA) where: Base-Base interactions energy: -794.591 where: short stacking energy: -322.854 Base-Backbone interact. energy: -2.224 local terms energy: -363.529263 where: bonds (distance) C4'-P energy: -88.128 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -48.666 tors. eta vs tors. theta energy: -67.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1132.135741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.135741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.135741 (E_RNA) where: Base-Base interactions energy: -765.459 where: short stacking energy: -357.106 Base-Backbone interact. energy: -0.443 local terms energy: -366.233359 where: bonds (distance) C4'-P energy: -73.667 bonds (distance) P-C4' energy: -100.663 flat angles C4'-P-C4' energy: -69.768 flat angles P-C4'-P energy: -42.161 tors. eta vs tors. theta energy: -79.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -940.568525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.568525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.568525 (E_RNA) where: Base-Base interactions energy: -602.655 where: short stacking energy: -283.487 Base-Backbone interact. energy: -2.071 local terms energy: -335.843253 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -75.353 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -56.264 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: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -577.987088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.987088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.987088 (E_RNA) where: Base-Base interactions energy: -298.104 where: short stacking energy: -167.980 Base-Backbone interact. energy: -0.546 local terms energy: -279.337174 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -97.968 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -27.084 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1802.898046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.898046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.898046 (E_RNA) where: Base-Base interactions energy: -1244.606 where: short stacking energy: -536.679 Base-Backbone interact. energy: -3.608 local terms energy: -554.684262 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -109.166 flat angles C4'-P-C4' energy: -109.216 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -160.097 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: 227 Temperature: 0.950000 Total energy: -1675.466858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.466858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.466858 (E_RNA) where: Base-Base interactions energy: -1164.771 where: short stacking energy: -494.072 Base-Backbone interact. energy: 2.001 local terms energy: -512.696642 where: bonds (distance) C4'-P energy: -92.337 bonds (distance) P-C4' energy: -98.819 flat angles C4'-P-C4' energy: -107.690 flat angles P-C4'-P energy: -76.328 tors. eta vs tors. theta energy: -137.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1603.252433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.252433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.252433 (E_RNA) where: Base-Base interactions energy: -1104.302 where: short stacking energy: -447.353 Base-Backbone interact. energy: -1.222 local terms energy: -497.728083 where: bonds (distance) C4'-P energy: -101.192 bonds (distance) P-C4' energy: -96.439 flat angles C4'-P-C4' energy: -103.466 flat angles P-C4'-P energy: -67.833 tors. eta vs tors. theta energy: -128.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1513.956662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.956662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.956662 (E_RNA) where: Base-Base interactions energy: -1063.399 where: short stacking energy: -415.510 Base-Backbone interact. energy: -0.107 local terms energy: -450.450756 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -93.750 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -98.222 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: -1411.631162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.631162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.631162 (E_RNA) where: Base-Base interactions energy: -972.828 where: short stacking energy: -436.128 Base-Backbone interact. energy: -1.879 local terms energy: -436.924711 where: bonds (distance) C4'-P energy: -95.896 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -97.115 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: -115.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1396.547969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.547969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.547969 (E_RNA) where: Base-Base interactions energy: -952.051 where: short stacking energy: -435.744 Base-Backbone interact. energy: -1.333 local terms energy: -443.164042 where: bonds (distance) C4'-P energy: -80.457 bonds (distance) P-C4' energy: -96.239 flat angles C4'-P-C4' energy: -100.887 flat angles P-C4'-P energy: -51.905 tors. eta vs tors. theta energy: -113.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1179.906365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.906365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.906365 (E_RNA) where: Base-Base interactions energy: -792.266 where: short stacking energy: -349.885 Base-Backbone interact. energy: -3.237 local terms energy: -384.402494 where: bonds (distance) C4'-P energy: -68.504 bonds (distance) P-C4' energy: -85.809 flat angles C4'-P-C4' energy: -94.351 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -71.623 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1098.898295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.898295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.898295 (E_RNA) where: Base-Base interactions energy: -735.236 where: short stacking energy: -303.427 Base-Backbone interact. energy: -1.090 local terms energy: -362.572251 where: bonds (distance) C4'-P energy: -66.296 bonds (distance) P-C4' energy: -83.048 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -54.422 tors. eta vs tors. theta energy: -68.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -941.973124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.973124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.973124 (E_RNA) where: Base-Base interactions energy: -606.906 where: short stacking energy: -278.237 Base-Backbone interact. energy: -2.461 local terms energy: -332.605902 where: bonds (distance) C4'-P energy: -71.378 bonds (distance) P-C4' energy: -79.785 flat angles C4'-P-C4' energy: -70.179 flat angles P-C4'-P energy: -48.334 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -603.291229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.291229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.291229 (E_RNA) where: Base-Base interactions energy: -348.479 where: short stacking energy: -185.531 Base-Backbone interact. energy: 3.860 local terms energy: -258.672143 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -74.488 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: 0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1797.972582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.972582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.972582 (E_RNA) where: Base-Base interactions energy: -1245.299 where: short stacking energy: -551.827 Base-Backbone interact. energy: -1.766 local terms energy: -550.907604 where: bonds (distance) C4'-P energy: -96.013 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -74.355 tors. eta vs tors. theta energy: -167.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1672.379743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.379743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.379743 (E_RNA) where: Base-Base interactions energy: -1171.287 where: short stacking energy: -475.206 Base-Backbone interact. energy: -0.451 local terms energy: -500.641520 where: bonds (distance) C4'-P energy: -94.725 bonds (distance) P-C4' energy: -90.430 flat angles C4'-P-C4' energy: -112.187 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -134.782 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: 228 Temperature: 1.000000 Total energy: -1606.601452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.601452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.601452 (E_RNA) where: Base-Base interactions energy: -1117.907 where: short stacking energy: -458.719 Base-Backbone interact. energy: -4.930 local terms energy: -483.764760 where: bonds (distance) C4'-P energy: -97.774 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -112.002 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -122.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1495.410113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.410113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.410113 (E_RNA) where: Base-Base interactions energy: -1055.585 where: short stacking energy: -396.822 Base-Backbone interact. energy: -3.637 local terms energy: -436.188071 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -94.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1424.044016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.044016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.044016 (E_RNA) where: Base-Base interactions energy: -968.037 where: short stacking energy: -406.368 Base-Backbone interact. energy: -0.846 local terms energy: -455.161770 where: bonds (distance) C4'-P energy: -95.451 bonds (distance) P-C4' energy: -92.164 flat angles C4'-P-C4' energy: -99.163 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -96.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1442.829732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.829732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.829732 (E_RNA) where: Base-Base interactions energy: -986.529 where: short stacking energy: -437.551 Base-Backbone interact. energy: -1.805 local terms energy: -454.495706 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -103.531 flat angles P-C4'-P energy: -77.313 tors. eta vs tors. theta energy: -107.812 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: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1215.381800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.381800 (E_RNA) where: Base-Base interactions energy: -811.239 where: short stacking energy: -349.556 Base-Backbone interact. energy: -0.699 local terms energy: -403.443256 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -83.002 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -85.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1093.014392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.014392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.014392 (E_RNA) where: Base-Base interactions energy: -735.219 where: short stacking energy: -309.403 Base-Backbone interact. energy: 2.051 local terms energy: -359.846856 where: bonds (distance) C4'-P energy: -83.636 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -81.562 flat angles P-C4'-P energy: -54.094 tors. eta vs tors. theta energy: -65.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -923.526232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.526232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.526232 (E_RNA) where: Base-Base interactions energy: -601.546 where: short stacking energy: -268.824 Base-Backbone interact. energy: -1.960 local terms energy: -320.019897 where: bonds (distance) C4'-P energy: -63.359 bonds (distance) P-C4' energy: -96.646 flat angles C4'-P-C4' energy: -86.669 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -36.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -615.427822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.427822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.427822 (E_RNA) where: Base-Base interactions energy: -356.527 where: short stacking energy: -165.950 Base-Backbone interact. energy: -1.736 local terms energy: -257.164569 where: bonds (distance) C4'-P energy: -80.733 bonds (distance) P-C4' energy: -74.004 flat angles C4'-P-C4' energy: -70.973 flat angles P-C4'-P energy: -36.272 tors. eta vs tors. theta energy: 4.817 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: 229 Temperature: 0.900000 Total energy: -1805.054936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.054936 (E_RNA) where: Base-Base interactions energy: -1239.189 where: short stacking energy: -565.501 Base-Backbone interact. energy: -1.622 local terms energy: -564.243432 where: bonds (distance) C4'-P energy: -98.375 bonds (distance) P-C4' energy: -99.713 flat angles C4'-P-C4' energy: -116.373 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -167.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1625.495232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.495232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.495232 (E_RNA) where: Base-Base interactions energy: -1144.005 where: short stacking energy: -460.990 Base-Backbone interact. energy: -0.729 local terms energy: -480.761010 where: bonds (distance) C4'-P energy: -79.008 bonds (distance) P-C4' energy: -88.056 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -74.352 tors. eta vs tors. theta energy: -125.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1613.472705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.472705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.472705 (E_RNA) where: Base-Base interactions energy: -1113.473 where: short stacking energy: -448.963 Base-Backbone interact. energy: -2.511 local terms energy: -497.488181 where: bonds (distance) C4'-P energy: -96.681 bonds (distance) P-C4' energy: -104.243 flat angles C4'-P-C4' energy: -104.964 flat angles P-C4'-P energy: -62.712 tors. eta vs tors. theta energy: -128.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1531.180770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.180770 (E_RNA) where: Base-Base interactions energy: -1109.908 where: short stacking energy: -425.946 Base-Backbone interact. energy: -0.733 local terms energy: -420.539716 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -88.355 flat angles P-C4'-P energy: -61.162 tors. eta vs tors. theta energy: -92.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1412.508856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.508856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.508856 (E_RNA) where: Base-Base interactions energy: -943.727 where: short stacking energy: -418.458 Base-Backbone interact. energy: -1.382 local terms energy: -467.399498 where: bonds (distance) C4'-P energy: -84.733 bonds (distance) P-C4' energy: -91.735 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -116.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1430.373913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.373913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.373913 (E_RNA) where: Base-Base interactions energy: -1002.313 where: short stacking energy: -422.040 Base-Backbone interact. energy: -0.653 local terms energy: -427.407809 where: bonds (distance) C4'-P energy: -68.533 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -103.891 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -109.891 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: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1228.350680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.350680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.350680 (E_RNA) where: Base-Base interactions energy: -821.127 where: short stacking energy: -362.899 Base-Backbone interact. energy: 0.612 local terms energy: -407.835295 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -97.001 flat angles P-C4'-P energy: -56.986 tors. eta vs tors. theta energy: -86.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1129.599979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.599979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.599979 (E_RNA) where: Base-Base interactions energy: -769.527 where: short stacking energy: -348.817 Base-Backbone interact. energy: -2.141 local terms energy: -357.931827 where: bonds (distance) C4'-P energy: -71.022 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -81.219 flat angles P-C4'-P energy: -56.873 tors. eta vs tors. theta energy: -70.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -961.048426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.048426 (E_RNA) where: Base-Base interactions energy: -631.687 where: short stacking energy: -300.718 Base-Backbone interact. energy: -1.658 local terms energy: -327.703864 where: bonds (distance) C4'-P energy: -78.176 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -80.812 flat angles P-C4'-P energy: -61.150 tors. eta vs tors. theta energy: -44.149 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: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -668.242920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.242920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.242920 (E_RNA) where: Base-Base interactions energy: -369.942 where: short stacking energy: -188.690 Base-Backbone interact. energy: 2.135 local terms energy: -300.435640 where: bonds (distance) C4'-P energy: -80.189 bonds (distance) P-C4' energy: -88.102 flat angles C4'-P-C4' energy: -71.967 flat angles P-C4'-P energy: -45.110 tors. eta vs tors. theta energy: -15.067 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: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1789.258664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.258664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.258664 (E_RNA) where: Base-Base interactions energy: -1258.213 where: short stacking energy: -569.514 Base-Backbone interact. energy: -1.881 local terms energy: -529.164832 where: bonds (distance) C4'-P energy: -91.106 bonds (distance) P-C4' energy: -92.289 flat angles C4'-P-C4' energy: -106.240 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -161.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1646.939042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.939042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.939042 (E_RNA) where: Base-Base interactions energy: -1150.342 where: short stacking energy: -462.383 Base-Backbone interact. energy: -4.238 local terms energy: -492.358862 where: bonds (distance) C4'-P energy: -101.014 bonds (distance) P-C4' energy: -92.109 flat angles C4'-P-C4' energy: -99.844 flat angles P-C4'-P energy: -79.162 tors. eta vs tors. theta energy: -120.231 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: 230 Temperature: 1.000000 Total energy: -1621.271523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.271523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.271523 (E_RNA) where: Base-Base interactions energy: -1143.394 where: short stacking energy: -438.032 Base-Backbone interact. energy: -3.220 local terms energy: -474.657628 where: bonds (distance) C4'-P energy: -87.937 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: -117.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1522.254556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.254556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.254556 (E_RNA) where: Base-Base interactions energy: -1098.134 where: short stacking energy: -409.229 Base-Backbone interact. energy: -0.019 local terms energy: -424.102049 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -104.121 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -93.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1482.358601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.358601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.358601 (E_RNA) where: Base-Base interactions energy: -994.720 where: short stacking energy: -441.287 Base-Backbone interact. energy: -0.481 local terms energy: -487.157693 where: bonds (distance) C4'-P energy: -92.506 bonds (distance) P-C4' energy: -103.521 flat angles C4'-P-C4' energy: -98.056 flat angles P-C4'-P energy: -66.676 tors. eta vs tors. theta energy: -126.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1371.413169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.413169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.413169 (E_RNA) where: Base-Base interactions energy: -948.870 where: short stacking energy: -397.647 Base-Backbone interact. energy: -2.196 local terms energy: -420.347145 where: bonds (distance) C4'-P energy: -70.655 bonds (distance) P-C4' energy: -93.569 flat angles C4'-P-C4' energy: -90.865 flat angles P-C4'-P energy: -59.683 tors. eta vs tors. theta energy: -105.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1141.641358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.641358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.641358 (E_RNA) where: Base-Base interactions energy: -776.627 where: short stacking energy: -341.730 Base-Backbone interact. energy: 1.230 local terms energy: -366.244252 where: bonds (distance) C4'-P energy: -85.433 bonds (distance) P-C4' energy: -73.578 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -73.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1088.214891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.214891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.214891 (E_RNA) where: Base-Base interactions energy: -716.173 where: short stacking energy: -307.776 Base-Backbone interact. energy: 3.052 local terms energy: -375.094568 where: bonds (distance) C4'-P energy: -95.458 bonds (distance) P-C4' energy: -93.364 flat angles C4'-P-C4' energy: -98.306 flat angles P-C4'-P energy: -39.410 tors. eta vs tors. theta energy: -48.557 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: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -958.342417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.342417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.342417 (E_RNA) where: Base-Base interactions energy: -587.070 where: short stacking energy: -271.844 Base-Backbone interact. energy: 0.325 local terms energy: -371.597860 where: bonds (distance) C4'-P energy: -76.307 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -81.171 flat angles P-C4'-P energy: -74.237 tors. eta vs tors. theta energy: -54.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -621.915214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.915214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.915214 (E_RNA) where: Base-Base interactions energy: -331.268 where: short stacking energy: -176.774 Base-Backbone interact. energy: -1.779 local terms energy: -288.868802 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -10.570 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: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1781.319753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.319753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.319753 (E_RNA) where: Base-Base interactions energy: -1238.302 where: short stacking energy: -556.011 Base-Backbone interact. energy: 0.144 local terms energy: -543.161934 where: bonds (distance) C4'-P energy: -94.300 bonds (distance) P-C4' energy: -89.921 flat angles C4'-P-C4' energy: -113.137 flat angles P-C4'-P energy: -79.658 tors. eta vs tors. theta energy: -166.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1678.299940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.299940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.299940 (E_RNA) where: Base-Base interactions energy: -1182.391 where: short stacking energy: -474.583 Base-Backbone interact. energy: -1.628 local terms energy: -494.281117 where: bonds (distance) C4'-P energy: -98.730 bonds (distance) P-C4' energy: -93.584 flat angles C4'-P-C4' energy: -105.173 flat angles P-C4'-P energy: -65.510 tors. eta vs tors. theta energy: -131.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1602.402494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.402494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.402494 (E_RNA) where: Base-Base interactions energy: -1116.223 where: short stacking energy: -446.765 Base-Backbone interact. energy: -2.898 local terms energy: -483.281336 where: bonds (distance) C4'-P energy: -90.638 bonds (distance) P-C4' energy: -92.319 flat angles C4'-P-C4' energy: -103.665 flat angles P-C4'-P energy: -69.509 tors. eta vs tors. theta energy: -127.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1491.402264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.402264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.402264 (E_RNA) where: Base-Base interactions energy: -1077.254 where: short stacking energy: -404.461 Base-Backbone interact. energy: -4.341 local terms energy: -409.806529 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -84.470 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1509.895858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.895858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.895858 (E_RNA) where: Base-Base interactions energy: -1010.716 where: short stacking energy: -455.470 Base-Backbone interact. energy: -0.504 local terms energy: -498.675509 where: bonds (distance) C4'-P energy: -84.884 bonds (distance) P-C4' energy: -99.574 flat angles C4'-P-C4' energy: -110.305 flat angles P-C4'-P energy: -70.023 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: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1356.045030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.045030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.045030 (E_RNA) where: Base-Base interactions energy: -937.638 where: short stacking energy: -407.703 Base-Backbone interact. energy: -1.677 local terms energy: -416.729931 where: bonds (distance) C4'-P energy: -75.969 bonds (distance) P-C4' energy: -95.487 flat angles C4'-P-C4' energy: -101.341 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -105.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1232.303832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.303832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.303832 (E_RNA) where: Base-Base interactions energy: -827.190 where: short stacking energy: -352.513 Base-Backbone interact. energy: -0.047 local terms energy: -405.067243 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -94.615 flat angles P-C4'-P energy: -58.557 tors. eta vs tors. theta energy: -97.307 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: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1087.268954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.268954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.268954 (E_RNA) where: Base-Base interactions energy: -727.941 where: short stacking energy: -325.805 Base-Backbone interact. energy: 1.681 local terms energy: -361.009084 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -90.015 flat angles C4'-P-C4' energy: -95.097 flat angles P-C4'-P energy: -36.709 tors. eta vs tors. theta energy: -69.163 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: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -996.404014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.404014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.404014 (E_RNA) where: Base-Base interactions energy: -639.536 where: short stacking energy: -281.894 Base-Backbone interact. energy: 3.442 local terms energy: -360.309849 where: bonds (distance) C4'-P energy: -86.597 bonds (distance) P-C4' energy: -73.488 flat angles C4'-P-C4' energy: -81.745 flat angles P-C4'-P energy: -54.917 tors. eta vs tors. theta energy: -63.563 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: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -713.637874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.637874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.637874 (E_RNA) where: Base-Base interactions energy: -438.307 where: short stacking energy: -201.998 Base-Backbone interact. energy: 0.832 local terms energy: -276.163692 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -56.881 flat angles C4'-P-C4' energy: -71.808 flat angles P-C4'-P energy: -38.547 tors. eta vs tors. theta energy: -28.729 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: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1794.682389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.682389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.682389 (E_RNA) where: Base-Base interactions energy: -1250.001 where: short stacking energy: -568.422 Base-Backbone interact. energy: -1.780 local terms energy: -542.902067 where: bonds (distance) C4'-P energy: -81.521 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -75.208 tors. eta vs tors. theta energy: -166.798 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: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1671.545413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.545413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.545413 (E_RNA) where: Base-Base interactions energy: -1174.919 where: short stacking energy: -473.945 Base-Backbone interact. energy: -0.156 local terms energy: -496.469957 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -86.020 flat angles C4'-P-C4' energy: -112.462 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: -134.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1617.370616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.370616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.370616 (E_RNA) where: Base-Base interactions energy: -1127.918 where: short stacking energy: -454.598 Base-Backbone interact. energy: -3.115 local terms energy: -486.337343 where: bonds (distance) C4'-P energy: -94.379 bonds (distance) P-C4' energy: -99.768 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -77.141 tors. eta vs tors. theta energy: -114.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1510.245471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.245471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.245471 (E_RNA) where: Base-Base interactions energy: -1068.754 where: short stacking energy: -404.479 Base-Backbone interact. energy: -5.391 local terms energy: -436.100581 where: bonds (distance) C4'-P energy: -94.821 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -109.793 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1522.134366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.134366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.134366 (E_RNA) where: Base-Base interactions energy: -1053.655 where: short stacking energy: -461.973 Base-Backbone interact. energy: -2.282 local terms energy: -466.197476 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -83.528 flat angles C4'-P-C4' energy: -101.432 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -136.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1331.305877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.305877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.305877 (E_RNA) where: Base-Base interactions energy: -902.434 where: short stacking energy: -393.338 Base-Backbone interact. energy: 2.160 local terms energy: -431.032286 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -105.230 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: -100.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1238.401560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.401560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.401560 (E_RNA) where: Base-Base interactions energy: -817.527 where: short stacking energy: -370.881 Base-Backbone interact. energy: -0.602 local terms energy: -420.272798 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -96.505 flat angles C4'-P-C4' energy: -92.486 flat angles P-C4'-P energy: -61.142 tors. eta vs tors. theta energy: -88.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1098.291302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.291302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.291302 (E_RNA) where: Base-Base interactions energy: -721.892 where: short stacking energy: -308.229 Base-Backbone interact. energy: -0.825 local terms energy: -375.574679 where: bonds (distance) C4'-P energy: -89.263 bonds (distance) P-C4' energy: -63.100 flat angles C4'-P-C4' energy: -91.938 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -72.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -912.702693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.702693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.702693 (E_RNA) where: Base-Base interactions energy: -580.603 where: short stacking energy: -269.359 Base-Backbone interact. energy: 4.185 local terms energy: -336.284848 where: bonds (distance) C4'-P energy: -83.763 bonds (distance) P-C4' energy: -91.760 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -39.075 tors. eta vs tors. theta energy: -47.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -667.782014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.782014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.782014 (E_RNA) where: Base-Base interactions energy: -384.378 where: short stacking energy: -192.400 Base-Backbone interact. energy: 10.243 local terms energy: -293.646709 where: bonds (distance) C4'-P energy: -77.419 bonds (distance) P-C4' energy: -87.767 flat angles C4'-P-C4' energy: -82.733 flat angles P-C4'-P energy: -32.280 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1777.883298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.883298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.883298 (E_RNA) where: Base-Base interactions energy: -1216.698 where: short stacking energy: -551.637 Base-Backbone interact. energy: -0.784 local terms energy: -560.400533 where: bonds (distance) C4'-P energy: -99.435 bonds (distance) P-C4' energy: -104.168 flat angles C4'-P-C4' energy: -113.605 flat angles P-C4'-P energy: -77.997 tors. eta vs tors. theta energy: -165.196 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: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1677.664533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.664533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.664533 (E_RNA) where: Base-Base interactions energy: -1167.921 where: short stacking energy: -471.490 Base-Backbone interact. energy: 2.275 local terms energy: -512.018752 where: bonds (distance) C4'-P energy: -100.167 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -107.072 flat angles P-C4'-P energy: -70.422 tors. eta vs tors. theta energy: -124.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1649.601385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.601385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.601385 (E_RNA) where: Base-Base interactions energy: -1135.909 where: short stacking energy: -467.527 Base-Backbone interact. energy: -1.654 local terms energy: -512.038080 where: bonds (distance) C4'-P energy: -97.023 bonds (distance) P-C4' energy: -101.866 flat angles C4'-P-C4' energy: -111.063 flat angles P-C4'-P energy: -71.804 tors. eta vs tors. theta energy: -130.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1582.413268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.413268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.413268 (E_RNA) where: Base-Base interactions energy: -1106.780 where: short stacking energy: -463.537 Base-Backbone interact. energy: -1.625 local terms energy: -474.008427 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -66.514 tors. eta vs tors. theta energy: -130.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1496.256543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.256543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.256543 (E_RNA) where: Base-Base interactions energy: -1056.270 where: short stacking energy: -419.332 Base-Backbone interact. energy: -2.327 local terms energy: -437.658796 where: bonds (distance) C4'-P energy: -79.800 bonds (distance) P-C4' energy: -90.373 flat angles C4'-P-C4' energy: -101.500 flat angles P-C4'-P energy: -65.526 tors. eta vs tors. theta energy: -100.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1321.673101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.673101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.673101 (E_RNA) where: Base-Base interactions energy: -883.982 where: short stacking energy: -372.839 Base-Backbone interact. energy: -2.312 local terms energy: -435.378692 where: bonds (distance) C4'-P energy: -88.737 bonds (distance) P-C4' energy: -80.390 flat angles C4'-P-C4' energy: -96.404 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -101.531 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: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1207.506392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.506392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.506392 (E_RNA) where: Base-Base interactions energy: -799.430 where: short stacking energy: -342.588 Base-Backbone interact. energy: 3.320 local terms energy: -411.396409 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -88.566 flat angles C4'-P-C4' energy: -90.490 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -84.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1000.578214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.578214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.578214 (E_RNA) where: Base-Base interactions energy: -606.855 where: short stacking energy: -298.192 Base-Backbone interact. energy: -1.735 local terms energy: -391.987844 where: bonds (distance) C4'-P energy: -90.233 bonds (distance) P-C4' energy: -98.366 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -64.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1057.082016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.082016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.082016 (E_RNA) where: Base-Base interactions energy: -700.130 where: short stacking energy: -306.417 Base-Backbone interact. energy: 0.299 local terms energy: -357.251171 where: bonds (distance) C4'-P energy: -95.980 bonds (distance) P-C4' energy: -79.528 flat angles C4'-P-C4' energy: -80.811 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -58.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -636.129313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.129313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.129313 (E_RNA) where: Base-Base interactions energy: -359.028 where: short stacking energy: -189.665 Base-Backbone interact. energy: 4.307 local terms energy: -281.408310 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -42.137 tors. eta vs tors. theta energy: -12.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1771.827522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.827522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.827522 (E_RNA) where: Base-Base interactions energy: -1239.379 where: short stacking energy: -541.535 Base-Backbone interact. energy: -1.406 local terms energy: -531.042174 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: -160.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1644.766497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.766497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.766497 (E_RNA) where: Base-Base interactions energy: -1116.520 where: short stacking energy: -480.021 Base-Backbone interact. energy: -2.589 local terms energy: -525.657886 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -110.791 flat angles C4'-P-C4' energy: -109.278 flat angles P-C4'-P energy: -72.519 tors. eta vs tors. theta energy: -134.487 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: 234 Temperature: 1.000000 Total energy: -1671.000020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.000020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.000020 (E_RNA) where: Base-Base interactions energy: -1159.512 where: short stacking energy: -470.153 Base-Backbone interact. energy: -3.436 local terms energy: -508.052758 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -97.527 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -129.833 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: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1591.474621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.474621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.474621 (E_RNA) where: Base-Base interactions energy: -1098.977 where: short stacking energy: -496.786 Base-Backbone interact. energy: -1.310 local terms energy: -491.187668 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -141.041 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: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1520.363040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.363040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.363040 (E_RNA) where: Base-Base interactions energy: -1088.995 where: short stacking energy: -428.650 Base-Backbone interact. energy: 0.400 local terms energy: -431.768208 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -88.499 flat angles C4'-P-C4' energy: -110.310 flat angles P-C4'-P energy: -55.096 tors. eta vs tors. theta energy: -105.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1333.178807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.178807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.178807 (E_RNA) where: Base-Base interactions energy: -924.012 where: short stacking energy: -401.676 Base-Backbone interact. energy: 0.727 local terms energy: -409.893983 where: bonds (distance) C4'-P energy: -79.122 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -98.430 flat angles P-C4'-P energy: -56.458 tors. eta vs tors. theta energy: -92.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1216.662802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.662802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.662802 (E_RNA) where: Base-Base interactions energy: -809.938 where: short stacking energy: -339.418 Base-Backbone interact. energy: 1.044 local terms energy: -407.768773 where: bonds (distance) C4'-P energy: -88.583 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -44.559 tors. eta vs tors. theta energy: -80.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -971.918398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.918398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.918398 (E_RNA) where: Base-Base interactions energy: -599.926 where: short stacking energy: -277.053 Base-Backbone interact. energy: -0.878 local terms energy: -371.114910 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -87.516 flat angles P-C4'-P energy: -55.589 tors. eta vs tors. theta energy: -62.520 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1012.111805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.111805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.111805 (E_RNA) where: Base-Base interactions energy: -669.285 where: short stacking energy: -285.519 Base-Backbone interact. energy: 0.112 local terms energy: -342.939188 where: bonds (distance) C4'-P energy: -66.727 bonds (distance) P-C4' energy: -90.168 flat angles C4'-P-C4' energy: -74.589 flat angles P-C4'-P energy: -54.332 tors. eta vs tors. theta energy: -57.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -648.463422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.463422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.463422 (E_RNA) where: Base-Base interactions energy: -367.954 where: short stacking energy: -198.357 Base-Backbone interact. energy: -1.617 local terms energy: -278.892724 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -81.377 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: -9.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1784.146363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.146363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.146363 (E_RNA) where: Base-Base interactions energy: -1234.261 where: short stacking energy: -556.404 Base-Backbone interact. energy: -1.458 local terms energy: -548.427646 where: bonds (distance) C4'-P energy: -93.607 bonds (distance) P-C4' energy: -93.618 flat angles C4'-P-C4' energy: -112.055 flat angles P-C4'-P energy: -81.099 tors. eta vs tors. theta energy: -168.049 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: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1699.018304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.018304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.018304 (E_RNA) where: Base-Base interactions energy: -1162.275 where: short stacking energy: -477.740 Base-Backbone interact. energy: -5.156 local terms energy: -531.587796 where: bonds (distance) C4'-P energy: -94.772 bonds (distance) P-C4' energy: -103.630 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -80.669 tors. eta vs tors. theta energy: -141.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1611.804600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.804600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.804600 (E_RNA) where: Base-Base interactions energy: -1120.073 where: short stacking energy: -489.631 Base-Backbone interact. energy: -3.331 local terms energy: -488.399919 where: bonds (distance) C4'-P energy: -91.476 bonds (distance) P-C4' energy: -99.597 flat angles C4'-P-C4' energy: -105.644 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -129.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1529.499822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.499822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.499822 (E_RNA) where: Base-Base interactions energy: -1083.881 where: short stacking energy: -409.541 Base-Backbone interact. energy: 1.587 local terms energy: -447.205984 where: bonds (distance) C4'-P energy: -93.806 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -108.027 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -100.399 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: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1561.122687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.122687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.122687 (E_RNA) where: Base-Base interactions energy: -1077.757 where: short stacking energy: -470.353 Base-Backbone interact. energy: -4.734 local terms energy: -478.631437 where: bonds (distance) C4'-P energy: -95.948 bonds (distance) P-C4' energy: -91.062 flat angles C4'-P-C4' energy: -94.273 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -137.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1330.950843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.950843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.950843 (E_RNA) where: Base-Base interactions energy: -910.003 where: short stacking energy: -389.902 Base-Backbone interact. energy: 0.016 local terms energy: -420.963797 where: bonds (distance) C4'-P energy: -83.945 bonds (distance) P-C4' energy: -75.124 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -91.742 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: 235 Temperature: 1.200000 Total energy: -1214.753460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.753460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.753460 (E_RNA) where: Base-Base interactions energy: -800.181 where: short stacking energy: -330.633 Base-Backbone interact. energy: -2.378 local terms energy: -412.194973 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -93.634 flat angles C4'-P-C4' energy: -80.606 flat angles P-C4'-P energy: -67.796 tors. eta vs tors. theta energy: -92.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1100.444172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.444172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.444172 (E_RNA) where: Base-Base interactions energy: -717.037 where: short stacking energy: -331.703 Base-Backbone interact. energy: 0.762 local terms energy: -384.169502 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -96.009 flat angles C4'-P-C4' energy: -87.385 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -74.904 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -976.837404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.837404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.837404 (E_RNA) where: Base-Base interactions energy: -615.845 where: short stacking energy: -280.153 Base-Backbone interact. energy: -1.202 local terms energy: -359.791309 where: bonds (distance) C4'-P energy: -83.762 bonds (distance) P-C4' energy: -100.015 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -51.873 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: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -628.761527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.761527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.761527 (E_RNA) where: Base-Base interactions energy: -361.323 where: short stacking energy: -185.919 Base-Backbone interact. energy: -1.237 local terms energy: -266.201763 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -82.411 flat angles C4'-P-C4' energy: -73.066 flat angles P-C4'-P energy: -37.488 tors. eta vs tors. theta energy: -8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1772.276939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.276939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.276939 (E_RNA) where: Base-Base interactions energy: -1224.863 where: short stacking energy: -554.637 Base-Backbone interact. energy: -2.192 local terms energy: -545.221720 where: bonds (distance) C4'-P energy: -98.246 bonds (distance) P-C4' energy: -85.887 flat angles C4'-P-C4' energy: -116.680 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -163.658 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: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1667.074638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.074638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.074638 (E_RNA) where: Base-Base interactions energy: -1155.891 where: short stacking energy: -470.591 Base-Backbone interact. energy: -5.992 local terms energy: -505.191373 where: bonds (distance) C4'-P energy: -88.233 bonds (distance) P-C4' energy: -104.491 flat angles C4'-P-C4' energy: -104.657 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -136.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1577.608314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.608314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.608314 (E_RNA) where: Base-Base interactions energy: -1138.092 where: short stacking energy: -463.322 Base-Backbone interact. energy: 5.557 local terms energy: -445.073192 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -99.745 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -113.487 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: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1573.271943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.271943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.271943 (E_RNA) where: Base-Base interactions energy: -1107.998 where: short stacking energy: -445.470 Base-Backbone interact. energy: 2.877 local terms energy: -468.151238 where: bonds (distance) C4'-P energy: -94.274 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -102.369 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -113.982 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: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1554.645298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.645298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.645298 (E_RNA) where: Base-Base interactions energy: -1066.051 where: short stacking energy: -469.075 Base-Backbone interact. energy: -0.155 local terms energy: -488.438933 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -111.837 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -140.642 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: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1336.092496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.092496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.092496 (E_RNA) where: Base-Base interactions energy: -929.232 where: short stacking energy: -405.746 Base-Backbone interact. energy: -1.343 local terms energy: -405.518257 where: bonds (distance) C4'-P energy: -93.387 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -91.936 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -103.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1216.887626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.887626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.887626 (E_RNA) where: Base-Base interactions energy: -787.612 where: short stacking energy: -336.591 Base-Backbone interact. energy: -3.700 local terms energy: -425.576000 where: bonds (distance) C4'-P energy: -82.444 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -91.968 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: -92.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1105.308994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.308994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.308994 (E_RNA) where: Base-Base interactions energy: -750.076 where: short stacking energy: -339.555 Base-Backbone interact. energy: -2.405 local terms energy: -352.828224 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -94.991 flat angles P-C4'-P energy: -49.910 tors. eta vs tors. theta energy: -70.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -960.252815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.252815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.252815 (E_RNA) where: Base-Base interactions energy: -619.972 where: short stacking energy: -265.106 Base-Backbone interact. energy: -2.654 local terms energy: -337.626667 where: bonds (distance) C4'-P energy: -67.337 bonds (distance) P-C4' energy: -85.115 flat angles C4'-P-C4' energy: -80.528 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -48.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -654.764259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.764259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.764259 (E_RNA) where: Base-Base interactions energy: -366.682 where: short stacking energy: -172.819 Base-Backbone interact. energy: 3.893 local terms energy: -291.975121 where: bonds (distance) C4'-P energy: -69.987 bonds (distance) P-C4' energy: -88.459 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -49.913 tors. eta vs tors. theta energy: -12.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1816.849309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.849309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.849309 (E_RNA) where: Base-Base interactions energy: -1250.511 where: short stacking energy: -578.618 Base-Backbone interact. energy: 0.781 local terms energy: -567.119872 where: bonds (distance) C4'-P energy: -86.720 bonds (distance) P-C4' energy: -106.154 flat angles C4'-P-C4' energy: -115.029 flat angles P-C4'-P energy: -85.041 tors. eta vs tors. theta energy: -174.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1665.530078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.530078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.530078 (E_RNA) where: Base-Base interactions energy: -1163.927 where: short stacking energy: -492.930 Base-Backbone interact. energy: -1.845 local terms energy: -499.757965 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -138.549 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: 3, replica: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1584.620141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.620141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.620141 (E_RNA) where: Base-Base interactions energy: -1125.638 where: short stacking energy: -438.030 Base-Backbone interact. energy: -2.696 local terms energy: -456.286454 where: bonds (distance) C4'-P energy: -84.875 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -60.686 tors. eta vs tors. theta energy: -111.636 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: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1576.400892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.400892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.400892 (E_RNA) where: Base-Base interactions energy: -1100.080 where: short stacking energy: -452.056 Base-Backbone interact. energy: -3.121 local terms energy: -473.199784 where: bonds (distance) C4'-P energy: -91.715 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -99.933 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -119.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1529.385367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.385367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.385367 (E_RNA) where: Base-Base interactions energy: -1075.603 where: short stacking energy: -449.698 Base-Backbone interact. energy: 0.258 local terms energy: -454.040304 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -81.470 flat angles C4'-P-C4' energy: -90.415 flat angles P-C4'-P energy: -79.813 tors. eta vs tors. theta energy: -128.980 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: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1308.208204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.208204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.208204 (E_RNA) where: Base-Base interactions energy: -903.293 where: short stacking energy: -385.903 Base-Backbone interact. energy: 2.746 local terms energy: -407.661348 where: bonds (distance) C4'-P energy: -81.628 bonds (distance) P-C4' energy: -93.902 flat angles C4'-P-C4' energy: -90.196 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -95.566 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: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1253.803835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.803835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.803835 (E_RNA) where: Base-Base interactions energy: -850.487 where: short stacking energy: -364.585 Base-Backbone interact. energy: -2.670 local terms energy: -400.646857 where: bonds (distance) C4'-P energy: -73.134 bonds (distance) P-C4' energy: -84.705 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: -86.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1080.214176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.214176 (E_RNA) where: Base-Base interactions energy: -729.527 where: short stacking energy: -312.233 Base-Backbone interact. energy: -1.397 local terms energy: -349.290034 where: bonds (distance) C4'-P energy: -78.212 bonds (distance) P-C4' energy: -71.819 flat angles C4'-P-C4' energy: -89.219 flat angles P-C4'-P energy: -48.365 tors. eta vs tors. theta energy: -61.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -958.379468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.379468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.379468 (E_RNA) where: Base-Base interactions energy: -598.050 where: short stacking energy: -275.228 Base-Backbone interact. energy: -2.884 local terms energy: -357.445943 where: bonds (distance) C4'-P energy: -104.616 bonds (distance) P-C4' energy: -65.123 flat angles C4'-P-C4' energy: -80.805 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -55.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -663.773360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.773360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.773360 (E_RNA) where: Base-Base interactions energy: -368.484 where: short stacking energy: -176.736 Base-Backbone interact. energy: 0.423 local terms energy: -295.712273 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -73.315 flat angles C4'-P-C4' energy: -70.635 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -11.846 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1808.190334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.190334 (E_RNA) where: Base-Base interactions energy: -1261.923 where: short stacking energy: -553.800 Base-Backbone interact. energy: 1.208 local terms energy: -547.475013 where: bonds (distance) C4'-P energy: -89.594 bonds (distance) P-C4' energy: -104.659 flat angles C4'-P-C4' energy: -113.960 flat angles P-C4'-P energy: -75.320 tors. eta vs tors. theta energy: -163.942 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: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1709.623749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.623749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.623749 (E_RNA) where: Base-Base interactions energy: -1207.820 where: short stacking energy: -473.035 Base-Backbone interact. energy: -6.167 local terms energy: -495.636249 where: bonds (distance) C4'-P energy: -96.746 bonds (distance) P-C4' energy: -95.306 flat angles C4'-P-C4' energy: -96.924 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -133.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1611.832899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.832899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.832899 (E_RNA) where: Base-Base interactions energy: -1133.370 where: short stacking energy: -474.561 Base-Backbone interact. energy: -2.363 local terms energy: -476.100072 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -90.181 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -78.427 tors. eta vs tors. theta energy: -131.826 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: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1527.741503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.741503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.741503 (E_RNA) where: Base-Base interactions energy: -1059.752 where: short stacking energy: -427.402 Base-Backbone interact. energy: 0.756 local terms energy: -468.745676 where: bonds (distance) C4'-P energy: -99.703 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -99.773 flat angles P-C4'-P energy: -63.698 tors. eta vs tors. theta energy: -111.464 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: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1516.405518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.405518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.405518 (E_RNA) where: Base-Base interactions energy: -1064.258 where: short stacking energy: -455.818 Base-Backbone interact. energy: -1.829 local terms energy: -450.318779 where: bonds (distance) C4'-P energy: -89.870 bonds (distance) P-C4' energy: -75.508 flat angles C4'-P-C4' energy: -94.447 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: -128.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1282.758772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.758772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.758772 (E_RNA) where: Base-Base interactions energy: -851.236 where: short stacking energy: -374.218 Base-Backbone interact. energy: -1.935 local terms energy: -429.587252 where: bonds (distance) C4'-P energy: -86.020 bonds (distance) P-C4' energy: -79.231 flat angles C4'-P-C4' energy: -94.137 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -105.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1230.824977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.824977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.824977 (E_RNA) where: Base-Base interactions energy: -821.454 where: short stacking energy: -352.327 Base-Backbone interact. energy: -2.375 local terms energy: -406.995160 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -89.857 flat angles C4'-P-C4' energy: -93.435 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -87.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1085.564001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.564001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.564001 (E_RNA) where: Base-Base interactions energy: -709.567 where: short stacking energy: -317.641 Base-Backbone interact. energy: -2.126 local terms energy: -373.870617 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -77.135 flat angles C4'-P-C4' energy: -85.808 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -75.264 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -955.201383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.201383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.201383 (E_RNA) where: Base-Base interactions energy: -606.501 where: short stacking energy: -289.299 Base-Backbone interact. energy: -2.225 local terms energy: -346.474595 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -77.099 flat angles C4'-P-C4' energy: -78.753 flat angles P-C4'-P energy: -47.731 tors. eta vs tors. theta energy: -60.717 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: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -656.862697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.862697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.862697 (E_RNA) where: Base-Base interactions energy: -353.800 where: short stacking energy: -155.151 Base-Backbone interact. energy: 1.514 local terms energy: -304.577063 where: bonds (distance) C4'-P energy: -79.605 bonds (distance) P-C4' energy: -88.475 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1790.594364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.594364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.594364 (E_RNA) where: Base-Base interactions energy: -1241.599 where: short stacking energy: -553.237 Base-Backbone interact. energy: 0.553 local terms energy: -549.548143 where: bonds (distance) C4'-P energy: -97.663 bonds (distance) P-C4' energy: -92.973 flat angles C4'-P-C4' energy: -119.372 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -161.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1702.903011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.903011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.903011 (E_RNA) where: Base-Base interactions energy: -1169.823 where: short stacking energy: -469.897 Base-Backbone interact. energy: -6.800 local terms energy: -526.280053 where: bonds (distance) C4'-P energy: -102.695 bonds (distance) P-C4' energy: -100.772 flat angles C4'-P-C4' energy: -106.721 flat angles P-C4'-P energy: -79.140 tors. eta vs tors. theta energy: -136.951 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: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1613.221972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.221972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.221972 (E_RNA) where: Base-Base interactions energy: -1139.100 where: short stacking energy: -483.305 Base-Backbone interact. energy: -2.483 local terms energy: -471.638769 where: bonds (distance) C4'-P energy: -75.368 bonds (distance) P-C4' energy: -94.303 flat angles C4'-P-C4' energy: -103.265 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -134.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1546.684938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.684938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.684938 (E_RNA) where: Base-Base interactions energy: -1052.149 where: short stacking energy: -456.640 Base-Backbone interact. energy: -2.233 local terms energy: -492.302562 where: bonds (distance) C4'-P energy: -93.184 bonds (distance) P-C4' energy: -95.149 flat angles C4'-P-C4' energy: -106.797 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -136.305 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1476.412195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.412195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.412195 (E_RNA) where: Base-Base interactions energy: -1032.748 where: short stacking energy: -384.194 Base-Backbone interact. energy: -4.110 local terms energy: -439.554141 where: bonds (distance) C4'-P energy: -84.786 bonds (distance) P-C4' energy: -95.961 flat angles C4'-P-C4' energy: -99.457 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: -95.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1269.266977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.266977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.266977 (E_RNA) where: Base-Base interactions energy: -846.654 where: short stacking energy: -368.468 Base-Backbone interact. energy: -4.291 local terms energy: -418.321471 where: bonds (distance) C4'-P energy: -80.730 bonds (distance) P-C4' energy: -90.034 flat angles C4'-P-C4' energy: -101.700 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -83.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1169.646016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.646016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.646016 (E_RNA) where: Base-Base interactions energy: -802.024 where: short stacking energy: -346.853 Base-Backbone interact. energy: -0.394 local terms energy: -367.227595 where: bonds (distance) C4'-P energy: -72.718 bonds (distance) P-C4' energy: -67.509 flat angles C4'-P-C4' energy: -88.435 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -80.577 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: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1011.903556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.903556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.903556 (E_RNA) where: Base-Base interactions energy: -661.953 where: short stacking energy: -302.891 Base-Backbone interact. energy: -1.273 local terms energy: -348.677523 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -80.800 flat angles C4'-P-C4' energy: -79.472 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -58.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -971.033152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.033152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.033152 (E_RNA) where: Base-Base interactions energy: -610.862 where: short stacking energy: -284.953 Base-Backbone interact. energy: -2.385 local terms energy: -357.785602 where: bonds (distance) C4'-P energy: -78.105 bonds (distance) P-C4' energy: -86.241 flat angles C4'-P-C4' energy: -88.807 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -50.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -656.827593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.827593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.827593 (E_RNA) where: Base-Base interactions energy: -358.740 where: short stacking energy: -182.439 Base-Backbone interact. energy: 0.641 local terms energy: -298.728497 where: bonds (distance) C4'-P energy: -71.248 bonds (distance) P-C4' energy: -87.798 flat angles C4'-P-C4' energy: -59.617 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -23.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1783.751178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.751178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.751178 (E_RNA) where: Base-Base interactions energy: -1226.034 where: short stacking energy: -541.170 Base-Backbone interact. energy: -1.665 local terms energy: -556.051681 where: bonds (distance) C4'-P energy: -89.950 bonds (distance) P-C4' energy: -105.120 flat angles C4'-P-C4' energy: -120.924 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -158.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1665.940188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.940188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.940188 (E_RNA) where: Base-Base interactions energy: -1180.057 where: short stacking energy: -470.961 Base-Backbone interact. energy: -7.196 local terms energy: -478.687249 where: bonds (distance) C4'-P energy: -93.536 bonds (distance) P-C4' energy: -87.382 flat angles C4'-P-C4' energy: -106.197 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: -128.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1605.898778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.898778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.898778 (E_RNA) where: Base-Base interactions energy: -1123.397 where: short stacking energy: -488.459 Base-Backbone interact. energy: 5.727 local terms energy: -488.228533 where: bonds (distance) C4'-P energy: -83.376 bonds (distance) P-C4' energy: -101.629 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -134.730 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: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1530.414239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.414239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.414239 (E_RNA) where: Base-Base interactions energy: -1063.659 where: short stacking energy: -443.949 Base-Backbone interact. energy: -1.984 local terms energy: -464.771722 where: bonds (distance) C4'-P energy: -83.293 bonds (distance) P-C4' energy: -92.373 flat angles C4'-P-C4' energy: -97.963 flat angles P-C4'-P energy: -71.982 tors. eta vs tors. theta energy: -119.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1454.883217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.883217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.883217 (E_RNA) where: Base-Base interactions energy: -1041.857 where: short stacking energy: -404.760 Base-Backbone interact. energy: 1.912 local terms energy: -414.938277 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -87.873 flat angles C4'-P-C4' energy: -81.579 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -94.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1253.205298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.205298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.205298 (E_RNA) where: Base-Base interactions energy: -869.481 where: short stacking energy: -362.822 Base-Backbone interact. energy: -2.579 local terms energy: -381.146124 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -87.720 flat angles C4'-P-C4' energy: -92.531 flat angles P-C4'-P energy: -45.072 tors. eta vs tors. theta energy: -77.337 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1231.236441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.236441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.236441 (E_RNA) where: Base-Base interactions energy: -845.116 where: short stacking energy: -355.011 Base-Backbone interact. energy: 1.678 local terms energy: -387.799035 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -83.614 flat angles C4'-P-C4' energy: -93.439 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -73.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -958.065176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.065176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.065176 (E_RNA) where: Base-Base interactions energy: -607.822 where: short stacking energy: -268.140 Base-Backbone interact. energy: -1.280 local terms energy: -348.963593 where: bonds (distance) C4'-P energy: -87.378 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: -64.856 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -977.836833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.836833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.836833 (E_RNA) where: Base-Base interactions energy: -629.512 where: short stacking energy: -290.280 Base-Backbone interact. energy: 2.868 local terms energy: -351.192956 where: bonds (distance) C4'-P energy: -72.250 bonds (distance) P-C4' energy: -90.875 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -45.228 tors. eta vs tors. theta energy: -65.982 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: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -706.718635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.718635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.718635 (E_RNA) where: Base-Base interactions energy: -400.066 where: short stacking energy: -223.638 Base-Backbone interact. energy: -0.653 local terms energy: -305.999897 where: bonds (distance) C4'-P energy: -68.073 bonds (distance) P-C4' energy: -67.581 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -51.173 tors. eta vs tors. theta energy: -51.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1775.576020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.576020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.576020 (E_RNA) where: Base-Base interactions energy: -1240.779 where: short stacking energy: -559.310 Base-Backbone interact. energy: -1.881 local terms energy: -532.916149 where: bonds (distance) C4'-P energy: -98.543 bonds (distance) P-C4' energy: -102.039 flat angles C4'-P-C4' energy: -108.963 flat angles P-C4'-P energy: -62.962 tors. eta vs tors. theta energy: -160.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1673.987851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.987851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.987851 (E_RNA) where: Base-Base interactions energy: -1167.886 where: short stacking energy: -467.304 Base-Backbone interact. energy: -2.392 local terms energy: -503.709625 where: bonds (distance) C4'-P energy: -90.531 bonds (distance) P-C4' energy: -92.867 flat angles C4'-P-C4' energy: -110.176 flat angles P-C4'-P energy: -82.931 tors. eta vs tors. theta energy: -127.205 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: 3, replica: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1606.961523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.961523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.961523 (E_RNA) where: Base-Base interactions energy: -1112.007 where: short stacking energy: -477.238 Base-Backbone interact. energy: -1.303 local terms energy: -493.651898 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -94.633 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -132.304 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: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1597.231839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.231839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.231839 (E_RNA) where: Base-Base interactions energy: -1101.894 where: short stacking energy: -479.182 Base-Backbone interact. energy: 0.145 local terms energy: -495.482275 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -100.012 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -138.379 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1457.555291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.555291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.555291 (E_RNA) where: Base-Base interactions energy: -1020.360 where: short stacking energy: -404.089 Base-Backbone interact. energy: -0.738 local terms energy: -436.458044 where: bonds (distance) C4'-P energy: -95.365 bonds (distance) P-C4' energy: -91.120 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: -97.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1169.395308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.395308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.395308 (E_RNA) where: Base-Base interactions energy: -753.756 where: short stacking energy: -345.519 Base-Backbone interact. energy: -1.651 local terms energy: -413.988530 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -82.725 flat angles C4'-P-C4' energy: -100.464 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -79.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1216.370664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.370664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.370664 (E_RNA) where: Base-Base interactions energy: -829.389 where: short stacking energy: -357.206 Base-Backbone interact. energy: -1.927 local terms energy: -385.054662 where: bonds (distance) C4'-P energy: -67.231 bonds (distance) P-C4' energy: -93.743 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -84.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -996.116199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.116199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.116199 (E_RNA) where: Base-Base interactions energy: -630.602 where: short stacking energy: -282.392 Base-Backbone interact. energy: 2.352 local terms energy: -367.866069 where: bonds (distance) C4'-P energy: -90.489 bonds (distance) P-C4' energy: -85.982 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -56.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -966.065846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.065846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.065846 (E_RNA) where: Base-Base interactions energy: -611.437 where: short stacking energy: -283.582 Base-Backbone interact. energy: -0.590 local terms energy: -354.039050 where: bonds (distance) C4'-P energy: -83.466 bonds (distance) P-C4' energy: -91.341 flat angles C4'-P-C4' energy: -64.823 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -61.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -658.375122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.375122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.375122 (E_RNA) where: Base-Base interactions energy: -394.056 where: short stacking energy: -203.050 Base-Backbone interact. energy: -0.101 local terms energy: -264.218151 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -83.047 flat angles C4'-P-C4' energy: -63.376 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -12.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1820.089087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.089087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.089087 (E_RNA) where: Base-Base interactions energy: -1254.619 where: short stacking energy: -558.727 Base-Backbone interact. energy: -3.938 local terms energy: -561.531439 where: bonds (distance) C4'-P energy: -93.899 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -116.115 flat angles P-C4'-P energy: -89.346 tors. eta vs tors. theta energy: -167.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1662.876531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.876531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.876531 (E_RNA) where: Base-Base interactions energy: -1163.838 where: short stacking energy: -460.766 Base-Backbone interact. energy: -3.651 local terms energy: -495.387827 where: bonds (distance) C4'-P energy: -94.447 bonds (distance) P-C4' energy: -98.683 flat angles C4'-P-C4' energy: -109.488 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -116.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1611.364408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.364408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.364408 (E_RNA) where: Base-Base interactions energy: -1116.264 where: short stacking energy: -499.718 Base-Backbone interact. energy: -1.270 local terms energy: -493.830314 where: bonds (distance) C4'-P energy: -71.687 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -101.858 flat angles P-C4'-P energy: -77.713 tors. eta vs tors. theta energy: -153.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1544.735012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.735012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.735012 (E_RNA) where: Base-Base interactions energy: -1076.834 where: short stacking energy: -438.053 Base-Backbone interact. energy: -2.024 local terms energy: -465.877271 where: bonds (distance) C4'-P energy: -85.363 bonds (distance) P-C4' energy: -104.303 flat angles C4'-P-C4' energy: -99.433 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -117.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1457.866451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.866451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.866451 (E_RNA) where: Base-Base interactions energy: -1041.291 where: short stacking energy: -424.043 Base-Backbone interact. energy: -4.125 local terms energy: -412.450194 where: bonds (distance) C4'-P energy: -86.252 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -97.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1245.691669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.691669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.691669 (E_RNA) where: Base-Base interactions energy: -846.013 where: short stacking energy: -363.163 Base-Backbone interact. energy: -0.945 local terms energy: -398.734596 where: bonds (distance) C4'-P energy: -95.916 bonds (distance) P-C4' energy: -78.856 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -54.636 tors. eta vs tors. theta energy: -85.702 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: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1208.356183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.356183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.356183 (E_RNA) where: Base-Base interactions energy: -811.359 where: short stacking energy: -373.444 Base-Backbone interact. energy: -1.552 local terms energy: -395.445083 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -74.381 flat angles C4'-P-C4' energy: -98.547 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: -74.593 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: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -981.232479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.232479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.232479 (E_RNA) where: Base-Base interactions energy: -625.524 where: short stacking energy: -288.006 Base-Backbone interact. energy: -1.891 local terms energy: -353.817834 where: bonds (distance) C4'-P energy: -81.698 bonds (distance) P-C4' energy: -78.713 flat angles C4'-P-C4' energy: -84.483 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: -49.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -902.490130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.490130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.490130 (E_RNA) where: Base-Base interactions energy: -588.071 where: short stacking energy: -279.114 Base-Backbone interact. energy: -0.987 local terms energy: -313.431275 where: bonds (distance) C4'-P energy: -69.887 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -81.926 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -54.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -683.095291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.095291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.095291 (E_RNA) where: Base-Base interactions energy: -376.188 where: short stacking energy: -196.773 Base-Backbone interact. energy: -1.310 local terms energy: -305.596958 where: bonds (distance) C4'-P energy: -85.719 bonds (distance) P-C4' energy: -88.480 flat angles C4'-P-C4' energy: -61.455 flat angles P-C4'-P energy: -44.063 tors. eta vs tors. theta energy: -25.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1785.810631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.810631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.810631 (E_RNA) where: Base-Base interactions energy: -1223.137 where: short stacking energy: -536.803 Base-Backbone interact. energy: -0.551 local terms energy: -562.123251 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -110.684 flat angles C4'-P-C4' energy: -117.812 flat angles P-C4'-P energy: -77.797 tors. eta vs tors. theta energy: -157.738 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: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1678.723911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.723911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.723911 (E_RNA) where: Base-Base interactions energy: -1161.814 where: short stacking energy: -501.930 Base-Backbone interact. energy: -1.495 local terms energy: -515.415574 where: bonds (distance) C4'-P energy: -90.705 bonds (distance) P-C4' energy: -99.929 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -148.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1627.695304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.695304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.695304 (E_RNA) where: Base-Base interactions energy: -1168.432 where: short stacking energy: -459.083 Base-Backbone interact. energy: -3.236 local terms energy: -456.027276 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -84.425 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -110.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1497.224138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.224138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.224138 (E_RNA) where: Base-Base interactions energy: -1046.277 where: short stacking energy: -424.089 Base-Backbone interact. energy: -5.533 local terms energy: -445.414321 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -95.499 flat angles C4'-P-C4' energy: -94.420 flat angles P-C4'-P energy: -61.650 tors. eta vs tors. theta energy: -107.517 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: 5, replica: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1466.328165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.328165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.328165 (E_RNA) where: Base-Base interactions energy: -1015.234 where: short stacking energy: -375.820 Base-Backbone interact. energy: -1.350 local terms energy: -449.744246 where: bonds (distance) C4'-P energy: -79.812 bonds (distance) P-C4' energy: -96.232 flat angles C4'-P-C4' energy: -91.265 flat angles P-C4'-P energy: -73.294 tors. eta vs tors. theta energy: -109.142 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: 243 Temperature: 1.150000 Total energy: -1252.849299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.849299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.849299 (E_RNA) where: Base-Base interactions energy: -860.372 where: short stacking energy: -400.005 Base-Backbone interact. energy: -2.096 local terms energy: -390.381933 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -84.678 flat angles C4'-P-C4' energy: -82.447 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -102.946 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: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1263.591500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.591500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.591500 (E_RNA) where: Base-Base interactions energy: -878.348 where: short stacking energy: -378.517 Base-Backbone interact. energy: -0.778 local terms energy: -384.465878 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -83.190 flat angles P-C4'-P energy: -53.025 tors. eta vs tors. theta energy: -92.036 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: 243 Temperature: 1.250000 Total energy: -972.900396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.900396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.900396 (E_RNA) where: Base-Base interactions energy: -639.074 where: short stacking energy: -291.914 Base-Backbone interact. energy: -1.615 local terms energy: -332.210635 where: bonds (distance) C4'-P energy: -69.893 bonds (distance) P-C4' energy: -82.414 flat angles C4'-P-C4' energy: -74.823 flat angles P-C4'-P energy: -57.965 tors. eta vs tors. theta energy: -47.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -945.805737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.805737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.805737 (E_RNA) where: Base-Base interactions energy: -610.698 where: short stacking energy: -274.590 Base-Backbone interact. energy: -3.675 local terms energy: -331.432779 where: bonds (distance) C4'-P energy: -88.702 bonds (distance) P-C4' energy: -73.887 flat angles C4'-P-C4' energy: -78.388 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -47.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -633.295412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.295412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.295412 (E_RNA) where: Base-Base interactions energy: -372.660 where: short stacking energy: -178.234 Base-Backbone interact. energy: 0.566 local terms energy: -261.201119 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -59.807 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1778.242839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.242839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.242839 (E_RNA) where: Base-Base interactions energy: -1229.452 where: short stacking energy: -533.091 Base-Backbone interact. energy: -1.239 local terms energy: -547.551861 where: bonds (distance) C4'-P energy: -95.888 bonds (distance) P-C4' energy: -106.880 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -73.126 tors. eta vs tors. theta energy: -161.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1684.285314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.285314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.285314 (E_RNA) where: Base-Base interactions energy: -1183.590 where: short stacking energy: -507.743 Base-Backbone interact. energy: -1.728 local terms energy: -498.966645 where: bonds (distance) C4'-P energy: -101.805 bonds (distance) P-C4' energy: -82.698 flat angles C4'-P-C4' energy: -100.393 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -149.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1620.608068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.608068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.608068 (E_RNA) where: Base-Base interactions energy: -1128.571 where: short stacking energy: -466.222 Base-Backbone interact. energy: -5.102 local terms energy: -486.934957 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -87.433 flat angles C4'-P-C4' energy: -103.140 flat angles P-C4'-P energy: -69.135 tors. eta vs tors. theta energy: -133.314 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: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1512.294450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.294450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.294450 (E_RNA) where: Base-Base interactions energy: -1065.620 where: short stacking energy: -417.959 Base-Backbone interact. energy: -1.443 local terms energy: -445.231563 where: bonds (distance) C4'-P energy: -103.521 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -88.836 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -108.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1453.143146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.143146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.143146 (E_RNA) where: Base-Base interactions energy: -1026.933 where: short stacking energy: -405.898 Base-Backbone interact. energy: -2.134 local terms energy: -424.076617 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -70.694 flat angles C4'-P-C4' energy: -94.751 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -117.685 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: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1267.084019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.084019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.084019 (E_RNA) where: Base-Base interactions energy: -842.094 where: short stacking energy: -363.608 Base-Backbone interact. energy: -2.227 local terms energy: -422.763078 where: bonds (distance) C4'-P energy: -80.702 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -94.677 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -86.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1228.631819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.631819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.631819 (E_RNA) where: Base-Base interactions energy: -827.918 where: short stacking energy: -364.030 Base-Backbone interact. energy: -2.504 local terms energy: -398.209217 where: bonds (distance) C4'-P energy: -81.604 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -92.405 flat angles P-C4'-P energy: -56.961 tors. eta vs tors. theta energy: -81.857 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: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -990.803671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.803671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.803671 (E_RNA) where: Base-Base interactions energy: -625.721 where: short stacking energy: -283.972 Base-Backbone interact. energy: 1.912 local terms energy: -366.994729 where: bonds (distance) C4'-P energy: -74.765 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -91.962 flat angles P-C4'-P energy: -48.906 tors. eta vs tors. theta energy: -48.868 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: 244 Temperature: 1.300000 Total energy: -925.592499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.592499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.592499 (E_RNA) where: Base-Base interactions energy: -594.708 where: short stacking energy: -248.646 Base-Backbone interact. energy: -0.504 local terms energy: -330.380416 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -91.346 flat angles C4'-P-C4' energy: -77.253 flat angles P-C4'-P energy: -44.995 tors. eta vs tors. theta energy: -42.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -645.445298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.445298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.445298 (E_RNA) where: Base-Base interactions energy: -369.886 where: short stacking energy: -197.952 Base-Backbone interact. energy: 0.445 local terms energy: -276.004553 where: bonds (distance) C4'-P energy: -68.033 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -74.334 flat angles P-C4'-P energy: -50.045 tors. eta vs tors. theta energy: -12.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1762.750096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.750096 (E_RNA) where: Base-Base interactions energy: -1237.296 where: short stacking energy: -529.891 Base-Backbone interact. energy: -3.628 local terms energy: -521.826518 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -94.637 flat angles C4'-P-C4' energy: -111.034 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -154.673 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: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1723.068163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.068163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.068163 (E_RNA) where: Base-Base interactions energy: -1178.047 where: short stacking energy: -528.549 Base-Backbone interact. energy: -1.112 local terms energy: -543.909302 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -110.571 flat angles C4'-P-C4' energy: -117.430 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -154.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1652.517682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.517682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.517682 (E_RNA) where: Base-Base interactions energy: -1152.215 where: short stacking energy: -454.835 Base-Backbone interact. energy: -6.696 local terms energy: -493.606319 where: bonds (distance) C4'-P energy: -92.730 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -106.601 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -127.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1512.134285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.134285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.134285 (E_RNA) where: Base-Base interactions energy: -1071.843 where: short stacking energy: -431.461 Base-Backbone interact. energy: 1.070 local terms energy: -441.361389 where: bonds (distance) C4'-P energy: -82.216 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -95.134 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -120.076 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: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1463.711830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.711830 (E_RNA) where: Base-Base interactions energy: -1018.108 where: short stacking energy: -427.049 Base-Backbone interact. energy: -0.412 local terms energy: -445.192263 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -91.059 flat angles C4'-P-C4' energy: -99.260 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -112.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1281.509286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.509286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.509286 (E_RNA) where: Base-Base interactions energy: -835.947 where: short stacking energy: -374.489 Base-Backbone interact. energy: -0.055 local terms energy: -445.508059 where: bonds (distance) C4'-P energy: -84.061 bonds (distance) P-C4' energy: -95.626 flat angles C4'-P-C4' energy: -91.981 flat angles P-C4'-P energy: -75.076 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1287.326595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.326595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.326595 (E_RNA) where: Base-Base interactions energy: -901.764 where: short stacking energy: -379.910 Base-Backbone interact. energy: -2.216 local terms energy: -383.346373 where: bonds (distance) C4'-P energy: -83.708 bonds (distance) P-C4' energy: -71.531 flat angles C4'-P-C4' energy: -84.760 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -92.163 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: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -973.240256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.240256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.240256 (E_RNA) where: Base-Base interactions energy: -637.270 where: short stacking energy: -299.308 Base-Backbone interact. energy: -2.088 local terms energy: -333.882853 where: bonds (distance) C4'-P energy: -81.864 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -74.572 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -47.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -886.315970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.315970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.315970 (E_RNA) where: Base-Base interactions energy: -575.336 where: short stacking energy: -247.029 Base-Backbone interact. energy: -2.159 local terms energy: -308.821161 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -86.100 flat angles C4'-P-C4' energy: -61.940 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -35.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -667.615921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.615921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.615921 (E_RNA) where: Base-Base interactions energy: -386.213 where: short stacking energy: -186.154 Base-Backbone interact. energy: 1.598 local terms energy: -283.000328 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -79.527 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -44.541 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1773.940389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.940389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.940389 (E_RNA) where: Base-Base interactions energy: -1232.436 where: short stacking energy: -550.234 Base-Backbone interact. energy: -3.113 local terms energy: -538.391021 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -118.468 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: -159.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1719.664087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.664087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.664087 (E_RNA) where: Base-Base interactions energy: -1193.092 where: short stacking energy: -528.208 Base-Backbone interact. energy: -1.106 local terms energy: -525.465403 where: bonds (distance) C4'-P energy: -89.523 bonds (distance) P-C4' energy: -100.131 flat angles C4'-P-C4' energy: -107.657 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -154.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1616.181638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.181638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.181638 (E_RNA) where: Base-Base interactions energy: -1125.951 where: short stacking energy: -445.630 Base-Backbone interact. energy: -2.168 local terms energy: -488.062564 where: bonds (distance) C4'-P energy: -100.149 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -101.083 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -124.606 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: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1557.402368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.402368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.402368 (E_RNA) where: Base-Base interactions energy: -1100.246 where: short stacking energy: -437.559 Base-Backbone interact. energy: -0.418 local terms energy: -456.738466 where: bonds (distance) C4'-P energy: -95.084 bonds (distance) P-C4' energy: -92.983 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -120.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1468.716952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.716952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.716952 (E_RNA) where: Base-Base interactions energy: -1058.117 where: short stacking energy: -420.814 Base-Backbone interact. energy: 0.124 local terms energy: -410.724126 where: bonds (distance) C4'-P energy: -75.886 bonds (distance) P-C4' energy: -81.114 flat angles C4'-P-C4' energy: -100.332 flat angles P-C4'-P energy: -56.721 tors. eta vs tors. theta energy: -96.671 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: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1252.798757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.798757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.798757 (E_RNA) where: Base-Base interactions energy: -833.351 where: short stacking energy: -358.391 Base-Backbone interact. energy: -0.787 local terms energy: -418.660783 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -96.957 flat angles C4'-P-C4' energy: -92.380 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: -89.839 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: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1287.157414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.157414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.157414 (E_RNA) where: Base-Base interactions energy: -894.830 where: short stacking energy: -374.481 Base-Backbone interact. energy: 4.016 local terms energy: -396.343076 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -95.935 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -91.669 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: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1014.735413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.735413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.735413 (E_RNA) where: Base-Base interactions energy: -659.789 where: short stacking energy: -281.117 Base-Backbone interact. energy: -1.196 local terms energy: -353.750455 where: bonds (distance) C4'-P energy: -90.955 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -84.460 flat angles P-C4'-P energy: -46.414 tors. eta vs tors. theta energy: -54.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -854.967104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.967104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.967104 (E_RNA) where: Base-Base interactions energy: -540.107 where: short stacking energy: -252.248 Base-Backbone interact. energy: -0.054 local terms energy: -314.806263 where: bonds (distance) C4'-P energy: -89.920 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -68.825 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -36.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -684.316860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.316860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.316860 (E_RNA) where: Base-Base interactions energy: -397.247 where: short stacking energy: -197.030 Base-Backbone interact. energy: -0.662 local terms energy: -286.407857 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -81.660 flat angles C4'-P-C4' energy: -86.363 flat angles P-C4'-P energy: -38.005 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1788.650611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.650611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.650611 (E_RNA) where: Base-Base interactions energy: -1241.993 where: short stacking energy: -547.942 Base-Backbone interact. energy: -4.043 local terms energy: -542.614870 where: bonds (distance) C4'-P energy: -85.702 bonds (distance) P-C4' energy: -103.285 flat angles C4'-P-C4' energy: -123.253 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -158.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1715.255144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.255144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.255144 (E_RNA) where: Base-Base interactions energy: -1189.932 where: short stacking energy: -524.098 Base-Backbone interact. energy: -2.407 local terms energy: -522.915722 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -103.198 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -67.831 tors. eta vs tors. theta energy: -150.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1596.957187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.957187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.957187 (E_RNA) where: Base-Base interactions energy: -1107.018 where: short stacking energy: -458.643 Base-Backbone interact. energy: -3.763 local terms energy: -486.176378 where: bonds (distance) C4'-P energy: -92.436 bonds (distance) P-C4' energy: -93.926 flat angles C4'-P-C4' energy: -105.120 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: -123.441 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: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1502.777522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.777522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.777522 (E_RNA) where: Base-Base interactions energy: -1075.294 where: short stacking energy: -426.108 Base-Backbone interact. energy: -0.689 local terms energy: -426.794067 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -93.530 flat angles C4'-P-C4' energy: -93.124 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: -101.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1447.111421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.111421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.111421 (E_RNA) where: Base-Base interactions energy: -994.182 where: short stacking energy: -435.526 Base-Backbone interact. energy: -1.282 local terms energy: -451.646971 where: bonds (distance) C4'-P energy: -88.656 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -98.481 flat angles P-C4'-P energy: -59.035 tors. eta vs tors. theta energy: -109.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1273.121181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.121181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.121181 (E_RNA) where: Base-Base interactions energy: -841.428 where: short stacking energy: -388.258 Base-Backbone interact. energy: -1.337 local terms energy: -430.357004 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -93.322 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -52.119 tors. eta vs tors. theta energy: -101.542 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1298.924096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.924096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.924096 (E_RNA) where: Base-Base interactions energy: -882.616 where: short stacking energy: -359.224 Base-Backbone interact. energy: -2.423 local terms energy: -413.885159 where: bonds (distance) C4'-P energy: -73.833 bonds (distance) P-C4' energy: -98.749 flat angles C4'-P-C4' energy: -98.422 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -87.601 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: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -987.419315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.419315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.419315 (E_RNA) where: Base-Base interactions energy: -628.927 where: short stacking energy: -286.294 Base-Backbone interact. energy: -0.138 local terms energy: -358.354381 where: bonds (distance) C4'-P energy: -75.005 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -92.675 flat angles P-C4'-P energy: -51.846 tors. eta vs tors. theta energy: -59.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -846.469757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.469757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.469757 (E_RNA) where: Base-Base interactions energy: -537.672 where: short stacking energy: -248.233 Base-Backbone interact. energy: -1.191 local terms energy: -307.606170 where: bonds (distance) C4'-P energy: -82.755 bonds (distance) P-C4' energy: -85.887 flat angles C4'-P-C4' energy: -63.606 flat angles P-C4'-P energy: -41.215 tors. eta vs tors. theta energy: -34.142 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: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -642.673471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.673471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.673471 (E_RNA) where: Base-Base interactions energy: -360.455 where: short stacking energy: -198.804 Base-Backbone interact. energy: -0.997 local terms energy: -281.221978 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -83.724 flat angles C4'-P-C4' energy: -56.122 flat angles P-C4'-P energy: -50.162 tors. eta vs tors. theta energy: -15.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1788.117429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.117429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.117429 (E_RNA) where: Base-Base interactions energy: -1241.533 where: short stacking energy: -549.224 Base-Backbone interact. energy: -2.944 local terms energy: -543.640630 where: bonds (distance) C4'-P energy: -97.095 bonds (distance) P-C4' energy: -90.072 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -83.094 tors. eta vs tors. theta energy: -162.430 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1690.050479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.050479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.050479 (E_RNA) where: Base-Base interactions energy: -1171.785 where: short stacking energy: -510.069 Base-Backbone interact. energy: -0.801 local terms energy: -517.464227 where: bonds (distance) C4'-P energy: -84.082 bonds (distance) P-C4' energy: -93.549 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -155.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1628.331496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.331496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.331496 (E_RNA) where: Base-Base interactions energy: -1127.747 where: short stacking energy: -456.733 Base-Backbone interact. energy: 0.845 local terms energy: -501.429257 where: bonds (distance) C4'-P energy: -101.777 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -113.885 flat angles P-C4'-P energy: -69.084 tors. eta vs tors. theta energy: -133.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1496.339343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.339343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.339343 (E_RNA) where: Base-Base interactions energy: -1045.926 where: short stacking energy: -430.434 Base-Backbone interact. energy: 3.595 local terms energy: -454.008379 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -97.191 flat angles C4'-P-C4' energy: -104.403 flat angles P-C4'-P energy: -58.253 tors. eta vs tors. theta energy: -100.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1455.457527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.457527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.457527 (E_RNA) where: Base-Base interactions energy: -1021.287 where: short stacking energy: -409.884 Base-Backbone interact. energy: -0.480 local terms energy: -433.690170 where: bonds (distance) C4'-P energy: -74.473 bonds (distance) P-C4' energy: -100.103 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -110.103 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: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1299.951034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.951034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.951034 (E_RNA) where: Base-Base interactions energy: -872.781 where: short stacking energy: -362.031 Base-Backbone interact. energy: 1.555 local terms energy: -428.725398 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -93.892 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -86.007 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: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1279.052189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.052189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.052189 (E_RNA) where: Base-Base interactions energy: -902.140 where: short stacking energy: -383.897 Base-Backbone interact. energy: -2.509 local terms energy: -374.403454 where: bonds (distance) C4'-P energy: -64.269 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -55.978 tors. eta vs tors. theta energy: -93.966 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: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1020.260770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.260770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.260770 (E_RNA) where: Base-Base interactions energy: -664.268 where: short stacking energy: -309.801 Base-Backbone interact. energy: 0.337 local terms energy: -356.329962 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -75.907 flat angles C4'-P-C4' energy: -88.669 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -67.754 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -853.249196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.249196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.249196 (E_RNA) where: Base-Base interactions energy: -528.728 where: short stacking energy: -228.237 Base-Backbone interact. energy: 1.627 local terms energy: -326.147951 where: bonds (distance) C4'-P energy: -66.027 bonds (distance) P-C4' energy: -80.498 flat angles C4'-P-C4' energy: -87.420 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -45.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -613.652685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.652685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.652685 (E_RNA) where: Base-Base interactions energy: -333.995 where: short stacking energy: -181.815 Base-Backbone interact. energy: -1.433 local terms energy: -278.224431 where: bonds (distance) C4'-P energy: -52.324 bonds (distance) P-C4' energy: -95.097 flat angles C4'-P-C4' energy: -77.931 flat angles P-C4'-P energy: -46.502 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1808.364580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.364580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.364580 (E_RNA) where: Base-Base interactions energy: -1240.715 where: short stacking energy: -545.991 Base-Backbone interact. energy: -0.384 local terms energy: -567.265407 where: bonds (distance) C4'-P energy: -110.319 bonds (distance) P-C4' energy: -100.105 flat angles C4'-P-C4' energy: -116.065 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -165.210 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1720.630959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.630959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.630959 (E_RNA) where: Base-Base interactions energy: -1204.183 where: short stacking energy: -525.775 Base-Backbone interact. energy: -2.373 local terms energy: -514.075375 where: bonds (distance) C4'-P energy: -81.822 bonds (distance) P-C4' energy: -103.217 flat angles C4'-P-C4' energy: -108.550 flat angles P-C4'-P energy: -72.624 tors. eta vs tors. theta energy: -147.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1582.763149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.763149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.763149 (E_RNA) where: Base-Base interactions energy: -1134.038 where: short stacking energy: -455.577 Base-Backbone interact. energy: -3.779 local terms energy: -444.946598 where: bonds (distance) C4'-P energy: -73.969 bonds (distance) P-C4' energy: -83.005 flat angles C4'-P-C4' energy: -105.233 flat angles P-C4'-P energy: -66.733 tors. eta vs tors. theta energy: -116.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1522.226918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.226918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.226918 (E_RNA) where: Base-Base interactions energy: -1066.324 where: short stacking energy: -448.197 Base-Backbone interact. energy: 0.470 local terms energy: -456.372795 where: bonds (distance) C4'-P energy: -82.359 bonds (distance) P-C4' energy: -97.272 flat angles C4'-P-C4' energy: -97.404 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: -118.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1438.646287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.646287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.646287 (E_RNA) where: Base-Base interactions energy: -1033.869 where: short stacking energy: -399.650 Base-Backbone interact. energy: -1.311 local terms energy: -403.466649 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -78.461 flat angles C4'-P-C4' energy: -95.752 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: -89.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1363.999024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.999024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.999024 (E_RNA) where: Base-Base interactions energy: -950.853 where: short stacking energy: -395.742 Base-Backbone interact. energy: 0.373 local terms energy: -413.519048 where: bonds (distance) C4'-P energy: -69.674 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -96.950 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -94.132 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: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1187.049479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.049479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.049479 (E_RNA) where: Base-Base interactions energy: -821.247 where: short stacking energy: -364.723 Base-Backbone interact. energy: 4.565 local terms energy: -370.367473 where: bonds (distance) C4'-P energy: -60.148 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -87.510 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -81.430 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: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1022.906511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.906511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.906511 (E_RNA) where: Base-Base interactions energy: -648.849 where: short stacking energy: -310.888 Base-Backbone interact. energy: -0.853 local terms energy: -373.203948 where: bonds (distance) C4'-P energy: -100.062 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -86.435 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -62.207 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -825.440274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.440274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.440274 (E_RNA) where: Base-Base interactions energy: -525.455 where: short stacking energy: -280.122 Base-Backbone interact. energy: 2.189 local terms energy: -302.174270 where: bonds (distance) C4'-P energy: -77.491 bonds (distance) P-C4' energy: -64.976 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -34.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -650.106922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.106922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.106922 (E_RNA) where: Base-Base interactions energy: -353.219 where: short stacking energy: -184.632 Base-Backbone interact. energy: -3.641 local terms energy: -293.246685 where: bonds (distance) C4'-P energy: -77.825 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -67.607 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: -27.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1778.086703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.086703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.086703 (E_RNA) where: Base-Base interactions energy: -1221.151 where: short stacking energy: -543.126 Base-Backbone interact. energy: -4.043 local terms energy: -552.893012 where: bonds (distance) C4'-P energy: -94.058 bonds (distance) P-C4' energy: -103.122 flat angles C4'-P-C4' energy: -114.673 flat angles P-C4'-P energy: -75.947 tors. eta vs tors. theta energy: -165.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1738.213158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.213158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.213158 (E_RNA) where: Base-Base interactions energy: -1206.679 where: short stacking energy: -516.946 Base-Backbone interact. energy: 0.062 local terms energy: -531.596503 where: bonds (distance) C4'-P energy: -88.010 bonds (distance) P-C4' energy: -99.040 flat angles C4'-P-C4' energy: -105.314 flat angles P-C4'-P energy: -81.452 tors. eta vs tors. theta energy: -157.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1599.328847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.328847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.328847 (E_RNA) where: Base-Base interactions energy: -1132.897 where: short stacking energy: -436.090 Base-Backbone interact. energy: -3.015 local terms energy: -463.416887 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -94.128 flat angles C4'-P-C4' energy: -101.713 flat angles P-C4'-P energy: -58.798 tors. eta vs tors. theta energy: -114.875 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: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1534.115467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.115467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.115467 (E_RNA) where: Base-Base interactions energy: -1061.566 where: short stacking energy: -451.766 Base-Backbone interact. energy: -0.423 local terms energy: -472.126201 where: bonds (distance) C4'-P energy: -91.746 bonds (distance) P-C4' energy: -91.322 flat angles C4'-P-C4' energy: -104.799 flat angles P-C4'-P energy: -58.922 tors. eta vs tors. theta energy: -125.337 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: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1424.450959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.450959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.450959 (E_RNA) where: Base-Base interactions energy: -996.522 where: short stacking energy: -413.882 Base-Backbone interact. energy: 1.509 local terms energy: -429.438387 where: bonds (distance) C4'-P energy: -80.922 bonds (distance) P-C4' energy: -75.669 flat angles C4'-P-C4' energy: -104.530 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -99.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1352.178448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.178448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.178448 (E_RNA) where: Base-Base interactions energy: -960.297 where: short stacking energy: -403.249 Base-Backbone interact. energy: 1.678 local terms energy: -393.559130 where: bonds (distance) C4'-P energy: -81.763 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -106.755 flat angles P-C4'-P energy: -38.197 tors. eta vs tors. theta energy: -92.240 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1195.440808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.440808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.440808 (E_RNA) where: Base-Base interactions energy: -781.747 where: short stacking energy: -354.381 Base-Backbone interact. energy: -1.030 local terms energy: -412.663944 where: bonds (distance) C4'-P energy: -88.408 bonds (distance) P-C4' energy: -83.672 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -90.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1029.428800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.428800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.428800 (E_RNA) where: Base-Base interactions energy: -656.475 where: short stacking energy: -307.487 Base-Backbone interact. energy: -1.519 local terms energy: -371.434915 where: bonds (distance) C4'-P energy: -71.227 bonds (distance) P-C4' energy: -82.166 flat angles C4'-P-C4' energy: -105.982 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -63.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -843.248893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.248893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.248893 (E_RNA) where: Base-Base interactions energy: -524.224 where: short stacking energy: -234.284 Base-Backbone interact. energy: -1.568 local terms energy: -317.456401 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -88.232 flat angles C4'-P-C4' energy: -82.168 flat angles P-C4'-P energy: -30.845 tors. eta vs tors. theta energy: -33.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -633.466152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.466152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.466152 (E_RNA) where: Base-Base interactions energy: -359.698 where: short stacking energy: -183.168 Base-Backbone interact. energy: 1.660 local terms energy: -275.428352 where: bonds (distance) C4'-P energy: -78.347 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: 3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1767.349979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.349979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.349979 (E_RNA) where: Base-Base interactions energy: -1211.984 where: short stacking energy: -543.137 Base-Backbone interact. energy: -1.372 local terms energy: -553.993836 where: bonds (distance) C4'-P energy: -96.906 bonds (distance) P-C4' energy: -106.736 flat angles C4'-P-C4' energy: -105.788 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -155.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1737.274924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.274924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.274924 (E_RNA) where: Base-Base interactions energy: -1202.552 where: short stacking energy: -527.038 Base-Backbone interact. energy: -2.557 local terms energy: -532.165649 where: bonds (distance) C4'-P energy: -105.956 bonds (distance) P-C4' energy: -86.432 flat angles C4'-P-C4' energy: -116.824 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: -156.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1628.551433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.551433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.551433 (E_RNA) where: Base-Base interactions energy: -1135.176 where: short stacking energy: -451.717 Base-Backbone interact. energy: -1.292 local terms energy: -492.084083 where: bonds (distance) C4'-P energy: -89.447 bonds (distance) P-C4' energy: -97.540 flat angles C4'-P-C4' energy: -106.207 flat angles P-C4'-P energy: -76.030 tors. eta vs tors. theta energy: -122.860 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: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1539.989061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.989061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.989061 (E_RNA) where: Base-Base interactions energy: -1069.539 where: short stacking energy: -455.503 Base-Backbone interact. energy: -3.990 local terms energy: -466.459548 where: bonds (distance) C4'-P energy: -88.667 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -108.573 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -123.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1423.740400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.740400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.740400 (E_RNA) where: Base-Base interactions energy: -1008.372 where: short stacking energy: -385.782 Base-Backbone interact. energy: 1.225 local terms energy: -416.594079 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -89.993 flat angles C4'-P-C4' energy: -95.646 flat angles P-C4'-P energy: -65.124 tors. eta vs tors. theta energy: -85.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1399.505541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.505541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.505541 (E_RNA) where: Base-Base interactions energy: -945.452 where: short stacking energy: -397.825 Base-Backbone interact. energy: -0.230 local terms energy: -453.823407 where: bonds (distance) C4'-P energy: -94.121 bonds (distance) P-C4' energy: -91.636 flat angles C4'-P-C4' energy: -98.499 flat angles P-C4'-P energy: -61.210 tors. eta vs tors. theta energy: -108.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1193.458040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.458040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.458040 (E_RNA) where: Base-Base interactions energy: -809.598 where: short stacking energy: -353.719 Base-Backbone interact. energy: 1.956 local terms energy: -385.816050 where: bonds (distance) C4'-P energy: -85.176 bonds (distance) P-C4' energy: -72.704 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -52.948 tors. eta vs tors. theta energy: -90.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1051.863202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.863202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.863202 (E_RNA) where: Base-Base interactions energy: -675.709 where: short stacking energy: -328.061 Base-Backbone interact. energy: 0.290 local terms energy: -376.444460 where: bonds (distance) C4'-P energy: -75.851 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -89.222 flat angles P-C4'-P energy: -59.819 tors. eta vs tors. theta energy: -72.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -884.940960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.940960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.940960 (E_RNA) where: Base-Base interactions energy: -522.338 where: short stacking energy: -246.356 Base-Backbone interact. energy: -1.918 local terms energy: -360.685079 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -89.070 flat angles C4'-P-C4' energy: -96.613 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -44.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -701.892405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.892405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.892405 (E_RNA) where: Base-Base interactions energy: -433.824 where: short stacking energy: -218.771 Base-Backbone interact. energy: 3.341 local terms energy: -271.409319 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -36.995 tors. eta vs tors. theta energy: -24.764 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: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1788.974845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.974845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.974845 (E_RNA) where: Base-Base interactions energy: -1261.001 where: short stacking energy: -546.561 Base-Backbone interact. energy: -0.816 local terms energy: -527.158306 where: bonds (distance) C4'-P energy: -84.377 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -111.947 flat angles P-C4'-P energy: -69.758 tors. eta vs tors. theta energy: -162.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1747.226758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.226758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.226758 (E_RNA) where: Base-Base interactions energy: -1222.438 where: short stacking energy: -541.612 Base-Backbone interact. energy: -1.750 local terms energy: -523.039478 where: bonds (distance) C4'-P energy: -82.998 bonds (distance) P-C4' energy: -99.059 flat angles C4'-P-C4' energy: -116.138 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -155.901 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: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1636.214547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.214547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.214547 (E_RNA) where: Base-Base interactions energy: -1147.907 where: short stacking energy: -457.045 Base-Backbone interact. energy: -3.715 local terms energy: -484.592778 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -102.797 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -61.987 tors. eta vs tors. theta energy: -130.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1572.295523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.295523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.295523 (E_RNA) where: Base-Base interactions energy: -1107.100 where: short stacking energy: -456.402 Base-Backbone interact. energy: 2.430 local terms energy: -467.625763 where: bonds (distance) C4'-P energy: -85.470 bonds (distance) P-C4' energy: -87.662 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -117.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1457.399671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.399671 (E_RNA) where: Base-Base interactions energy: -1016.636 where: short stacking energy: -433.665 Base-Backbone interact. energy: -2.453 local terms energy: -438.310446 where: bonds (distance) C4'-P energy: -85.009 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -91.909 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -116.114 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: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1389.856311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.856311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.856311 (E_RNA) where: Base-Base interactions energy: -988.771 where: short stacking energy: -394.016 Base-Backbone interact. energy: -2.313 local terms energy: -398.772289 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -80.725 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -87.168 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: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1162.232627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.232627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.232627 (E_RNA) where: Base-Base interactions energy: -789.755 where: short stacking energy: -333.886 Base-Backbone interact. energy: -3.046 local terms energy: -369.432226 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -82.831 flat angles C4'-P-C4' energy: -78.959 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -83.462 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: 252 Temperature: 1.250000 Total energy: -1073.785502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.785502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.785502 (E_RNA) where: Base-Base interactions energy: -674.839 where: short stacking energy: -326.976 Base-Backbone interact. energy: 1.473 local terms energy: -400.419141 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -96.156 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: -82.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -904.214823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.214823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.214823 (E_RNA) where: Base-Base interactions energy: -564.956 where: short stacking energy: -276.567 Base-Backbone interact. energy: 2.650 local terms energy: -341.908726 where: bonds (distance) C4'-P energy: -68.177 bonds (distance) P-C4' energy: -87.944 flat angles C4'-P-C4' energy: -75.644 flat angles P-C4'-P energy: -60.825 tors. eta vs tors. theta energy: -49.318 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: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -712.257081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.257081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.257081 (E_RNA) where: Base-Base interactions energy: -421.539 where: short stacking energy: -207.650 Base-Backbone interact. energy: 2.923 local terms energy: -293.640874 where: bonds (distance) C4'-P energy: -62.442 bonds (distance) P-C4' energy: -95.439 flat angles C4'-P-C4' energy: -63.978 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: -21.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1779.121476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.121476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.121476 (E_RNA) where: Base-Base interactions energy: -1248.381 where: short stacking energy: -527.898 Base-Backbone interact. energy: -1.555 local terms energy: -529.185362 where: bonds (distance) C4'-P energy: -98.865 bonds (distance) P-C4' energy: -94.584 flat angles C4'-P-C4' energy: -114.303 flat angles P-C4'-P energy: -67.240 tors. eta vs tors. theta energy: -154.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1736.758168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.758168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.758168 (E_RNA) where: Base-Base interactions energy: -1195.458 where: short stacking energy: -528.122 Base-Backbone interact. energy: -1.590 local terms energy: -539.709747 where: bonds (distance) C4'-P energy: -87.332 bonds (distance) P-C4' energy: -97.910 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -83.020 tors. eta vs tors. theta energy: -163.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1632.500349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.500349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.500349 (E_RNA) where: Base-Base interactions energy: -1159.647 where: short stacking energy: -476.843 Base-Backbone interact. energy: -2.524 local terms energy: -470.328973 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -96.449 flat angles C4'-P-C4' energy: -101.333 flat angles P-C4'-P energy: -57.624 tors. eta vs tors. theta energy: -132.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1594.656634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.656634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.656634 (E_RNA) where: Base-Base interactions energy: -1104.405 where: short stacking energy: -469.800 Base-Backbone interact. energy: -1.908 local terms energy: -488.343172 where: bonds (distance) C4'-P energy: -78.605 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -111.480 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -129.969 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: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1452.117256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.117256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.117256 (E_RNA) where: Base-Base interactions energy: -995.932 where: short stacking energy: -411.308 Base-Backbone interact. energy: -0.702 local terms energy: -455.482327 where: bonds (distance) C4'-P energy: -77.534 bonds (distance) P-C4' energy: -93.355 flat angles C4'-P-C4' energy: -105.060 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -113.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1377.273080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.273080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.273080 (E_RNA) where: Base-Base interactions energy: -962.112 where: short stacking energy: -381.951 Base-Backbone interact. energy: -3.015 local terms energy: -412.145556 where: bonds (distance) C4'-P energy: -93.762 bonds (distance) P-C4' energy: -77.304 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -90.160 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: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1166.873315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.873315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.873315 (E_RNA) where: Base-Base interactions energy: -788.961 where: short stacking energy: -348.403 Base-Backbone interact. energy: -1.244 local terms energy: -376.668550 where: bonds (distance) C4'-P energy: -84.329 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -82.262 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -85.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1043.881726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.881726 (E_RNA) where: Base-Base interactions energy: -679.141 where: short stacking energy: -293.576 Base-Backbone interact. energy: -2.223 local terms energy: -362.517415 where: bonds (distance) C4'-P energy: -85.470 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -82.679 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -73.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -903.029067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.029067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.029067 (E_RNA) where: Base-Base interactions energy: -579.182 where: short stacking energy: -270.713 Base-Backbone interact. energy: -3.171 local terms energy: -320.676015 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -83.484 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -41.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -664.376358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.376358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.376358 (E_RNA) where: Base-Base interactions energy: -382.452 where: short stacking energy: -201.153 Base-Backbone interact. energy: 1.795 local terms energy: -283.719287 where: bonds (distance) C4'-P energy: -77.211 bonds (distance) P-C4' energy: -93.436 flat angles C4'-P-C4' energy: -66.907 flat angles P-C4'-P energy: -32.021 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1799.810341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.810341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.810341 (E_RNA) where: Base-Base interactions energy: -1236.867 where: short stacking energy: -552.625 Base-Backbone interact. energy: -2.079 local terms energy: -560.864920 where: bonds (distance) C4'-P energy: -101.513 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -110.502 flat angles P-C4'-P energy: -77.350 tors. eta vs tors. theta energy: -159.363 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: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1743.820420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.820420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.820420 (E_RNA) where: Base-Base interactions energy: -1210.436 where: short stacking energy: -537.256 Base-Backbone interact. energy: -4.324 local terms energy: -529.060402 where: bonds (distance) C4'-P energy: -91.906 bonds (distance) P-C4' energy: -94.149 flat angles C4'-P-C4' energy: -108.917 flat angles P-C4'-P energy: -72.108 tors. eta vs tors. theta energy: -161.980 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: 254 Temperature: 1.000000 Total energy: -1647.966414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.966414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.966414 (E_RNA) where: Base-Base interactions energy: -1159.659 where: short stacking energy: -465.596 Base-Backbone interact. energy: 0.010 local terms energy: -488.317325 where: bonds (distance) C4'-P energy: -86.991 bonds (distance) P-C4' energy: -100.039 flat angles C4'-P-C4' energy: -105.301 flat angles P-C4'-P energy: -65.736 tors. eta vs tors. theta energy: -130.250 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: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1604.967238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.967238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.967238 (E_RNA) where: Base-Base interactions energy: -1109.533 where: short stacking energy: -458.369 Base-Backbone interact. energy: -2.133 local terms energy: -493.300893 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -98.881 flat angles C4'-P-C4' energy: -107.942 flat angles P-C4'-P energy: -63.619 tors. eta vs tors. theta energy: -135.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1479.298057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.298057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.298057 (E_RNA) where: Base-Base interactions energy: -1018.419 where: short stacking energy: -437.634 Base-Backbone interact. energy: -0.974 local terms energy: -459.904260 where: bonds (distance) C4'-P energy: -98.029 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -65.911 tors. eta vs tors. theta energy: -112.256 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1374.685798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.685798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.685798 (E_RNA) where: Base-Base interactions energy: -971.617 where: short stacking energy: -390.321 Base-Backbone interact. energy: 2.446 local terms energy: -405.514864 where: bonds (distance) C4'-P energy: -70.353 bonds (distance) P-C4' energy: -83.105 flat angles C4'-P-C4' energy: -96.289 flat angles P-C4'-P energy: -65.637 tors. eta vs tors. theta energy: -90.132 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1191.328365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.328365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.328365 (E_RNA) where: Base-Base interactions energy: -789.732 where: short stacking energy: -315.269 Base-Backbone interact. energy: 0.789 local terms energy: -402.385595 where: bonds (distance) C4'-P energy: -79.331 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -88.810 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -88.985 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: 254 Temperature: 1.250000 Total energy: -1071.150511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.150511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.150511 (E_RNA) where: Base-Base interactions energy: -696.018 where: short stacking energy: -322.550 Base-Backbone interact. energy: -0.460 local terms energy: -374.672940 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -99.512 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -74.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -970.915478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.915478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.915478 (E_RNA) where: Base-Base interactions energy: -628.066 where: short stacking energy: -291.248 Base-Backbone interact. energy: 4.567 local terms energy: -347.415886 where: bonds (distance) C4'-P energy: -72.789 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -82.310 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -47.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -681.471658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.471658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.471658 (E_RNA) where: Base-Base interactions energy: -427.076 where: short stacking energy: -213.965 Base-Backbone interact. energy: 0.974 local terms energy: -255.369073 where: bonds (distance) C4'-P energy: -64.405 bonds (distance) P-C4' energy: -80.754 flat angles C4'-P-C4' energy: -75.529 flat angles P-C4'-P energy: -26.090 tors. eta vs tors. theta energy: -8.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1791.828972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.828972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.828972 (E_RNA) where: Base-Base interactions energy: -1232.516 where: short stacking energy: -545.463 Base-Backbone interact. energy: -1.231 local terms energy: -558.081745 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -102.741 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -158.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1763.966378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.966378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.966378 (E_RNA) where: Base-Base interactions energy: -1228.610 where: short stacking energy: -535.405 Base-Backbone interact. energy: -3.284 local terms energy: -532.072508 where: bonds (distance) C4'-P energy: -99.398 bonds (distance) P-C4' energy: -101.356 flat angles C4'-P-C4' energy: -101.710 flat angles P-C4'-P energy: -72.756 tors. eta vs tors. theta energy: -156.852 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: 255 Temperature: 1.000000 Total energy: -1638.869116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.869116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.869116 (E_RNA) where: Base-Base interactions energy: -1152.928 where: short stacking energy: -487.200 Base-Backbone interact. energy: -2.684 local terms energy: -483.257432 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -94.520 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: -131.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1638.625597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.625597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.625597 (E_RNA) where: Base-Base interactions energy: -1140.020 where: short stacking energy: -470.776 Base-Backbone interact. energy: 1.851 local terms energy: -500.456300 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -95.076 flat angles C4'-P-C4' energy: -116.807 flat angles P-C4'-P energy: -64.704 tors. eta vs tors. theta energy: -139.251 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: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1442.015985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.015985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.015985 (E_RNA) where: Base-Base interactions energy: -990.858 where: short stacking energy: -416.643 Base-Backbone interact. energy: -0.041 local terms energy: -451.117229 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -70.636 tors. eta vs tors. theta energy: -110.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1357.526253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.526253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.526253 (E_RNA) where: Base-Base interactions energy: -981.049 where: short stacking energy: -369.301 Base-Backbone interact. energy: -3.442 local terms energy: -373.035207 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -82.034 flat angles C4'-P-C4' energy: -93.684 flat angles P-C4'-P energy: -48.074 tors. eta vs tors. theta energy: -80.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1186.056950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.056950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.056950 (E_RNA) where: Base-Base interactions energy: -813.543 where: short stacking energy: -330.312 Base-Backbone interact. energy: -1.642 local terms energy: -370.871243 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -81.956 flat angles P-C4'-P energy: -45.961 tors. eta vs tors. theta energy: -91.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1075.760607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.760607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.760607 (E_RNA) where: Base-Base interactions energy: -705.982 where: short stacking energy: -346.955 Base-Backbone interact. energy: -4.491 local terms energy: -365.288233 where: bonds (distance) C4'-P energy: -60.229 bonds (distance) P-C4' energy: -96.766 flat angles C4'-P-C4' energy: -81.086 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -80.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -913.968444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.968444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.968444 (E_RNA) where: Base-Base interactions energy: -576.271 where: short stacking energy: -278.145 Base-Backbone interact. energy: 10.478 local terms energy: -348.175522 where: bonds (distance) C4'-P energy: -86.995 bonds (distance) P-C4' energy: -95.104 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -56.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -630.398556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.398556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.398556 (E_RNA) where: Base-Base interactions energy: -364.742 where: short stacking energy: -180.283 Base-Backbone interact. energy: 0.274 local terms energy: -265.930625 where: bonds (distance) C4'-P energy: -73.885 bonds (distance) P-C4' energy: -75.529 flat angles C4'-P-C4' energy: -76.823 flat angles P-C4'-P energy: -37.008 tors. eta vs tors. theta energy: -2.686 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1774.810233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.810233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.810233 (E_RNA) where: Base-Base interactions energy: -1222.719 where: short stacking energy: -525.153 Base-Backbone interact. energy: -2.234 local terms energy: -549.857249 where: bonds (distance) C4'-P energy: -98.167 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -84.516 tors. eta vs tors. theta energy: -157.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1749.276913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.276913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.276913 (E_RNA) where: Base-Base interactions energy: -1219.265 where: short stacking energy: -529.758 Base-Backbone interact. energy: -1.599 local terms energy: -528.412942 where: bonds (distance) C4'-P energy: -95.270 bonds (distance) P-C4' energy: -100.782 flat angles C4'-P-C4' energy: -103.274 flat angles P-C4'-P energy: -67.167 tors. eta vs tors. theta energy: -161.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1637.911613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.911613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.911613 (E_RNA) where: Base-Base interactions energy: -1134.521 where: short stacking energy: -476.701 Base-Backbone interact. energy: -0.899 local terms energy: -502.491657 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -92.790 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -134.688 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: 256 Temperature: 1.050000 Total energy: -1582.166959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.166959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.166959 (E_RNA) where: Base-Base interactions energy: -1124.608 where: short stacking energy: -438.651 Base-Backbone interact. energy: -2.498 local terms energy: -455.061382 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -83.985 flat angles C4'-P-C4' energy: -95.413 flat angles P-C4'-P energy: -60.328 tors. eta vs tors. theta energy: -119.638 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: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1444.864120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.864120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.864120 (E_RNA) where: Base-Base interactions energy: -981.353 where: short stacking energy: -423.901 Base-Backbone interact. energy: -2.207 local terms energy: -461.304390 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -101.470 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -67.972 tors. eta vs tors. theta energy: -103.816 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: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1345.843609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.843609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.843609 (E_RNA) where: Base-Base interactions energy: -941.197 where: short stacking energy: -379.486 Base-Backbone interact. energy: -2.892 local terms energy: -401.754945 where: bonds (distance) C4'-P energy: -84.495 bonds (distance) P-C4' energy: -90.059 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -80.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1200.972809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.972809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.972809 (E_RNA) where: Base-Base interactions energy: -803.727 where: short stacking energy: -377.419 Base-Backbone interact. energy: 1.146 local terms energy: -398.391168 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -81.079 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: -88.403 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: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -996.717493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.717493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.717493 (E_RNA) where: Base-Base interactions energy: -659.614 where: short stacking energy: -297.804 Base-Backbone interact. energy: 1.344 local terms energy: -338.447057 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -77.619 flat angles C4'-P-C4' energy: -88.957 flat angles P-C4'-P energy: -43.772 tors. eta vs tors. theta energy: -57.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -894.302067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.302067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.302067 (E_RNA) where: Base-Base interactions energy: -553.224 where: short stacking energy: -231.673 Base-Backbone interact. energy: 2.961 local terms energy: -344.039375 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -88.932 flat angles C4'-P-C4' energy: -94.044 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -34.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -643.669067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.669067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.669067 (E_RNA) where: Base-Base interactions energy: -366.084 where: short stacking energy: -190.743 Base-Backbone interact. energy: 3.196 local terms energy: -280.781267 where: bonds (distance) C4'-P energy: -74.257 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1797.113553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.113553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.113553 (E_RNA) where: Base-Base interactions energy: -1249.633 where: short stacking energy: -550.466 Base-Backbone interact. energy: -1.550 local terms energy: -545.930404 where: bonds (distance) C4'-P energy: -105.677 bonds (distance) P-C4' energy: -100.843 flat angles C4'-P-C4' energy: -106.157 flat angles P-C4'-P energy: -84.929 tors. eta vs tors. theta energy: -148.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1782.396696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.396696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.396696 (E_RNA) where: Base-Base interactions energy: -1227.803 where: short stacking energy: -530.601 Base-Backbone interact. energy: -4.531 local terms energy: -550.062869 where: bonds (distance) C4'-P energy: -96.048 bonds (distance) P-C4' energy: -97.674 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -76.907 tors. eta vs tors. theta energy: -167.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1652.685610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.685610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.685610 (E_RNA) where: Base-Base interactions energy: -1159.131 where: short stacking energy: -502.718 Base-Backbone interact. energy: -1.705 local terms energy: -491.849390 where: bonds (distance) C4'-P energy: -67.278 bonds (distance) P-C4' energy: -94.125 flat angles C4'-P-C4' energy: -114.857 flat angles P-C4'-P energy: -69.946 tors. eta vs tors. theta energy: -145.644 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1584.893482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.893482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.893482 (E_RNA) where: Base-Base interactions energy: -1141.164 where: short stacking energy: -443.608 Base-Backbone interact. energy: -4.405 local terms energy: -439.324421 where: bonds (distance) C4'-P energy: -82.979 bonds (distance) P-C4' energy: -84.766 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: -117.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1453.561739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.561739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.561739 (E_RNA) where: Base-Base interactions energy: -1014.712 where: short stacking energy: -433.308 Base-Backbone interact. energy: -0.097 local terms energy: -438.753475 where: bonds (distance) C4'-P energy: -80.432 bonds (distance) P-C4' energy: -93.921 flat angles C4'-P-C4' energy: -101.246 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -114.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1375.726577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.726577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.726577 (E_RNA) where: Base-Base interactions energy: -955.932 where: short stacking energy: -362.703 Base-Backbone interact. energy: -5.050 local terms energy: -414.744667 where: bonds (distance) C4'-P energy: -71.685 bonds (distance) P-C4' energy: -99.944 flat angles C4'-P-C4' energy: -104.995 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -94.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1186.289857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.289857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.289857 (E_RNA) where: Base-Base interactions energy: -787.150 where: short stacking energy: -359.154 Base-Backbone interact. energy: 3.487 local terms energy: -402.626390 where: bonds (distance) C4'-P energy: -74.508 bonds (distance) P-C4' energy: -81.448 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -91.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1028.705562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.705562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.705562 (E_RNA) where: Base-Base interactions energy: -664.304 where: short stacking energy: -298.797 Base-Backbone interact. energy: -2.857 local terms energy: -361.544796 where: bonds (distance) C4'-P energy: -75.215 bonds (distance) P-C4' energy: -90.008 flat angles C4'-P-C4' energy: -80.045 flat angles P-C4'-P energy: -58.808 tors. eta vs tors. theta energy: -57.469 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: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -909.826381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.826381 (E_RNA) where: Base-Base interactions energy: -584.848 where: short stacking energy: -270.026 Base-Backbone interact. energy: -2.055 local terms energy: -322.923719 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -76.922 flat angles C4'-P-C4' energy: -64.626 flat angles P-C4'-P energy: -65.563 tors. eta vs tors. theta energy: -35.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -616.410573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.410573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.410573 (E_RNA) where: Base-Base interactions energy: -338.730 where: short stacking energy: -160.190 Base-Backbone interact. energy: -1.809 local terms energy: -275.870794 where: bonds (distance) C4'-P energy: -70.825 bonds (distance) P-C4' energy: -85.819 flat angles C4'-P-C4' energy: -73.282 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1769.870892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.870892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.870892 (E_RNA) where: Base-Base interactions energy: -1241.847 where: short stacking energy: -562.282 Base-Backbone interact. energy: -0.561 local terms energy: -527.463552 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -86.734 flat angles C4'-P-C4' energy: -111.726 flat angles P-C4'-P energy: -78.886 tors. eta vs tors. theta energy: -152.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1745.221145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.221145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.221145 (E_RNA) where: Base-Base interactions energy: -1216.619 where: short stacking energy: -540.727 Base-Backbone interact. energy: -2.359 local terms energy: -526.243600 where: bonds (distance) C4'-P energy: -95.368 bonds (distance) P-C4' energy: -91.695 flat angles C4'-P-C4' energy: -107.380 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -156.455 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: 258 Temperature: 1.000000 Total energy: -1631.030119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.030119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.030119 (E_RNA) where: Base-Base interactions energy: -1115.967 where: short stacking energy: -440.769 Base-Backbone interact. energy: -4.553 local terms energy: -510.510312 where: bonds (distance) C4'-P energy: -103.143 bonds (distance) P-C4' energy: -96.615 flat angles C4'-P-C4' energy: -115.080 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -119.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1570.730597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.730597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.730597 (E_RNA) where: Base-Base interactions energy: -1106.745 where: short stacking energy: -460.663 Base-Backbone interact. energy: -1.093 local terms energy: -462.892331 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -91.929 flat angles C4'-P-C4' energy: -93.450 flat angles P-C4'-P energy: -51.756 tors. eta vs tors. theta energy: -130.939 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: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1499.892834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.892834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.892834 (E_RNA) where: Base-Base interactions energy: -1033.667 where: short stacking energy: -455.311 Base-Backbone interact. energy: -3.420 local terms energy: -462.805325 where: bonds (distance) C4'-P energy: -81.682 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -101.562 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1376.112797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.112797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.112797 (E_RNA) where: Base-Base interactions energy: -969.368 where: short stacking energy: -389.901 Base-Backbone interact. energy: -2.274 local terms energy: -404.470933 where: bonds (distance) C4'-P energy: -80.117 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -52.172 tors. eta vs tors. theta energy: -100.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1177.272359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.272359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.272359 (E_RNA) where: Base-Base interactions energy: -765.065 where: short stacking energy: -351.618 Base-Backbone interact. energy: -0.721 local terms energy: -411.485847 where: bonds (distance) C4'-P energy: -88.131 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -106.686 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -79.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1102.133269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.133269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.133269 (E_RNA) where: Base-Base interactions energy: -727.209 where: short stacking energy: -322.895 Base-Backbone interact. energy: -1.214 local terms energy: -373.710111 where: bonds (distance) C4'-P energy: -80.175 bonds (distance) P-C4' energy: -90.258 flat angles C4'-P-C4' energy: -88.958 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -73.917 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: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -858.663891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.663891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.663891 (E_RNA) where: Base-Base interactions energy: -543.709 where: short stacking energy: -256.901 Base-Backbone interact. energy: -0.420 local terms energy: -314.535415 where: bonds (distance) C4'-P energy: -87.357 bonds (distance) P-C4' energy: -72.970 flat angles C4'-P-C4' energy: -71.128 flat angles P-C4'-P energy: -41.130 tors. eta vs tors. theta energy: -41.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -605.056465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.056465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.056465 (E_RNA) where: Base-Base interactions energy: -336.999 where: short stacking energy: -181.712 Base-Backbone interact. energy: 0.977 local terms energy: -269.034822 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -73.102 flat angles C4'-P-C4' energy: -62.858 flat angles P-C4'-P energy: -55.059 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1763.424351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.424351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.424351 (E_RNA) where: Base-Base interactions energy: -1214.791 where: short stacking energy: -536.979 Base-Backbone interact. energy: -0.805 local terms energy: -547.827760 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -97.662 flat angles C4'-P-C4' energy: -107.730 flat angles P-C4'-P energy: -85.808 tors. eta vs tors. theta energy: -156.255 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: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1737.887967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.887967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.887967 (E_RNA) where: Base-Base interactions energy: -1218.393 where: short stacking energy: -520.166 Base-Backbone interact. energy: 0.768 local terms energy: -520.263361 where: bonds (distance) C4'-P energy: -91.353 bonds (distance) P-C4' energy: -91.805 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -156.220 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: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1641.828595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.828595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.828595 (E_RNA) where: Base-Base interactions energy: -1153.391 where: short stacking energy: -468.985 Base-Backbone interact. energy: -2.560 local terms energy: -485.877560 where: bonds (distance) C4'-P energy: -91.790 bonds (distance) P-C4' energy: -93.927 flat angles C4'-P-C4' energy: -95.938 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -138.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1564.172586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.172586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.172586 (E_RNA) where: Base-Base interactions energy: -1092.690 where: short stacking energy: -474.234 Base-Backbone interact. energy: 1.941 local terms energy: -473.422996 where: bonds (distance) C4'-P energy: -77.683 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: -130.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1502.978245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.978245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.978245 (E_RNA) where: Base-Base interactions energy: -1055.318 where: short stacking energy: -441.612 Base-Backbone interact. energy: -0.302 local terms energy: -447.358441 where: bonds (distance) C4'-P energy: -87.895 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -65.697 tors. eta vs tors. theta energy: -123.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1415.748179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.748179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.748179 (E_RNA) where: Base-Base interactions energy: -998.442 where: short stacking energy: -399.489 Base-Backbone interact. energy: -1.935 local terms energy: -415.371211 where: bonds (distance) C4'-P energy: -79.841 bonds (distance) P-C4' energy: -89.174 flat angles C4'-P-C4' energy: -82.000 flat angles P-C4'-P energy: -56.134 tors. eta vs tors. theta energy: -108.222 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: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1168.528862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.528862 (E_RNA) where: Base-Base interactions energy: -769.848 where: short stacking energy: -341.338 Base-Backbone interact. energy: 1.072 local terms energy: -399.752778 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -87.295 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -91.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1106.647669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.647669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.647669 (E_RNA) where: Base-Base interactions energy: -739.230 where: short stacking energy: -333.039 Base-Backbone interact. energy: -2.304 local terms energy: -365.113534 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -68.219 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -68.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -931.553915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.553915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.553915 (E_RNA) where: Base-Base interactions energy: -593.067 where: short stacking energy: -257.624 Base-Backbone interact. energy: -0.022 local terms energy: -338.464572 where: bonds (distance) C4'-P energy: -78.046 bonds (distance) P-C4' energy: -75.967 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -47.301 tors. eta vs tors. theta energy: -50.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -656.547336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.547336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.547336 (E_RNA) where: Base-Base interactions energy: -365.681 where: short stacking energy: -179.838 Base-Backbone interact. energy: 5.866 local terms energy: -296.732649 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -83.488 flat angles C4'-P-C4' energy: -73.798 flat angles P-C4'-P energy: -47.354 tors. eta vs tors. theta energy: -14.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1786.297890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.297890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.297890 (E_RNA) where: Base-Base interactions energy: -1255.928 where: short stacking energy: -558.471 Base-Backbone interact. energy: -1.711 local terms energy: -528.659410 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -100.935 flat angles C4'-P-C4' energy: -113.855 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -160.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1745.168128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.168128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.168128 (E_RNA) where: Base-Base interactions energy: -1205.895 where: short stacking energy: -520.975 Base-Backbone interact. energy: -2.042 local terms energy: -537.230243 where: bonds (distance) C4'-P energy: -98.655 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -115.467 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: -156.446 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: 260 Temperature: 1.000000 Total energy: -1638.446850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.446850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.446850 (E_RNA) where: Base-Base interactions energy: -1143.203 where: short stacking energy: -465.432 Base-Backbone interact. energy: -1.649 local terms energy: -493.595068 where: bonds (distance) C4'-P energy: -87.142 bonds (distance) P-C4' energy: -106.777 flat angles C4'-P-C4' energy: -98.756 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -132.783 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: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1544.471112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.471112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.471112 (E_RNA) where: Base-Base interactions energy: -1053.062 where: short stacking energy: -456.137 Base-Backbone interact. energy: 0.705 local terms energy: -492.113674 where: bonds (distance) C4'-P energy: -81.486 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -128.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1502.458673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.458673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.458673 (E_RNA) where: Base-Base interactions energy: -1058.761 where: short stacking energy: -421.637 Base-Backbone interact. energy: 1.027 local terms energy: -444.725246 where: bonds (distance) C4'-P energy: -79.656 bonds (distance) P-C4' energy: -94.233 flat angles C4'-P-C4' energy: -95.575 flat angles P-C4'-P energy: -52.809 tors. eta vs tors. theta energy: -122.451 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: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1377.500538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.500538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.500538 (E_RNA) where: Base-Base interactions energy: -977.824 where: short stacking energy: -407.466 Base-Backbone interact. energy: -1.085 local terms energy: -398.591475 where: bonds (distance) C4'-P energy: -84.612 bonds (distance) P-C4' energy: -72.577 flat angles C4'-P-C4' energy: -93.831 flat angles P-C4'-P energy: -60.286 tors. eta vs tors. theta energy: -87.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1182.596553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.596553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.596553 (E_RNA) where: Base-Base interactions energy: -775.439 where: short stacking energy: -328.781 Base-Backbone interact. energy: -0.528 local terms energy: -406.629430 where: bonds (distance) C4'-P energy: -96.480 bonds (distance) P-C4' energy: -85.534 flat angles C4'-P-C4' energy: -96.349 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: -77.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1088.141383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.141383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.141383 (E_RNA) where: Base-Base interactions energy: -714.448 where: short stacking energy: -324.518 Base-Backbone interact. energy: 0.354 local terms energy: -374.047905 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -50.732 tors. eta vs tors. theta energy: -69.915 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: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -946.961020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.961020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.961020 (E_RNA) where: Base-Base interactions energy: -585.875 where: short stacking energy: -283.500 Base-Backbone interact. energy: 1.365 local terms energy: -362.450611 where: bonds (distance) C4'-P energy: -77.261 bonds (distance) P-C4' energy: -80.053 flat angles C4'-P-C4' energy: -96.692 flat angles P-C4'-P energy: -41.044 tors. eta vs tors. theta energy: -67.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -547.525284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.525284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.525284 (E_RNA) where: Base-Base interactions energy: -247.422 where: short stacking energy: -147.548 Base-Backbone interact. energy: 1.261 local terms energy: -301.364905 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -90.727 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -13.168 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1778.997187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.997187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.997187 (E_RNA) where: Base-Base interactions energy: -1231.772 where: short stacking energy: -547.454 Base-Backbone interact. energy: -1.065 local terms energy: -546.160155 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -105.627 flat angles C4'-P-C4' energy: -105.145 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -171.076 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: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1738.952011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.952011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.952011 (E_RNA) where: Base-Base interactions energy: -1228.294 where: short stacking energy: -529.575 Base-Backbone interact. energy: -2.195 local terms energy: -508.463272 where: bonds (distance) C4'-P energy: -73.405 bonds (distance) P-C4' energy: -82.418 flat angles C4'-P-C4' energy: -113.153 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -155.446 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: 261 Temperature: 1.000000 Total energy: -1628.424370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.424370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.424370 (E_RNA) where: Base-Base interactions energy: -1149.048 where: short stacking energy: -451.215 Base-Backbone interact. energy: -4.174 local terms energy: -475.203014 where: bonds (distance) C4'-P energy: -89.880 bonds (distance) P-C4' energy: -88.015 flat angles C4'-P-C4' energy: -103.533 flat angles P-C4'-P energy: -65.346 tors. eta vs tors. theta energy: -128.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1522.493980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.493980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.493980 (E_RNA) where: Base-Base interactions energy: -1075.116 where: short stacking energy: -462.415 Base-Backbone interact. energy: 2.829 local terms energy: -450.207011 where: bonds (distance) C4'-P energy: -94.417 bonds (distance) P-C4' energy: -73.022 flat angles C4'-P-C4' energy: -102.711 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -113.151 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: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1532.761976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.761976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.761976 (E_RNA) where: Base-Base interactions energy: -1030.506 where: short stacking energy: -444.516 Base-Backbone interact. energy: -3.729 local terms energy: -498.527372 where: bonds (distance) C4'-P energy: -97.012 bonds (distance) P-C4' energy: -93.342 flat angles C4'-P-C4' energy: -111.420 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -127.888 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: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1395.018561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.018561 (E_RNA) where: Base-Base interactions energy: -964.976 where: short stacking energy: -380.838 Base-Backbone interact. energy: -2.211 local terms energy: -427.831672 where: bonds (distance) C4'-P energy: -80.608 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -95.601 flat angles P-C4'-P energy: -62.153 tors. eta vs tors. theta energy: -92.599 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1223.019043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.019043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.019043 (E_RNA) where: Base-Base interactions energy: -783.566 where: short stacking energy: -394.733 Base-Backbone interact. energy: -2.056 local terms energy: -437.396430 where: bonds (distance) C4'-P energy: -82.384 bonds (distance) P-C4' energy: -90.547 flat angles C4'-P-C4' energy: -105.819 flat angles P-C4'-P energy: -66.639 tors. eta vs tors. theta energy: -92.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1114.375829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.375829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.375829 (E_RNA) where: Base-Base interactions energy: -725.508 where: short stacking energy: -330.183 Base-Backbone interact. energy: -2.818 local terms energy: -386.049567 where: bonds (distance) C4'-P energy: -73.466 bonds (distance) P-C4' energy: -95.257 flat angles C4'-P-C4' energy: -86.953 flat angles P-C4'-P energy: -53.253 tors. eta vs tors. theta energy: -77.122 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: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -889.148033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.148033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.148033 (E_RNA) where: Base-Base interactions energy: -554.441 where: short stacking energy: -255.446 Base-Backbone interact. energy: -0.247 local terms energy: -334.459376 where: bonds (distance) C4'-P energy: -82.435 bonds (distance) P-C4' energy: -87.764 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -31.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -589.778515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.778515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.778515 (E_RNA) where: Base-Base interactions energy: -313.956 where: short stacking energy: -182.600 Base-Backbone interact. energy: 2.966 local terms energy: -278.788175 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -85.867 flat angles C4'-P-C4' energy: -67.155 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: -11.614 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: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1765.500406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.500406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.500406 (E_RNA) where: Base-Base interactions energy: -1208.446 where: short stacking energy: -538.429 Base-Backbone interact. energy: 1.709 local terms energy: -558.762996 where: bonds (distance) C4'-P energy: -100.431 bonds (distance) P-C4' energy: -99.327 flat angles C4'-P-C4' energy: -117.181 flat angles P-C4'-P energy: -81.343 tors. eta vs tors. theta energy: -160.481 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: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1769.027170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.027170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.027170 (E_RNA) where: Base-Base interactions energy: -1237.783 where: short stacking energy: -528.471 Base-Backbone interact. energy: -3.139 local terms energy: -528.104810 where: bonds (distance) C4'-P energy: -90.412 bonds (distance) P-C4' energy: -104.819 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -152.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1643.261689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.261689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.261689 (E_RNA) where: Base-Base interactions energy: -1159.740 where: short stacking energy: -459.205 Base-Backbone interact. energy: -3.339 local terms energy: -480.182735 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -92.415 flat angles C4'-P-C4' energy: -110.632 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -121.729 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: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1532.284777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.284777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.284777 (E_RNA) where: Base-Base interactions energy: -1080.826 where: short stacking energy: -485.952 Base-Backbone interact. energy: 0.252 local terms energy: -451.710519 where: bonds (distance) C4'-P energy: -79.589 bonds (distance) P-C4' energy: -96.878 flat angles C4'-P-C4' energy: -90.280 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -125.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1513.106228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.106228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.106228 (E_RNA) where: Base-Base interactions energy: -1047.134 where: short stacking energy: -446.030 Base-Backbone interact. energy: 0.838 local terms energy: -466.810196 where: bonds (distance) C4'-P energy: -72.634 bonds (distance) P-C4' energy: -94.643 flat angles C4'-P-C4' energy: -109.301 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -127.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1361.750066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.750066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.750066 (E_RNA) where: Base-Base interactions energy: -954.891 where: short stacking energy: -378.248 Base-Backbone interact. energy: -2.152 local terms energy: -404.707049 where: bonds (distance) C4'-P energy: -92.367 bonds (distance) P-C4' energy: -89.396 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -83.162 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: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1129.788545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.788545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.788545 (E_RNA) where: Base-Base interactions energy: -762.523 where: short stacking energy: -326.216 Base-Backbone interact. energy: -1.825 local terms energy: -365.440132 where: bonds (distance) C4'-P energy: -67.533 bonds (distance) P-C4' energy: -75.880 flat angles C4'-P-C4' energy: -86.658 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -76.296 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: 262 Temperature: 1.250000 Total energy: -1133.016947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.016947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.016947 (E_RNA) where: Base-Base interactions energy: -752.762 where: short stacking energy: -335.910 Base-Backbone interact. energy: 1.583 local terms energy: -381.838270 where: bonds (distance) C4'-P energy: -89.645 bonds (distance) P-C4' energy: -82.295 flat angles C4'-P-C4' energy: -83.754 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -75.513 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: 262 Temperature: 1.300000 Total energy: -899.154604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.154604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.154604 (E_RNA) where: Base-Base interactions energy: -564.262 where: short stacking energy: -258.199 Base-Backbone interact. energy: -1.894 local terms energy: -332.998381 where: bonds (distance) C4'-P energy: -80.689 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -50.307 tors. eta vs tors. theta energy: -46.880 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: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -590.810145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.810145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.810145 (E_RNA) where: Base-Base interactions energy: -272.035 where: short stacking energy: -150.993 Base-Backbone interact. energy: -2.587 local terms energy: -316.187860 where: bonds (distance) C4'-P energy: -91.194 bonds (distance) P-C4' energy: -95.231 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -33.326 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1771.149107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.149107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.149107 (E_RNA) where: Base-Base interactions energy: -1211.550 where: short stacking energy: -538.235 Base-Backbone interact. energy: -1.739 local terms energy: -557.860034 where: bonds (distance) C4'-P energy: -104.060 bonds (distance) P-C4' energy: -97.269 flat angles C4'-P-C4' energy: -113.004 flat angles P-C4'-P energy: -84.769 tors. eta vs tors. theta energy: -158.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1746.100430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.100430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.100430 (E_RNA) where: Base-Base interactions energy: -1244.017 where: short stacking energy: -524.817 Base-Backbone interact. energy: -0.978 local terms energy: -501.104707 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -77.333 flat angles C4'-P-C4' energy: -113.089 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -151.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1645.583429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.583429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.583429 (E_RNA) where: Base-Base interactions energy: -1140.835 where: short stacking energy: -451.175 Base-Backbone interact. energy: -3.188 local terms energy: -501.561256 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -104.041 flat angles C4'-P-C4' energy: -103.760 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -128.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1587.253536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.253536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.253536 (E_RNA) where: Base-Base interactions energy: -1105.460 where: short stacking energy: -462.844 Base-Backbone interact. energy: 1.152 local terms energy: -482.945188 where: bonds (distance) C4'-P energy: -82.489 bonds (distance) P-C4' energy: -90.049 flat angles C4'-P-C4' energy: -109.484 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -130.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1509.874097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.874097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.874097 (E_RNA) where: Base-Base interactions energy: -1049.569 where: short stacking energy: -433.485 Base-Backbone interact. energy: -1.026 local terms energy: -459.279458 where: bonds (distance) C4'-P energy: -89.978 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -104.533 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -115.025 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: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1387.832230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.832230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.832230 (E_RNA) where: Base-Base interactions energy: -969.153 where: short stacking energy: -371.425 Base-Backbone interact. energy: -4.456 local terms energy: -414.223633 where: bonds (distance) C4'-P energy: -75.517 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -55.834 tors. eta vs tors. theta energy: -95.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1126.546593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.546593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.546593 (E_RNA) where: Base-Base interactions energy: -746.074 where: short stacking energy: -333.137 Base-Backbone interact. energy: -1.226 local terms energy: -379.247123 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -88.177 flat angles C4'-P-C4' energy: -88.564 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -72.922 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: 263 Temperature: 1.250000 Total energy: -1089.702532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.702532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.702532 (E_RNA) where: Base-Base interactions energy: -722.337 where: short stacking energy: -322.907 Base-Backbone interact. energy: -1.020 local terms energy: -366.345314 where: bonds (distance) C4'-P energy: -70.634 bonds (distance) P-C4' energy: -87.976 flat angles C4'-P-C4' energy: -84.095 flat angles P-C4'-P energy: -60.407 tors. eta vs tors. theta energy: -63.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -924.969233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.969233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.969233 (E_RNA) where: Base-Base interactions energy: -582.240 where: short stacking energy: -281.800 Base-Backbone interact. energy: 0.553 local terms energy: -343.281727 where: bonds (distance) C4'-P energy: -84.070 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -78.112 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -60.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -624.917894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.917894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.917894 (E_RNA) where: Base-Base interactions energy: -344.953 where: short stacking energy: -202.714 Base-Backbone interact. energy: 10.247 local terms energy: -290.212052 where: bonds (distance) C4'-P energy: -80.903 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -78.655 flat angles P-C4'-P energy: -21.374 tors. eta vs tors. theta energy: -18.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1768.095682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.095682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.095682 (E_RNA) where: Base-Base interactions energy: -1239.190 where: short stacking energy: -553.615 Base-Backbone interact. energy: -2.142 local terms energy: -526.763856 where: bonds (distance) C4'-P energy: -98.624 bonds (distance) P-C4' energy: -98.892 flat angles C4'-P-C4' energy: -110.047 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -155.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1754.352904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.352904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.352904 (E_RNA) where: Base-Base interactions energy: -1219.525 where: short stacking energy: -532.282 Base-Backbone interact. energy: -0.372 local terms energy: -534.456035 where: bonds (distance) C4'-P energy: -86.766 bonds (distance) P-C4' energy: -94.019 flat angles C4'-P-C4' energy: -123.257 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -160.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1639.487619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.487619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.487619 (E_RNA) where: Base-Base interactions energy: -1155.149 where: short stacking energy: -453.282 Base-Backbone interact. energy: -4.064 local terms energy: -480.274687 where: bonds (distance) C4'-P energy: -89.037 bonds (distance) P-C4' energy: -95.965 flat angles C4'-P-C4' energy: -102.778 flat angles P-C4'-P energy: -62.010 tors. eta vs tors. theta energy: -130.484 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: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1592.821101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.821101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.821101 (E_RNA) where: Base-Base interactions energy: -1101.911 where: short stacking energy: -467.020 Base-Backbone interact. energy: 0.859 local terms energy: -491.769017 where: bonds (distance) C4'-P energy: -93.182 bonds (distance) P-C4' energy: -98.493 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -60.152 tors. eta vs tors. theta energy: -139.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1452.701353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.701353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.701353 (E_RNA) where: Base-Base interactions energy: -990.679 where: short stacking energy: -416.707 Base-Backbone interact. energy: 0.840 local terms energy: -462.862006 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -98.965 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -108.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1371.734974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.734974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.734974 (E_RNA) where: Base-Base interactions energy: -942.370 where: short stacking energy: -378.542 Base-Backbone interact. energy: -3.231 local terms energy: -426.134900 where: bonds (distance) C4'-P energy: -90.545 bonds (distance) P-C4' energy: -98.977 flat angles C4'-P-C4' energy: -89.939 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -89.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1132.513024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.513024 (E_RNA) where: Base-Base interactions energy: -740.443 where: short stacking energy: -333.444 Base-Backbone interact. energy: -2.519 local terms energy: -389.551079 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -81.278 flat angles C4'-P-C4' energy: -86.020 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -78.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1052.877011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.877011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.877011 (E_RNA) where: Base-Base interactions energy: -702.749 where: short stacking energy: -322.472 Base-Backbone interact. energy: -0.961 local terms energy: -349.166617 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -93.032 flat angles P-C4'-P energy: -45.218 tors. eta vs tors. theta energy: -70.872 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: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -845.273360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.273360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.273360 (E_RNA) where: Base-Base interactions energy: -515.882 where: short stacking energy: -247.979 Base-Backbone interact. energy: -0.461 local terms energy: -328.930223 where: bonds (distance) C4'-P energy: -71.041 bonds (distance) P-C4' energy: -80.517 flat angles C4'-P-C4' energy: -82.371 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -39.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -618.754999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.754999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.754999 (E_RNA) where: Base-Base interactions energy: -344.455 where: short stacking energy: -160.579 Base-Backbone interact. energy: 2.973 local terms energy: -277.272952 where: bonds (distance) C4'-P energy: -78.138 bonds (distance) P-C4' energy: -83.094 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -57.403 tors. eta vs tors. theta energy: 12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1766.494968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.494968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.494968 (E_RNA) where: Base-Base interactions energy: -1221.957 where: short stacking energy: -551.384 Base-Backbone interact. energy: -2.626 local terms energy: -541.912402 where: bonds (distance) C4'-P energy: -96.250 bonds (distance) P-C4' energy: -99.486 flat angles C4'-P-C4' energy: -108.081 flat angles P-C4'-P energy: -76.654 tors. eta vs tors. theta energy: -161.442 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: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1737.046464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.046464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.046464 (E_RNA) where: Base-Base interactions energy: -1205.557 where: short stacking energy: -519.551 Base-Backbone interact. energy: -3.370 local terms energy: -528.120230 where: bonds (distance) C4'-P energy: -96.454 bonds (distance) P-C4' energy: -100.456 flat angles C4'-P-C4' energy: -108.451 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -149.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1628.856639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.856639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.856639 (E_RNA) where: Base-Base interactions energy: -1139.880 where: short stacking energy: -455.556 Base-Backbone interact. energy: -3.573 local terms energy: -485.403604 where: bonds (distance) C4'-P energy: -92.941 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -105.433 flat angles P-C4'-P energy: -70.382 tors. eta vs tors. theta energy: -127.388 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: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1595.067164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.067164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.067164 (E_RNA) where: Base-Base interactions energy: -1112.611 where: short stacking energy: -490.445 Base-Backbone interact. energy: -1.869 local terms energy: -480.587591 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -99.744 flat angles C4'-P-C4' energy: -100.148 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -136.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1499.855622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.855622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.855622 (E_RNA) where: Base-Base interactions energy: -1054.372 where: short stacking energy: -436.549 Base-Backbone interact. energy: -1.405 local terms energy: -444.078777 where: bonds (distance) C4'-P energy: -82.017 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -99.500 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -112.458 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: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1376.191205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.191205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.191205 (E_RNA) where: Base-Base interactions energy: -938.845 where: short stacking energy: -395.036 Base-Backbone interact. energy: -2.371 local terms energy: -434.974645 where: bonds (distance) C4'-P energy: -84.019 bonds (distance) P-C4' energy: -100.111 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -97.772 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1126.705731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.705731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.705731 (E_RNA) where: Base-Base interactions energy: -724.343 where: short stacking energy: -304.429 Base-Backbone interact. energy: -0.295 local terms energy: -402.067723 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -82.070 flat angles P-C4'-P energy: -65.170 tors. eta vs tors. theta energy: -73.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1148.403644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.403644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.403644 (E_RNA) where: Base-Base interactions energy: -759.217 where: short stacking energy: -330.915 Base-Backbone interact. energy: 1.514 local terms energy: -390.701230 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -76.448 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -57.622 tors. eta vs tors. theta energy: -73.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -823.625738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.625738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.625738 (E_RNA) where: Base-Base interactions energy: -506.148 where: short stacking energy: -223.470 Base-Backbone interact. energy: -2.773 local terms energy: -314.704715 where: bonds (distance) C4'-P energy: -81.758 bonds (distance) P-C4' energy: -91.313 flat angles C4'-P-C4' energy: -79.449 flat angles P-C4'-P energy: -36.192 tors. eta vs tors. theta energy: -25.993 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: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -641.155519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.155519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.155519 (E_RNA) where: Base-Base interactions energy: -346.005 where: short stacking energy: -188.672 Base-Backbone interact. energy: -1.557 local terms energy: -293.593634 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -35.005 tors. eta vs tors. theta energy: -14.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1792.539947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.539947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.539947 (E_RNA) where: Base-Base interactions energy: -1233.325 where: short stacking energy: -541.841 Base-Backbone interact. energy: -2.852 local terms energy: -556.362637 where: bonds (distance) C4'-P energy: -98.181 bonds (distance) P-C4' energy: -109.977 flat angles C4'-P-C4' energy: -113.068 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -172.708 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1781.426491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.426491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.426491 (E_RNA) where: Base-Base interactions energy: -1260.613 where: short stacking energy: -562.349 Base-Backbone interact. energy: -1.713 local terms energy: -519.100479 where: bonds (distance) C4'-P energy: -78.569 bonds (distance) P-C4' energy: -98.300 flat angles C4'-P-C4' energy: -111.555 flat angles P-C4'-P energy: -60.291 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: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1629.151046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.151046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.151046 (E_RNA) where: Base-Base interactions energy: -1140.846 where: short stacking energy: -454.497 Base-Backbone interact. energy: -0.111 local terms energy: -488.194057 where: bonds (distance) C4'-P energy: -93.991 bonds (distance) P-C4' energy: -99.858 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -129.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1615.807932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.807932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.807932 (E_RNA) where: Base-Base interactions energy: -1131.242 where: short stacking energy: -470.218 Base-Backbone interact. energy: -4.712 local terms energy: -479.853265 where: bonds (distance) C4'-P energy: -73.057 bonds (distance) P-C4' energy: -93.947 flat angles C4'-P-C4' energy: -110.598 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: -132.209 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: 266 Temperature: 1.100000 Total energy: -1489.760338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.760338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.760338 (E_RNA) where: Base-Base interactions energy: -1022.193 where: short stacking energy: -447.470 Base-Backbone interact. energy: -3.526 local terms energy: -464.042148 where: bonds (distance) C4'-P energy: -97.460 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -99.619 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -118.403 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: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1405.710326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.710326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.710326 (E_RNA) where: Base-Base interactions energy: -979.055 where: short stacking energy: -414.820 Base-Backbone interact. energy: -3.733 local terms energy: -422.922527 where: bonds (distance) C4'-P energy: -89.357 bonds (distance) P-C4' energy: -81.995 flat angles C4'-P-C4' energy: -85.627 flat angles P-C4'-P energy: -64.688 tors. eta vs tors. theta energy: -101.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1168.155498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.155498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.155498 (E_RNA) where: Base-Base interactions energy: -756.147 where: short stacking energy: -344.424 Base-Backbone interact. energy: -1.157 local terms energy: -410.850966 where: bonds (distance) C4'-P energy: -85.900 bonds (distance) P-C4' energy: -80.976 flat angles C4'-P-C4' energy: -96.426 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -91.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1187.448096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.448096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.448096 (E_RNA) where: Base-Base interactions energy: -814.850 where: short stacking energy: -366.551 Base-Backbone interact. energy: -1.926 local terms energy: -370.672095 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -74.413 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -68.202 tors. eta vs tors. theta energy: -83.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -859.926401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.926401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.926401 (E_RNA) where: Base-Base interactions energy: -520.005 where: short stacking energy: -243.002 Base-Backbone interact. energy: -1.660 local terms energy: -338.261841 where: bonds (distance) C4'-P energy: -85.193 bonds (distance) P-C4' energy: -86.562 flat angles C4'-P-C4' energy: -89.206 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -30.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -647.994587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.994587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.994587 (E_RNA) where: Base-Base interactions energy: -351.495 where: short stacking energy: -168.328 Base-Backbone interact. energy: -1.350 local terms energy: -295.149421 where: bonds (distance) C4'-P energy: -61.887 bonds (distance) P-C4' energy: -76.805 flat angles C4'-P-C4' energy: -91.304 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -15.588 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: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1790.397246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.397246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.397246 (E_RNA) where: Base-Base interactions energy: -1228.837 where: short stacking energy: -542.577 Base-Backbone interact. energy: -0.661 local terms energy: -560.899242 where: bonds (distance) C4'-P energy: -99.353 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -116.027 flat angles P-C4'-P energy: -88.715 tors. eta vs tors. theta energy: -165.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1770.794654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.794654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.794654 (E_RNA) where: Base-Base interactions energy: -1246.414 where: short stacking energy: -528.490 Base-Backbone interact. energy: 0.965 local terms energy: -525.345405 where: bonds (distance) C4'-P energy: -101.198 bonds (distance) P-C4' energy: -83.174 flat angles C4'-P-C4' energy: -107.987 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -159.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1628.874765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.874765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.874765 (E_RNA) where: Base-Base interactions energy: -1141.426 where: short stacking energy: -485.787 Base-Backbone interact. energy: -1.690 local terms energy: -485.759073 where: bonds (distance) C4'-P energy: -84.318 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -104.781 flat angles P-C4'-P energy: -63.626 tors. eta vs tors. theta energy: -138.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1595.040989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.040989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.040989 (E_RNA) where: Base-Base interactions energy: -1101.694 where: short stacking energy: -454.820 Base-Backbone interact. energy: 0.099 local terms energy: -493.446000 where: bonds (distance) C4'-P energy: -80.814 bonds (distance) P-C4' energy: -96.656 flat angles C4'-P-C4' energy: -114.042 flat angles P-C4'-P energy: -66.016 tors. eta vs tors. theta energy: -135.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1468.496543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.496543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.496543 (E_RNA) where: Base-Base interactions energy: -1007.415 where: short stacking energy: -428.090 Base-Backbone interact. energy: -2.870 local terms energy: -458.211219 where: bonds (distance) C4'-P energy: -80.820 bonds (distance) P-C4' energy: -95.612 flat angles C4'-P-C4' energy: -105.256 flat angles P-C4'-P energy: -59.518 tors. eta vs tors. theta energy: -117.005 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1385.053296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.053296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.053296 (E_RNA) where: Base-Base interactions energy: -964.741 where: short stacking energy: -404.226 Base-Backbone interact. energy: -1.831 local terms energy: -418.481157 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -83.996 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -105.178 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: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1131.612181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.612181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.612181 (E_RNA) where: Base-Base interactions energy: -745.196 where: short stacking energy: -331.316 Base-Backbone interact. energy: -1.291 local terms energy: -385.125182 where: bonds (distance) C4'-P energy: -66.920 bonds (distance) P-C4' energy: -83.608 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -84.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1162.894569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.894569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.894569 (E_RNA) where: Base-Base interactions energy: -788.607 where: short stacking energy: -344.819 Base-Backbone interact. energy: 6.055 local terms energy: -380.342518 where: bonds (distance) C4'-P energy: -70.291 bonds (distance) P-C4' energy: -88.880 flat angles C4'-P-C4' energy: -85.525 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -77.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -891.484760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.484760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.484760 (E_RNA) where: Base-Base interactions energy: -565.815 where: short stacking energy: -261.764 Base-Backbone interact. energy: -2.202 local terms energy: -323.467750 where: bonds (distance) C4'-P energy: -60.543 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -69.504 flat angles P-C4'-P energy: -60.280 tors. eta vs tors. theta energy: -49.359 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: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -674.668640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.668640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.668640 (E_RNA) where: Base-Base interactions energy: -372.882 where: short stacking energy: -199.276 Base-Backbone interact. energy: 0.063 local terms energy: -301.850101 where: bonds (distance) C4'-P energy: -52.716 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -90.642 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -23.621 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: 268 Temperature: 0.900000 Total energy: -1788.569680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.569680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.569680 (E_RNA) where: Base-Base interactions energy: -1227.995 where: short stacking energy: -544.595 Base-Backbone interact. energy: 0.044 local terms energy: -560.618889 where: bonds (distance) C4'-P energy: -99.957 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -115.214 flat angles P-C4'-P energy: -73.244 tors. eta vs tors. theta energy: -162.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1768.444512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.444512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.444512 (E_RNA) where: Base-Base interactions energy: -1229.770 where: short stacking energy: -526.840 Base-Backbone interact. energy: -1.802 local terms energy: -536.871925 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -83.159 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -77.243 tors. eta vs tors. theta energy: -159.751 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: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1622.845413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.845413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.845413 (E_RNA) where: Base-Base interactions energy: -1134.046 where: short stacking energy: -497.219 Base-Backbone interact. energy: -1.683 local terms energy: -487.116229 where: bonds (distance) C4'-P energy: -89.473 bonds (distance) P-C4' energy: -76.992 flat angles C4'-P-C4' energy: -110.460 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -138.851 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: 268 Temperature: 1.050000 Total energy: -1534.252465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.252465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.252465 (E_RNA) where: Base-Base interactions energy: -1101.447 where: short stacking energy: -448.976 Base-Backbone interact. energy: 4.060 local terms energy: -436.865412 where: bonds (distance) C4'-P energy: -84.304 bonds (distance) P-C4' energy: -81.254 flat angles C4'-P-C4' energy: -100.210 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1474.683739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.683739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.683739 (E_RNA) where: Base-Base interactions energy: -1002.635 where: short stacking energy: -421.083 Base-Backbone interact. energy: -1.808 local terms energy: -470.241302 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -91.012 flat angles C4'-P-C4' energy: -105.904 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: -115.125 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: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1371.116047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.116047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.116047 (E_RNA) where: Base-Base interactions energy: -950.388 where: short stacking energy: -399.964 Base-Backbone interact. energy: -0.660 local terms energy: -420.067994 where: bonds (distance) C4'-P energy: -67.050 bonds (distance) P-C4' energy: -89.350 flat angles C4'-P-C4' energy: -93.158 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -106.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1162.979156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.979156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.979156 (E_RNA) where: Base-Base interactions energy: -772.315 where: short stacking energy: -343.602 Base-Backbone interact. energy: -1.461 local terms energy: -389.202847 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -84.810 flat angles C4'-P-C4' energy: -93.971 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: -82.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1048.487613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.487613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.487613 (E_RNA) where: Base-Base interactions energy: -701.516 where: short stacking energy: -328.871 Base-Backbone interact. energy: -2.507 local terms energy: -344.464881 where: bonds (distance) C4'-P energy: -69.702 bonds (distance) P-C4' energy: -83.998 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -63.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -838.974500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.974500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.974500 (E_RNA) where: Base-Base interactions energy: -529.396 where: short stacking energy: -234.381 Base-Backbone interact. energy: -1.020 local terms energy: -308.558526 where: bonds (distance) C4'-P energy: -69.848 bonds (distance) P-C4' energy: -74.105 flat angles C4'-P-C4' energy: -85.417 flat angles P-C4'-P energy: -45.038 tors. eta vs tors. theta energy: -34.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -618.745355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.745355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.745355 (E_RNA) where: Base-Base interactions energy: -349.973 where: short stacking energy: -181.702 Base-Backbone interact. energy: -2.454 local terms energy: -266.318837 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -59.608 flat angles P-C4'-P energy: -28.447 tors. eta vs tors. theta energy: -12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1777.763047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.763047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.763047 (E_RNA) where: Base-Base interactions energy: -1224.745 where: short stacking energy: -540.100 Base-Backbone interact. energy: -3.689 local terms energy: -549.329184 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -94.509 flat angles C4'-P-C4' energy: -110.993 flat angles P-C4'-P energy: -86.320 tors. eta vs tors. theta energy: -157.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1758.382184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.382184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.382184 (E_RNA) where: Base-Base interactions energy: -1211.031 where: short stacking energy: -510.580 Base-Backbone interact. energy: -3.865 local terms energy: -543.485710 where: bonds (distance) C4'-P energy: -89.610 bonds (distance) P-C4' energy: -108.668 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -80.630 tors. eta vs tors. theta energy: -149.750 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: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1664.720991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.720991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.720991 (E_RNA) where: Base-Base interactions energy: -1170.830 where: short stacking energy: -488.421 Base-Backbone interact. energy: -2.419 local terms energy: -491.471959 where: bonds (distance) C4'-P energy: -92.598 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -107.060 flat angles P-C4'-P energy: -55.202 tors. eta vs tors. theta energy: -146.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1541.660248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.660248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.660248 (E_RNA) where: Base-Base interactions energy: -1077.906 where: short stacking energy: -449.540 Base-Backbone interact. energy: -3.638 local terms energy: -460.116645 where: bonds (distance) C4'-P energy: -103.892 bonds (distance) P-C4' energy: -85.318 flat angles C4'-P-C4' energy: -101.729 flat angles P-C4'-P energy: -54.684 tors. eta vs tors. theta energy: -114.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1479.459278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.459278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.459278 (E_RNA) where: Base-Base interactions energy: -1048.066 where: short stacking energy: -437.095 Base-Backbone interact. energy: 0.088 local terms energy: -431.481413 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -84.006 flat angles C4'-P-C4' energy: -84.870 flat angles P-C4'-P energy: -58.484 tors. eta vs tors. theta energy: -116.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1365.715847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.715847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.715847 (E_RNA) where: Base-Base interactions energy: -962.338 where: short stacking energy: -372.063 Base-Backbone interact. energy: -1.015 local terms energy: -402.362556 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -93.760 flat angles C4'-P-C4' energy: -99.290 flat angles P-C4'-P energy: -54.085 tors. eta vs tors. theta energy: -88.387 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: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1223.566358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.566358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.566358 (E_RNA) where: Base-Base interactions energy: -820.459 where: short stacking energy: -361.194 Base-Backbone interact. energy: 1.590 local terms energy: -404.697972 where: bonds (distance) C4'-P energy: -79.935 bonds (distance) P-C4' energy: -75.559 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -53.653 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: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1007.248390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.248390 (E_RNA) where: Base-Base interactions energy: -632.121 where: short stacking energy: -300.466 Base-Backbone interact. energy: -1.361 local terms energy: -373.766700 where: bonds (distance) C4'-P energy: -74.327 bonds (distance) P-C4' energy: -87.164 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -52.710 tors. eta vs tors. theta energy: -67.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -872.456098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.456098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.456098 (E_RNA) where: Base-Base interactions energy: -577.295 where: short stacking energy: -269.547 Base-Backbone interact. energy: 1.107 local terms energy: -296.267690 where: bonds (distance) C4'-P energy: -76.264 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -69.428 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -41.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -667.027856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.027856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.027856 (E_RNA) where: Base-Base interactions energy: -374.945 where: short stacking energy: -173.735 Base-Backbone interact. energy: 0.670 local terms energy: -292.752149 where: bonds (distance) C4'-P energy: -81.760 bonds (distance) P-C4' energy: -88.211 flat angles C4'-P-C4' energy: -68.325 flat angles P-C4'-P energy: -43.704 tors. eta vs tors. theta energy: -10.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1802.844755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.844755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.844755 (E_RNA) where: Base-Base interactions energy: -1226.814 where: short stacking energy: -549.732 Base-Backbone interact. energy: -3.217 local terms energy: -572.814115 where: bonds (distance) C4'-P energy: -102.252 bonds (distance) P-C4' energy: -108.758 flat angles C4'-P-C4' energy: -116.705 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -163.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1746.264092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.264092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.264092 (E_RNA) where: Base-Base interactions energy: -1217.735 where: short stacking energy: -522.004 Base-Backbone interact. energy: -1.639 local terms energy: -526.890614 where: bonds (distance) C4'-P energy: -103.503 bonds (distance) P-C4' energy: -86.836 flat angles C4'-P-C4' energy: -104.665 flat angles P-C4'-P energy: -80.992 tors. eta vs tors. theta energy: -150.894 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: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1700.586682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.586682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.586682 (E_RNA) where: Base-Base interactions energy: -1188.256 where: short stacking energy: -504.594 Base-Backbone interact. energy: -1.137 local terms energy: -511.193764 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -102.222 flat angles C4'-P-C4' energy: -114.213 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -136.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1542.016681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.016681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.016681 (E_RNA) where: Base-Base interactions energy: -1070.081 where: short stacking energy: -410.135 Base-Backbone interact. energy: -1.831 local terms energy: -470.104538 where: bonds (distance) C4'-P energy: -96.665 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -101.250 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -109.802 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: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1533.282860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.282860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.282860 (E_RNA) where: Base-Base interactions energy: -1063.396 where: short stacking energy: -425.848 Base-Backbone interact. energy: -2.902 local terms energy: -466.985393 where: bonds (distance) C4'-P energy: -83.184 bonds (distance) P-C4' energy: -91.051 flat angles C4'-P-C4' energy: -105.537 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -122.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1392.971904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.971904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.971904 (E_RNA) where: Base-Base interactions energy: -969.058 where: short stacking energy: -390.735 Base-Backbone interact. energy: -1.136 local terms energy: -422.778601 where: bonds (distance) C4'-P energy: -82.264 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -98.564 flat angles P-C4'-P energy: -73.252 tors. eta vs tors. theta energy: -88.171 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: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1218.346310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.346310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.346310 (E_RNA) where: Base-Base interactions energy: -835.785 where: short stacking energy: -369.877 Base-Backbone interact. energy: -0.798 local terms energy: -381.762900 where: bonds (distance) C4'-P energy: -75.871 bonds (distance) P-C4' energy: -81.582 flat angles C4'-P-C4' energy: -97.198 flat angles P-C4'-P energy: -38.458 tors. eta vs tors. theta energy: -88.655 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: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -970.433443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.433443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.433443 (E_RNA) where: Base-Base interactions energy: -608.932 where: short stacking energy: -281.516 Base-Backbone interact. energy: -0.735 local terms energy: -360.765924 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -53.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -866.120576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.120576 (E_RNA) where: Base-Base interactions energy: -533.744 where: short stacking energy: -258.801 Base-Backbone interact. energy: -1.213 local terms energy: -331.163435 where: bonds (distance) C4'-P energy: -79.657 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -84.146 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -41.816 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: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -658.248910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.248910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.248910 (E_RNA) where: Base-Base interactions energy: -374.892 where: short stacking energy: -206.538 Base-Backbone interact. energy: -1.287 local terms energy: -282.069518 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -61.790 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: -23.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1801.938634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.938634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.938634 (E_RNA) where: Base-Base interactions energy: -1239.669 where: short stacking energy: -555.453 Base-Backbone interact. energy: 0.833 local terms energy: -563.102737 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -112.408 flat angles C4'-P-C4' energy: -113.277 flat angles P-C4'-P energy: -81.761 tors. eta vs tors. theta energy: -172.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1698.132738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.132738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.132738 (E_RNA) where: Base-Base interactions energy: -1208.743 where: short stacking energy: -490.063 Base-Backbone interact. energy: 0.826 local terms energy: -490.216066 where: bonds (distance) C4'-P energy: -81.122 bonds (distance) P-C4' energy: -97.101 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -136.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1733.494676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.494676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.494676 (E_RNA) where: Base-Base interactions energy: -1223.179 where: short stacking energy: -500.750 Base-Backbone interact. energy: -4.064 local terms energy: -506.252291 where: bonds (distance) C4'-P energy: -106.148 bonds (distance) P-C4' energy: -82.457 flat angles C4'-P-C4' energy: -108.597 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -150.350 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1580.486418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.486418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.486418 (E_RNA) where: Base-Base interactions energy: -1094.963 where: short stacking energy: -442.397 Base-Backbone interact. energy: -1.529 local terms energy: -483.994314 where: bonds (distance) C4'-P energy: -94.354 bonds (distance) P-C4' energy: -107.273 flat angles C4'-P-C4' energy: -106.978 flat angles P-C4'-P energy: -57.414 tors. eta vs tors. theta energy: -117.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1488.386128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.386128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.386128 (E_RNA) where: Base-Base interactions energy: -1035.541 where: short stacking energy: -417.968 Base-Backbone interact. energy: 0.101 local terms energy: -452.945950 where: bonds (distance) C4'-P energy: -85.563 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -102.786 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -110.825 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: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1420.898626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.898626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.898626 (E_RNA) where: Base-Base interactions energy: -980.409 where: short stacking energy: -402.934 Base-Backbone interact. energy: -3.037 local terms energy: -437.452369 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -81.736 flat angles C4'-P-C4' energy: -108.857 flat angles P-C4'-P energy: -65.441 tors. eta vs tors. theta energy: -91.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1189.811677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.811677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.811677 (E_RNA) where: Base-Base interactions energy: -782.690 where: short stacking energy: -351.685 Base-Backbone interact. energy: 1.533 local terms energy: -408.654531 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -82.645 flat angles C4'-P-C4' energy: -97.820 flat angles P-C4'-P energy: -57.430 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: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -949.559738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.559738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.559738 (E_RNA) where: Base-Base interactions energy: -597.107 where: short stacking energy: -276.936 Base-Backbone interact. energy: -0.123 local terms energy: -352.329614 where: bonds (distance) C4'-P energy: -92.457 bonds (distance) P-C4' energy: -73.161 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -39.607 tors. eta vs tors. theta energy: -63.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -807.315526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.315526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.315526 (E_RNA) where: Base-Base interactions energy: -472.452 where: short stacking energy: -228.714 Base-Backbone interact. energy: -1.500 local terms energy: -333.363181 where: bonds (distance) C4'-P energy: -67.335 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -95.291 flat angles P-C4'-P energy: -58.933 tors. eta vs tors. theta energy: -23.895 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: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -682.944101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.944101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.944101 (E_RNA) where: Base-Base interactions energy: -407.678 where: short stacking energy: -197.768 Base-Backbone interact. energy: 0.401 local terms energy: -275.666739 where: bonds (distance) C4'-P energy: -52.902 bonds (distance) P-C4' energy: -74.426 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -21.480 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: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1779.823464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.823464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.823464 (E_RNA) where: Base-Base interactions energy: -1243.472 where: short stacking energy: -539.516 Base-Backbone interact. energy: -3.073 local terms energy: -533.279128 where: bonds (distance) C4'-P energy: -91.650 bonds (distance) P-C4' energy: -95.623 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -67.901 tors. eta vs tors. theta energy: -163.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1703.140843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.140843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.140843 (E_RNA) where: Base-Base interactions energy: -1196.544 where: short stacking energy: -473.795 Base-Backbone interact. energy: -2.259 local terms energy: -504.337378 where: bonds (distance) C4'-P energy: -100.870 bonds (distance) P-C4' energy: -94.428 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -69.313 tors. eta vs tors. theta energy: -138.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1733.355067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.355067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.355067 (E_RNA) where: Base-Base interactions energy: -1212.827 where: short stacking energy: -518.503 Base-Backbone interact. energy: -2.703 local terms energy: -517.825501 where: bonds (distance) C4'-P energy: -91.368 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -67.171 tors. eta vs tors. theta energy: -155.149 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: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1569.285501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.285501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.285501 (E_RNA) where: Base-Base interactions energy: -1099.070 where: short stacking energy: -441.047 Base-Backbone interact. energy: -1.942 local terms energy: -468.273707 where: bonds (distance) C4'-P energy: -90.487 bonds (distance) P-C4' energy: -91.944 flat angles C4'-P-C4' energy: -99.977 flat angles P-C4'-P energy: -65.362 tors. eta vs tors. theta energy: -120.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1487.249311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.249311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.249311 (E_RNA) where: Base-Base interactions energy: -1045.190 where: short stacking energy: -442.204 Base-Backbone interact. energy: 0.781 local terms energy: -442.840267 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -90.167 flat angles C4'-P-C4' energy: -108.342 flat angles P-C4'-P energy: -42.292 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: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1441.482844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.482844 (E_RNA) where: Base-Base interactions energy: -1011.791 where: short stacking energy: -406.963 Base-Backbone interact. energy: -4.337 local terms energy: -425.355223 where: bonds (distance) C4'-P energy: -77.449 bonds (distance) P-C4' energy: -82.792 flat angles C4'-P-C4' energy: -99.289 flat angles P-C4'-P energy: -64.484 tors. eta vs tors. theta energy: -101.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1197.548429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.548429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.548429 (E_RNA) where: Base-Base interactions energy: -784.240 where: short stacking energy: -342.895 Base-Backbone interact. energy: -0.868 local terms energy: -412.440444 where: bonds (distance) C4'-P energy: -90.295 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -68.046 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: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -989.653099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.653099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.653099 (E_RNA) where: Base-Base interactions energy: -658.783 where: short stacking energy: -293.367 Base-Backbone interact. energy: -3.956 local terms energy: -326.914705 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -67.753 flat angles C4'-P-C4' energy: -78.443 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -49.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -871.824832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.824832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.824832 (E_RNA) where: Base-Base interactions energy: -536.745 where: short stacking energy: -253.603 Base-Backbone interact. energy: -0.338 local terms energy: -334.741987 where: bonds (distance) C4'-P energy: -89.285 bonds (distance) P-C4' energy: -76.267 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -44.270 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: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -641.177084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.177084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.177084 (E_RNA) where: Base-Base interactions energy: -366.551 where: short stacking energy: -184.108 Base-Backbone interact. energy: 4.400 local terms energy: -279.025393 where: bonds (distance) C4'-P energy: -83.139 bonds (distance) P-C4' energy: -81.796 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -47.452 tors. eta vs tors. theta energy: 8.071 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: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1791.305908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.305908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.305908 (E_RNA) where: Base-Base interactions energy: -1228.891 where: short stacking energy: -547.549 Base-Backbone interact. energy: -3.667 local terms energy: -558.747907 where: bonds (distance) C4'-P energy: -98.252 bonds (distance) P-C4' energy: -103.945 flat angles C4'-P-C4' energy: -104.474 flat angles P-C4'-P energy: -79.591 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: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1788.515943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.515943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.515943 (E_RNA) where: Base-Base interactions energy: -1246.187 where: short stacking energy: -531.258 Base-Backbone interact. energy: -2.158 local terms energy: -540.170645 where: bonds (distance) C4'-P energy: -93.237 bonds (distance) P-C4' energy: -92.865 flat angles C4'-P-C4' energy: -112.342 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -165.056 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: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1636.515721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.515721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.515721 (E_RNA) where: Base-Base interactions energy: -1125.827 where: short stacking energy: -481.280 Base-Backbone interact. energy: -1.866 local terms energy: -508.822385 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -91.886 flat angles C4'-P-C4' energy: -114.438 flat angles P-C4'-P energy: -73.904 tors. eta vs tors. theta energy: -132.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1560.044279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.044279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.044279 (E_RNA) where: Base-Base interactions energy: -1100.346 where: short stacking energy: -457.204 Base-Backbone interact. energy: -1.745 local terms energy: -457.953227 where: bonds (distance) C4'-P energy: -90.781 bonds (distance) P-C4' energy: -89.173 flat angles C4'-P-C4' energy: -107.770 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -115.529 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: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1481.406241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.406241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.406241 (E_RNA) where: Base-Base interactions energy: -1033.584 where: short stacking energy: -434.497 Base-Backbone interact. energy: -3.654 local terms energy: -444.168521 where: bonds (distance) C4'-P energy: -85.969 bonds (distance) P-C4' energy: -88.656 flat angles C4'-P-C4' energy: -94.022 flat angles P-C4'-P energy: -61.874 tors. eta vs tors. theta energy: -113.647 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: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1401.273504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.273504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.273504 (E_RNA) where: Base-Base interactions energy: -992.635 where: short stacking energy: -403.533 Base-Backbone interact. energy: 3.450 local terms energy: -412.087844 where: bonds (distance) C4'-P energy: -82.614 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -83.313 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -101.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1147.812070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.812070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.812070 (E_RNA) where: Base-Base interactions energy: -755.736 where: short stacking energy: -349.017 Base-Backbone interact. energy: -1.346 local terms energy: -390.730159 where: bonds (distance) C4'-P energy: -71.126 bonds (distance) P-C4' energy: -84.785 flat angles C4'-P-C4' energy: -89.759 flat angles P-C4'-P energy: -64.876 tors. eta vs tors. theta energy: -80.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1012.681868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.681868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.681868 (E_RNA) where: Base-Base interactions energy: -648.675 where: short stacking energy: -327.229 Base-Backbone interact. energy: -2.300 local terms energy: -361.707228 where: bonds (distance) C4'-P energy: -74.243 bonds (distance) P-C4' energy: -70.534 flat angles C4'-P-C4' energy: -94.472 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: -64.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -847.229963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.229963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.229963 (E_RNA) where: Base-Base interactions energy: -506.952 where: short stacking energy: -260.169 Base-Backbone interact. energy: 3.693 local terms energy: -343.971084 where: bonds (distance) C4'-P energy: -68.485 bonds (distance) P-C4' energy: -84.835 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -56.007 tors. eta vs tors. theta energy: -57.404 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: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -639.457254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.457254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.457254 (E_RNA) where: Base-Base interactions energy: -388.122 where: short stacking energy: -211.491 Base-Backbone interact. energy: 1.256 local terms energy: -252.591629 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -70.773 flat angles C4'-P-C4' energy: -49.646 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -13.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1800.527822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.527822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.527822 (E_RNA) where: Base-Base interactions energy: -1227.272 where: short stacking energy: -542.508 Base-Backbone interact. energy: -2.918 local terms energy: -570.337466 where: bonds (distance) C4'-P energy: -106.638 bonds (distance) P-C4' energy: -104.877 flat angles C4'-P-C4' energy: -108.425 flat angles P-C4'-P energy: -76.357 tors. eta vs tors. theta energy: -174.040 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: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1763.259413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.259413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.259413 (E_RNA) where: Base-Base interactions energy: -1239.796 where: short stacking energy: -536.565 Base-Backbone interact. energy: -1.916 local terms energy: -521.547986 where: bonds (distance) C4'-P energy: -83.558 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -116.150 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -162.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1649.168676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.168676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.168676 (E_RNA) where: Base-Base interactions energy: -1137.884 where: short stacking energy: -466.827 Base-Backbone interact. energy: 0.237 local terms energy: -511.521545 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -97.437 flat angles C4'-P-C4' energy: -115.953 flat angles P-C4'-P energy: -75.155 tors. eta vs tors. theta energy: -135.063 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: 274 Temperature: 1.050000 Total energy: -1593.402640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.402640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.402640 (E_RNA) where: Base-Base interactions energy: -1120.721 where: short stacking energy: -434.288 Base-Backbone interact. energy: 1.047 local terms energy: -473.728701 where: bonds (distance) C4'-P energy: -83.558 bonds (distance) P-C4' energy: -89.377 flat angles C4'-P-C4' energy: -115.748 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -115.539 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: 274 Temperature: 1.100000 Total energy: -1522.910894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.910894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.910894 (E_RNA) where: Base-Base interactions energy: -1055.809 where: short stacking energy: -421.396 Base-Backbone interact. energy: -2.775 local terms energy: -464.326462 where: bonds (distance) C4'-P energy: -84.465 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -105.647 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -117.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1386.277884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.277884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.277884 (E_RNA) where: Base-Base interactions energy: -968.705 where: short stacking energy: -387.064 Base-Backbone interact. energy: -3.301 local terms energy: -414.272302 where: bonds (distance) C4'-P energy: -76.029 bonds (distance) P-C4' energy: -87.826 flat angles C4'-P-C4' energy: -101.083 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -98.449 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: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1147.562851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.562851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.562851 (E_RNA) where: Base-Base interactions energy: -758.331 where: short stacking energy: -310.246 Base-Backbone interact. energy: -0.533 local terms energy: -388.699154 where: bonds (distance) C4'-P energy: -77.852 bonds (distance) P-C4' energy: -78.969 flat angles C4'-P-C4' energy: -92.788 flat angles P-C4'-P energy: -64.993 tors. eta vs tors. theta energy: -74.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1007.974903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.974903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.974903 (E_RNA) where: Base-Base interactions energy: -653.641 where: short stacking energy: -291.377 Base-Backbone interact. energy: 1.094 local terms energy: -355.427793 where: bonds (distance) C4'-P energy: -85.645 bonds (distance) P-C4' energy: -66.954 flat angles C4'-P-C4' energy: -75.622 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -68.039 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: 274 Temperature: 1.300000 Total energy: -868.722342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.722342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.722342 (E_RNA) where: Base-Base interactions energy: -545.118 where: short stacking energy: -265.516 Base-Backbone interact. energy: -1.080 local terms energy: -322.524095 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -80.817 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -50.167 tors. eta vs tors. theta energy: -38.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -630.830163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.830163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.830163 (E_RNA) where: Base-Base interactions energy: -345.743 where: short stacking energy: -198.248 Base-Backbone interact. energy: 1.400 local terms energy: -286.487194 where: bonds (distance) C4'-P energy: -76.045 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -72.637 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -23.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1812.849338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.849338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.849338 (E_RNA) where: Base-Base interactions energy: -1249.062 where: short stacking energy: -586.024 Base-Backbone interact. energy: -1.958 local terms energy: -561.828744 where: bonds (distance) C4'-P energy: -94.227 bonds (distance) P-C4' energy: -101.936 flat angles C4'-P-C4' energy: -119.081 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -174.251 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: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1748.185153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.185153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.185153 (E_RNA) where: Base-Base interactions energy: -1218.073 where: short stacking energy: -534.472 Base-Backbone interact. energy: 0.845 local terms energy: -530.957725 where: bonds (distance) C4'-P energy: -92.041 bonds (distance) P-C4' energy: -98.727 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -71.135 tors. eta vs tors. theta energy: -157.413 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: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1672.312448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.312448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.312448 (E_RNA) where: Base-Base interactions energy: -1170.205 where: short stacking energy: -481.408 Base-Backbone interact. energy: -0.662 local terms energy: -501.445908 where: bonds (distance) C4'-P energy: -102.028 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -109.470 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -130.045 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: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1557.000456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.000456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.000456 (E_RNA) where: Base-Base interactions energy: -1089.877 where: short stacking energy: -455.910 Base-Backbone interact. energy: -2.079 local terms energy: -465.044516 where: bonds (distance) C4'-P energy: -91.126 bonds (distance) P-C4' energy: -102.253 flat angles C4'-P-C4' energy: -96.793 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -122.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1541.314912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.314912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.314912 (E_RNA) where: Base-Base interactions energy: -1111.824 where: short stacking energy: -452.650 Base-Backbone interact. energy: 0.396 local terms energy: -429.887148 where: bonds (distance) C4'-P energy: -59.833 bonds (distance) P-C4' energy: -83.798 flat angles C4'-P-C4' energy: -103.731 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -116.667 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: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1367.844376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.844376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.844376 (E_RNA) where: Base-Base interactions energy: -956.357 where: short stacking energy: -366.020 Base-Backbone interact. energy: -1.552 local terms energy: -409.936234 where: bonds (distance) C4'-P energy: -83.318 bonds (distance) P-C4' energy: -101.063 flat angles C4'-P-C4' energy: -97.561 flat angles P-C4'-P energy: -44.579 tors. eta vs tors. theta energy: -83.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1169.714152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.714152 (E_RNA) where: Base-Base interactions energy: -769.118 where: short stacking energy: -349.635 Base-Backbone interact. energy: 3.891 local terms energy: -404.486727 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -82.555 flat angles C4'-P-C4' energy: -95.175 flat angles P-C4'-P energy: -63.738 tors. eta vs tors. theta energy: -73.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1087.117701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.117701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.117701 (E_RNA) where: Base-Base interactions energy: -684.123 where: short stacking energy: -330.167 Base-Backbone interact. energy: -2.616 local terms energy: -400.378433 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -91.772 flat angles C4'-P-C4' energy: -99.394 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -72.690 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: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -864.880106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.880106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.880106 (E_RNA) where: Base-Base interactions energy: -523.178 where: short stacking energy: -279.400 Base-Backbone interact. energy: -1.767 local terms energy: -339.934984 where: bonds (distance) C4'-P energy: -84.820 bonds (distance) P-C4' energy: -81.887 flat angles C4'-P-C4' energy: -87.534 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: -48.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -660.621700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.621700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.621700 (E_RNA) where: Base-Base interactions energy: -375.246 where: short stacking energy: -203.570 Base-Backbone interact. energy: 1.404 local terms energy: -286.779798 where: bonds (distance) C4'-P energy: -87.258 bonds (distance) P-C4' energy: -70.495 flat angles C4'-P-C4' energy: -73.349 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -16.912 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: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1800.667483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.667483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.667483 (E_RNA) where: Base-Base interactions energy: -1233.252 where: short stacking energy: -565.797 Base-Backbone interact. energy: -2.511 local terms energy: -564.904492 where: bonds (distance) C4'-P energy: -93.339 bonds (distance) P-C4' energy: -97.795 flat angles C4'-P-C4' energy: -116.646 flat angles P-C4'-P energy: -89.980 tors. eta vs tors. theta energy: -167.144 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: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1741.689033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.689033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.689033 (E_RNA) where: Base-Base interactions energy: -1222.963 where: short stacking energy: -531.936 Base-Backbone interact. energy: -3.169 local terms energy: -515.556970 where: bonds (distance) C4'-P energy: -100.158 bonds (distance) P-C4' energy: -88.135 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -151.650 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: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1639.181483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.181483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.181483 (E_RNA) where: Base-Base interactions energy: -1183.324 where: short stacking energy: -467.758 Base-Backbone interact. energy: -0.711 local terms energy: -455.147029 where: bonds (distance) C4'-P energy: -87.193 bonds (distance) P-C4' energy: -89.396 flat angles C4'-P-C4' energy: -105.886 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -127.368 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1558.724905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.724905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.724905 (E_RNA) where: Base-Base interactions energy: -1092.044 where: short stacking energy: -432.918 Base-Backbone interact. energy: -5.488 local terms energy: -461.192566 where: bonds (distance) C4'-P energy: -86.772 bonds (distance) P-C4' energy: -85.335 flat angles C4'-P-C4' energy: -111.463 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -121.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1541.860066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.860066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.860066 (E_RNA) where: Base-Base interactions energy: -1090.159 where: short stacking energy: -424.385 Base-Backbone interact. energy: -1.685 local terms energy: -450.016776 where: bonds (distance) C4'-P energy: -91.526 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -90.981 flat angles P-C4'-P energy: -68.915 tors. eta vs tors. theta energy: -110.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1376.187379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.187379 (E_RNA) where: Base-Base interactions energy: -956.979 where: short stacking energy: -368.367 Base-Backbone interact. energy: -0.629 local terms energy: -418.579380 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -98.542 flat angles C4'-P-C4' energy: -87.460 flat angles P-C4'-P energy: -58.011 tors. eta vs tors. theta energy: -88.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1137.068907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.068907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.068907 (E_RNA) where: Base-Base interactions energy: -741.194 where: short stacking energy: -316.040 Base-Backbone interact. energy: -2.010 local terms energy: -393.864813 where: bonds (distance) C4'-P energy: -84.363 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -91.612 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -69.081 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: 276 Temperature: 1.250000 Total energy: -1055.787963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.787963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.787963 (E_RNA) where: Base-Base interactions energy: -671.408 where: short stacking energy: -305.411 Base-Backbone interact. energy: -3.167 local terms energy: -381.212853 where: bonds (distance) C4'-P energy: -90.385 bonds (distance) P-C4' energy: -69.432 flat angles C4'-P-C4' energy: -94.034 flat angles P-C4'-P energy: -62.976 tors. eta vs tors. theta energy: -64.386 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -899.558579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.558579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.558579 (E_RNA) where: Base-Base interactions energy: -534.428 where: short stacking energy: -248.704 Base-Backbone interact. energy: 4.228 local terms energy: -369.358214 where: bonds (distance) C4'-P energy: -78.373 bonds (distance) P-C4' energy: -89.429 flat angles C4'-P-C4' energy: -97.762 flat angles P-C4'-P energy: -55.579 tors. eta vs tors. theta energy: -48.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -660.362457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.362457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.362457 (E_RNA) where: Base-Base interactions energy: -362.154 where: short stacking energy: -201.882 Base-Backbone interact. energy: 2.733 local terms energy: -300.941539 where: bonds (distance) C4'-P energy: -87.790 bonds (distance) P-C4' energy: -85.888 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -24.046 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: 277 Temperature: 0.900000 Total energy: -1786.562406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.562406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.562406 (E_RNA) where: Base-Base interactions energy: -1229.355 where: short stacking energy: -566.799 Base-Backbone interact. energy: -0.700 local terms energy: -556.507381 where: bonds (distance) C4'-P energy: -102.427 bonds (distance) P-C4' energy: -102.108 flat angles C4'-P-C4' energy: -115.413 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -166.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1733.429718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.429718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.429718 (E_RNA) where: Base-Base interactions energy: -1194.561 where: short stacking energy: -533.435 Base-Backbone interact. energy: -2.767 local terms energy: -536.102439 where: bonds (distance) C4'-P energy: -99.730 bonds (distance) P-C4' energy: -94.502 flat angles C4'-P-C4' energy: -102.929 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -159.536 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: 277 Temperature: 1.000000 Total energy: -1638.452254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.452254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.452254 (E_RNA) where: Base-Base interactions energy: -1153.681 where: short stacking energy: -449.996 Base-Backbone interact. energy: -0.671 local terms energy: -484.100651 where: bonds (distance) C4'-P energy: -101.165 bonds (distance) P-C4' energy: -87.961 flat angles C4'-P-C4' energy: -109.137 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -120.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1596.476137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.476137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.476137 (E_RNA) where: Base-Base interactions energy: -1131.290 where: short stacking energy: -440.570 Base-Backbone interact. energy: -0.023 local terms energy: -465.163316 where: bonds (distance) C4'-P energy: -87.920 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -93.125 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -124.091 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: 5, replica: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1507.031858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.031858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.031858 (E_RNA) where: Base-Base interactions energy: -1028.235 where: short stacking energy: -420.990 Base-Backbone interact. energy: -2.577 local terms energy: -476.220338 where: bonds (distance) C4'-P energy: -95.784 bonds (distance) P-C4' energy: -96.287 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -69.629 tors. eta vs tors. theta energy: -111.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1341.235692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.235692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.235692 (E_RNA) where: Base-Base interactions energy: -908.694 where: short stacking energy: -384.798 Base-Backbone interact. energy: -5.396 local terms energy: -427.146321 where: bonds (distance) C4'-P energy: -83.990 bonds (distance) P-C4' energy: -93.787 flat angles C4'-P-C4' energy: -104.849 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -90.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1196.976371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.976371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.976371 (E_RNA) where: Base-Base interactions energy: -795.991 where: short stacking energy: -346.714 Base-Backbone interact. energy: 0.101 local terms energy: -401.086443 where: bonds (distance) C4'-P energy: -88.374 bonds (distance) P-C4' energy: -91.465 flat angles C4'-P-C4' energy: -91.530 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -76.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1007.466538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.466538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.466538 (E_RNA) where: Base-Base interactions energy: -661.808 where: short stacking energy: -307.118 Base-Backbone interact. energy: -1.114 local terms energy: -344.544737 where: bonds (distance) C4'-P energy: -76.517 bonds (distance) P-C4' energy: -76.565 flat angles C4'-P-C4' energy: -76.663 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -68.635 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -920.309291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.309291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.309291 (E_RNA) where: Base-Base interactions energy: -605.628 where: short stacking energy: -260.913 Base-Backbone interact. energy: 1.903 local terms energy: -316.584359 where: bonds (distance) C4'-P energy: -58.216 bonds (distance) P-C4' energy: -89.540 flat angles C4'-P-C4' energy: -87.975 flat angles P-C4'-P energy: -48.581 tors. eta vs tors. theta energy: -32.273 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: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -612.257575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.257575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.257575 (E_RNA) where: Base-Base interactions energy: -357.966 where: short stacking energy: -188.373 Base-Backbone interact. energy: -1.814 local terms energy: -252.478116 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -75.271 flat angles C4'-P-C4' energy: -77.886 flat angles P-C4'-P energy: -23.297 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1795.058779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.058779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.058779 (E_RNA) where: Base-Base interactions energy: -1256.381 where: short stacking energy: -557.950 Base-Backbone interact. energy: -1.550 local terms energy: -537.128072 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -95.993 flat angles C4'-P-C4' energy: -112.900 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -160.006 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: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1765.237044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.237044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.237044 (E_RNA) where: Base-Base interactions energy: -1239.588 where: short stacking energy: -552.082 Base-Backbone interact. energy: -0.681 local terms energy: -524.968182 where: bonds (distance) C4'-P energy: -83.929 bonds (distance) P-C4' energy: -105.897 flat angles C4'-P-C4' energy: -104.212 flat angles P-C4'-P energy: -68.352 tors. eta vs tors. theta energy: -162.577 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1660.211454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.211454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.211454 (E_RNA) where: Base-Base interactions energy: -1157.015 where: short stacking energy: -487.391 Base-Backbone interact. energy: -4.607 local terms energy: -498.589268 where: bonds (distance) C4'-P energy: -88.975 bonds (distance) P-C4' energy: -88.452 flat angles C4'-P-C4' energy: -112.725 flat angles P-C4'-P energy: -72.975 tors. eta vs tors. theta energy: -135.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1596.719920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.719920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.719920 (E_RNA) where: Base-Base interactions energy: -1122.341 where: short stacking energy: -469.419 Base-Backbone interact. energy: -0.471 local terms energy: -473.907239 where: bonds (distance) C4'-P energy: -84.771 bonds (distance) P-C4' energy: -87.418 flat angles C4'-P-C4' energy: -106.629 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -127.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1519.563190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.563190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.563190 (E_RNA) where: Base-Base interactions energy: -1070.640 where: short stacking energy: -416.492 Base-Backbone interact. energy: -3.142 local terms energy: -445.780798 where: bonds (distance) C4'-P energy: -80.787 bonds (distance) P-C4' energy: -75.487 flat angles C4'-P-C4' energy: -106.742 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -110.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1320.332428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.332428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.332428 (E_RNA) where: Base-Base interactions energy: -896.792 where: short stacking energy: -354.518 Base-Backbone interact. energy: 5.406 local terms energy: -428.946010 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -78.296 flat angles C4'-P-C4' energy: -106.139 flat angles P-C4'-P energy: -54.849 tors. eta vs tors. theta energy: -93.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1155.207506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.207506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.207506 (E_RNA) where: Base-Base interactions energy: -752.663 where: short stacking energy: -336.155 Base-Backbone interact. energy: -0.652 local terms energy: -401.892291 where: bonds (distance) C4'-P energy: -79.641 bonds (distance) P-C4' energy: -98.464 flat angles C4'-P-C4' energy: -85.757 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -77.062 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: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -935.493734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.493734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.493734 (E_RNA) where: Base-Base interactions energy: -597.124 where: short stacking energy: -279.805 Base-Backbone interact. energy: -1.061 local terms energy: -337.309163 where: bonds (distance) C4'-P energy: -73.969 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -55.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -942.390416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.390416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.390416 (E_RNA) where: Base-Base interactions energy: -611.177 where: short stacking energy: -257.847 Base-Backbone interact. energy: 2.253 local terms energy: -333.466452 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -79.973 flat angles P-C4'-P energy: -57.040 tors. eta vs tors. theta energy: -37.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -631.670409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.670409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.670409 (E_RNA) where: Base-Base interactions energy: -324.286 where: short stacking energy: -162.463 Base-Backbone interact. energy: 2.399 local terms energy: -309.782591 where: bonds (distance) C4'-P energy: -80.724 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -81.908 flat angles P-C4'-P energy: -45.912 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: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1770.459040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.459040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.459040 (E_RNA) where: Base-Base interactions energy: -1240.757 where: short stacking energy: -540.524 Base-Backbone interact. energy: -0.152 local terms energy: -529.549191 where: bonds (distance) C4'-P energy: -114.902 bonds (distance) P-C4' energy: -84.807 flat angles C4'-P-C4' energy: -114.395 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -155.547 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: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1751.724611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.724611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.724611 (E_RNA) where: Base-Base interactions energy: -1190.313 where: short stacking energy: -524.878 Base-Backbone interact. energy: -1.809 local terms energy: -559.602299 where: bonds (distance) C4'-P energy: -101.410 bonds (distance) P-C4' energy: -107.530 flat angles C4'-P-C4' energy: -114.262 flat angles P-C4'-P energy: -75.410 tors. eta vs tors. theta energy: -160.991 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: 279 Temperature: 1.000000 Total energy: -1630.167625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.167625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.167625 (E_RNA) where: Base-Base interactions energy: -1144.587 where: short stacking energy: -475.551 Base-Backbone interact. energy: 0.071 local terms energy: -485.651577 where: bonds (distance) C4'-P energy: -82.776 bonds (distance) P-C4' energy: -97.295 flat angles C4'-P-C4' energy: -102.053 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -132.552 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: 279 Temperature: 1.050000 Total energy: -1565.097494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.097494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.097494 (E_RNA) where: Base-Base interactions energy: -1122.301 where: short stacking energy: -463.655 Base-Backbone interact. energy: -0.446 local terms energy: -442.350351 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -94.814 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -53.325 tors. eta vs tors. theta energy: -123.044 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: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1536.501629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.501629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.501629 (E_RNA) where: Base-Base interactions energy: -1085.275 where: short stacking energy: -425.568 Base-Backbone interact. energy: -7.130 local terms energy: -444.095968 where: bonds (distance) C4'-P energy: -72.140 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -102.474 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -115.319 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1296.537652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.537652 (E_RNA) where: Base-Base interactions energy: -908.336 where: short stacking energy: -372.663 Base-Backbone interact. energy: -4.158 local terms energy: -384.043989 where: bonds (distance) C4'-P energy: -85.129 bonds (distance) P-C4' energy: -83.197 flat angles C4'-P-C4' energy: -95.565 flat angles P-C4'-P energy: -35.935 tors. eta vs tors. theta energy: -84.218 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: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1158.879161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.879161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.879161 (E_RNA) where: Base-Base interactions energy: -760.976 where: short stacking energy: -322.551 Base-Backbone interact. energy: -0.268 local terms energy: -397.634576 where: bonds (distance) C4'-P energy: -81.151 bonds (distance) P-C4' energy: -102.326 flat angles C4'-P-C4' energy: -92.581 flat angles P-C4'-P energy: -60.339 tors. eta vs tors. theta energy: -61.237 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: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1012.574982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.574982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.574982 (E_RNA) where: Base-Base interactions energy: -633.107 where: short stacking energy: -322.399 Base-Backbone interact. energy: -3.039 local terms energy: -376.428449 where: bonds (distance) C4'-P energy: -64.305 bonds (distance) P-C4' energy: -75.526 flat angles C4'-P-C4' energy: -89.151 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -92.068 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: 279 Temperature: 1.300000 Total energy: -910.287262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.287262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.287262 (E_RNA) where: Base-Base interactions energy: -597.307 where: short stacking energy: -247.460 Base-Backbone interact. energy: 0.544 local terms energy: -313.524050 where: bonds (distance) C4'-P energy: -82.663 bonds (distance) P-C4' energy: -82.356 flat angles C4'-P-C4' energy: -67.782 flat angles P-C4'-P energy: -51.617 tors. eta vs tors. theta energy: -29.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -595.533697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.533697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.533697 (E_RNA) where: Base-Base interactions energy: -327.982 where: short stacking energy: -189.187 Base-Backbone interact. energy: -1.320 local terms energy: -266.231132 where: bonds (distance) C4'-P energy: -72.561 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -82.858 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: 4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1805.482457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.482457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.482457 (E_RNA) where: Base-Base interactions energy: -1252.619 where: short stacking energy: -568.382 Base-Backbone interact. energy: -2.950 local terms energy: -549.913959 where: bonds (distance) C4'-P energy: -82.485 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -115.693 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -162.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1744.356494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.356494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.356494 (E_RNA) where: Base-Base interactions energy: -1199.805 where: short stacking energy: -513.206 Base-Backbone interact. energy: -1.477 local terms energy: -543.074779 where: bonds (distance) C4'-P energy: -99.034 bonds (distance) P-C4' energy: -97.840 flat angles C4'-P-C4' energy: -116.746 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -156.691 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: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1679.551980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.551980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.551980 (E_RNA) where: Base-Base interactions energy: -1174.307 where: short stacking energy: -513.554 Base-Backbone interact. energy: -1.720 local terms energy: -503.524312 where: bonds (distance) C4'-P energy: -90.136 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -116.058 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: -135.080 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: 280 Temperature: 1.050000 Total energy: -1607.716437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.716437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.716437 (E_RNA) where: Base-Base interactions energy: -1145.143 where: short stacking energy: -473.722 Base-Backbone interact. energy: 1.731 local terms energy: -464.304891 where: bonds (distance) C4'-P energy: -74.539 bonds (distance) P-C4' energy: -94.711 flat angles C4'-P-C4' energy: -106.172 flat angles P-C4'-P energy: -61.100 tors. eta vs tors. theta energy: -127.783 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: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1539.129589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.129589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.129589 (E_RNA) where: Base-Base interactions energy: -1084.335 where: short stacking energy: -424.206 Base-Backbone interact. energy: -1.968 local terms energy: -452.826857 where: bonds (distance) C4'-P energy: -65.834 bonds (distance) P-C4' energy: -99.625 flat angles C4'-P-C4' energy: -100.884 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: -124.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1310.649411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.649411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.649411 (E_RNA) where: Base-Base interactions energy: -898.991 where: short stacking energy: -365.249 Base-Backbone interact. energy: -5.330 local terms energy: -406.327786 where: bonds (distance) C4'-P energy: -93.326 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -83.182 flat angles P-C4'-P energy: -68.225 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: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1186.344720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.344720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.344720 (E_RNA) where: Base-Base interactions energy: -804.896 where: short stacking energy: -348.469 Base-Backbone interact. energy: -1.328 local terms energy: -380.120563 where: bonds (distance) C4'-P energy: -82.024 bonds (distance) P-C4' energy: -82.803 flat angles C4'-P-C4' energy: -80.832 flat angles P-C4'-P energy: -56.403 tors. eta vs tors. theta energy: -78.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -912.832949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.832949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.832949 (E_RNA) where: Base-Base interactions energy: -575.718 where: short stacking energy: -263.066 Base-Backbone interact. energy: -0.959 local terms energy: -336.156115 where: bonds (distance) C4'-P energy: -87.675 bonds (distance) P-C4' energy: -86.546 flat angles C4'-P-C4' energy: -63.583 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -59.059 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: 280 Temperature: 1.300000 Total energy: -860.435923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.435923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.435923 (E_RNA) where: Base-Base interactions energy: -509.090 where: short stacking energy: -259.069 Base-Backbone interact. energy: -0.638 local terms energy: -350.707583 where: bonds (distance) C4'-P energy: -79.223 bonds (distance) P-C4' energy: -89.097 flat angles C4'-P-C4' energy: -84.070 flat angles P-C4'-P energy: -58.681 tors. eta vs tors. theta energy: -39.637 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: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -621.420567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.420567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.420567 (E_RNA) where: Base-Base interactions energy: -357.719 where: short stacking energy: -187.224 Base-Backbone interact. energy: -1.151 local terms energy: -262.551044 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -76.720 flat angles C4'-P-C4' energy: -59.702 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -22.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1777.254716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.254716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.254716 (E_RNA) where: Base-Base interactions energy: -1244.750 where: short stacking energy: -547.833 Base-Backbone interact. energy: -2.048 local terms energy: -530.456605 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -92.113 flat angles C4'-P-C4' energy: -110.001 flat angles P-C4'-P energy: -75.058 tors. eta vs tors. theta energy: -165.253 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: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1759.887606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.887606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.887606 (E_RNA) where: Base-Base interactions energy: -1215.876 where: short stacking energy: -547.012 Base-Backbone interact. energy: -2.463 local terms energy: -541.549315 where: bonds (distance) C4'-P energy: -89.718 bonds (distance) P-C4' energy: -102.254 flat angles C4'-P-C4' energy: -119.964 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -160.898 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: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1663.769647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.769647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.769647 (E_RNA) where: Base-Base interactions energy: -1150.870 where: short stacking energy: -493.247 Base-Backbone interact. energy: -2.524 local terms energy: -510.376106 where: bonds (distance) C4'-P energy: -96.659 bonds (distance) P-C4' energy: -90.128 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -62.655 tors. eta vs tors. theta energy: -148.480 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: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1604.621108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.621108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.621108 (E_RNA) where: Base-Base interactions energy: -1121.238 where: short stacking energy: -450.126 Base-Backbone interact. energy: -0.661 local terms energy: -482.722390 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -92.960 flat angles C4'-P-C4' energy: -102.391 flat angles P-C4'-P energy: -74.569 tors. eta vs tors. theta energy: -121.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1561.118683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.118683 (E_RNA) where: Base-Base interactions energy: -1109.025 where: short stacking energy: -445.985 Base-Backbone interact. energy: -3.419 local terms energy: -448.674624 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -95.050 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -57.298 tors. eta vs tors. theta energy: -115.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1293.167326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.167326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.167326 (E_RNA) where: Base-Base interactions energy: -906.933 where: short stacking energy: -378.491 Base-Backbone interact. energy: -1.954 local terms energy: -384.280049 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -69.085 flat angles C4'-P-C4' energy: -85.964 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -92.985 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: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1193.800452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.800452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.800452 (E_RNA) where: Base-Base interactions energy: -796.938 where: short stacking energy: -352.219 Base-Backbone interact. energy: 1.787 local terms energy: -398.650280 where: bonds (distance) C4'-P energy: -78.751 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -96.985 flat angles P-C4'-P energy: -56.463 tors. eta vs tors. theta energy: -91.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -880.049451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.049451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.049451 (E_RNA) where: Base-Base interactions energy: -538.930 where: short stacking energy: -256.928 Base-Backbone interact. energy: 3.833 local terms energy: -344.952696 where: bonds (distance) C4'-P energy: -80.200 bonds (distance) P-C4' energy: -88.745 flat angles C4'-P-C4' energy: -88.420 flat angles P-C4'-P energy: -46.356 tors. eta vs tors. theta energy: -41.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -892.629976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.629976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.629976 (E_RNA) where: Base-Base interactions energy: -581.564 where: short stacking energy: -275.427 Base-Backbone interact. energy: 3.613 local terms energy: -314.678947 where: bonds (distance) C4'-P energy: -78.428 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -50.024 tors. eta vs tors. theta energy: -34.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -662.753115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.753115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.753115 (E_RNA) where: Base-Base interactions energy: -361.235 where: short stacking energy: -181.186 Base-Backbone interact. energy: -2.676 local terms energy: -298.841771 where: bonds (distance) C4'-P energy: -74.684 bonds (distance) P-C4' energy: -82.343 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -17.605 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: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1786.381604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.381604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.381604 (E_RNA) where: Base-Base interactions energy: -1227.656 where: short stacking energy: -557.487 Base-Backbone interact. energy: -1.985 local terms energy: -556.741310 where: bonds (distance) C4'-P energy: -94.120 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -119.179 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -166.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1738.843812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.843812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.843812 (E_RNA) where: Base-Base interactions energy: -1212.320 where: short stacking energy: -515.235 Base-Backbone interact. energy: -1.503 local terms energy: -525.020010 where: bonds (distance) C4'-P energy: -96.316 bonds (distance) P-C4' energy: -102.687 flat angles C4'-P-C4' energy: -103.552 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -151.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1615.616901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.616901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.616901 (E_RNA) where: Base-Base interactions energy: -1133.853 where: short stacking energy: -457.251 Base-Backbone interact. energy: -4.760 local terms energy: -477.004506 where: bonds (distance) C4'-P energy: -99.878 bonds (distance) P-C4' energy: -87.630 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -63.582 tors. eta vs tors. theta energy: -132.585 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: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1653.921318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.921318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.921318 (E_RNA) where: Base-Base interactions energy: -1153.937 where: short stacking energy: -477.836 Base-Backbone interact. energy: -1.907 local terms energy: -498.076563 where: bonds (distance) C4'-P energy: -95.034 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -104.858 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -138.092 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: 282 Temperature: 1.100000 Total energy: -1521.900749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.900749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.900749 (E_RNA) where: Base-Base interactions energy: -1053.607 where: short stacking energy: -424.508 Base-Backbone interact. energy: -4.124 local terms energy: -464.169839 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -86.956 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -121.736 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: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1342.160501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.160501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.160501 (E_RNA) where: Base-Base interactions energy: -902.896 where: short stacking energy: -385.112 Base-Backbone interact. energy: -1.351 local terms energy: -437.912981 where: bonds (distance) C4'-P energy: -83.340 bonds (distance) P-C4' energy: -103.069 flat angles C4'-P-C4' energy: -93.379 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1204.040939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.040939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.040939 (E_RNA) where: Base-Base interactions energy: -805.827 where: short stacking energy: -365.054 Base-Backbone interact. energy: -1.577 local terms energy: -396.636771 where: bonds (distance) C4'-P energy: -84.729 bonds (distance) P-C4' energy: -90.249 flat angles C4'-P-C4' energy: -74.401 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: -88.857 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -905.590129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.590129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.590129 (E_RNA) where: Base-Base interactions energy: -580.864 where: short stacking energy: -283.257 Base-Backbone interact. energy: -0.523 local terms energy: -324.202634 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -72.398 flat angles C4'-P-C4' energy: -77.927 flat angles P-C4'-P energy: -42.644 tors. eta vs tors. theta energy: -53.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -869.435637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.435637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.435637 (E_RNA) where: Base-Base interactions energy: -547.305 where: short stacking energy: -250.489 Base-Backbone interact. energy: 2.508 local terms energy: -324.638718 where: bonds (distance) C4'-P energy: -85.213 bonds (distance) P-C4' energy: -83.999 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -31.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -629.093086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.093086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.093086 (E_RNA) where: Base-Base interactions energy: -358.402 where: short stacking energy: -182.615 Base-Backbone interact. energy: -0.742 local terms energy: -269.948966 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -86.302 flat angles C4'-P-C4' energy: -56.772 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1800.737269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.737269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.737269 (E_RNA) where: Base-Base interactions energy: -1241.684 where: short stacking energy: -553.131 Base-Backbone interact. energy: -1.108 local terms energy: -557.945558 where: bonds (distance) C4'-P energy: -96.605 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -112.387 flat angles P-C4'-P energy: -79.355 tors. eta vs tors. theta energy: -169.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1716.366435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.366435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.366435 (E_RNA) where: Base-Base interactions energy: -1210.623 where: short stacking energy: -505.932 Base-Backbone interact. energy: -4.362 local terms energy: -501.382036 where: bonds (distance) C4'-P energy: -91.902 bonds (distance) P-C4' energy: -97.627 flat angles C4'-P-C4' energy: -109.550 flat angles P-C4'-P energy: -58.666 tors. eta vs tors. theta energy: -143.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1624.398534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.398534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.398534 (E_RNA) where: Base-Base interactions energy: -1149.030 where: short stacking energy: -465.751 Base-Backbone interact. energy: -1.671 local terms energy: -473.697469 where: bonds (distance) C4'-P energy: -97.536 bonds (distance) P-C4' energy: -94.853 flat angles C4'-P-C4' energy: -102.378 flat angles P-C4'-P energy: -63.433 tors. eta vs tors. theta energy: -115.498 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: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1640.124250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.124250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.124250 (E_RNA) where: Base-Base interactions energy: -1138.607 where: short stacking energy: -478.175 Base-Backbone interact. energy: -1.548 local terms energy: -499.968987 where: bonds (distance) C4'-P energy: -99.021 bonds (distance) P-C4' energy: -97.775 flat angles C4'-P-C4' energy: -97.585 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -137.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1487.084487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.084487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.084487 (E_RNA) where: Base-Base interactions energy: -1067.000 where: short stacking energy: -427.556 Base-Backbone interact. energy: -3.052 local terms energy: -417.032482 where: bonds (distance) C4'-P energy: -71.523 bonds (distance) P-C4' energy: -84.637 flat angles C4'-P-C4' energy: -87.914 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -107.066 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: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1268.059938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.059938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.059938 (E_RNA) where: Base-Base interactions energy: -857.663 where: short stacking energy: -337.054 Base-Backbone interact. energy: -2.527 local terms energy: -407.869972 where: bonds (distance) C4'-P energy: -83.564 bonds (distance) P-C4' energy: -92.847 flat angles C4'-P-C4' energy: -93.301 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -76.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1161.192409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.192409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.192409 (E_RNA) where: Base-Base interactions energy: -773.748 where: short stacking energy: -336.636 Base-Backbone interact. energy: -3.555 local terms energy: -383.889077 where: bonds (distance) C4'-P energy: -96.845 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -98.963 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -73.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -896.659120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.659120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.659120 (E_RNA) where: Base-Base interactions energy: -550.429 where: short stacking energy: -277.361 Base-Backbone interact. energy: -0.464 local terms energy: -345.765682 where: bonds (distance) C4'-P energy: -68.812 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -76.808 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -51.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -901.971757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.971757 (E_RNA) where: Base-Base interactions energy: -584.234 where: short stacking energy: -259.413 Base-Backbone interact. energy: -3.372 local terms energy: -314.365690 where: bonds (distance) C4'-P energy: -66.487 bonds (distance) P-C4' energy: -87.880 flat angles C4'-P-C4' energy: -75.903 flat angles P-C4'-P energy: -49.678 tors. eta vs tors. theta energy: -34.418 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: 5 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -628.757544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.757544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.757544 (E_RNA) where: Base-Base interactions energy: -347.853 where: short stacking energy: -172.742 Base-Backbone interact. energy: 0.493 local terms energy: -281.397235 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -88.990 flat angles C4'-P-C4' energy: -80.522 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: 3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1782.216953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.216953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.216953 (E_RNA) where: Base-Base interactions energy: -1230.375 where: short stacking energy: -550.383 Base-Backbone interact. energy: -3.945 local terms energy: -547.896234 where: bonds (distance) C4'-P energy: -101.997 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -117.631 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -156.444 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: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1739.639667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.639667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.639667 (E_RNA) where: Base-Base interactions energy: -1226.125 where: short stacking energy: -526.742 Base-Backbone interact. energy: -2.078 local terms energy: -511.436504 where: bonds (distance) C4'-P energy: -89.165 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -66.999 tors. eta vs tors. theta energy: -156.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1640.104742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.104742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.104742 (E_RNA) where: Base-Base interactions energy: -1143.491 where: short stacking energy: -469.320 Base-Backbone interact. energy: -1.670 local terms energy: -494.944473 where: bonds (distance) C4'-P energy: -97.596 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -104.743 flat angles P-C4'-P energy: -65.683 tors. eta vs tors. theta energy: -134.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1611.095917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.095917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.095917 (E_RNA) where: Base-Base interactions energy: -1122.119 where: short stacking energy: -451.539 Base-Backbone interact. energy: -2.394 local terms energy: -486.582999 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -104.713 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -128.672 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: 284 Temperature: 1.100000 Total energy: -1513.255043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.255043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.255043 (E_RNA) where: Base-Base interactions energy: -1060.773 where: short stacking energy: -430.634 Base-Backbone interact. energy: 0.908 local terms energy: -453.389655 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -89.627 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -70.932 tors. eta vs tors. theta energy: -117.448 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: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1277.868093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.868093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.868093 (E_RNA) where: Base-Base interactions energy: -867.314 where: short stacking energy: -348.240 Base-Backbone interact. energy: -2.743 local terms energy: -407.810209 where: bonds (distance) C4'-P energy: -97.074 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -97.637 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -84.160 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: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1138.424789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.424789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.424789 (E_RNA) where: Base-Base interactions energy: -757.723 where: short stacking energy: -338.183 Base-Backbone interact. energy: 1.855 local terms energy: -382.557141 where: bonds (distance) C4'-P energy: -76.861 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -75.557 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: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -973.886528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.886528 (E_RNA) where: Base-Base interactions energy: -642.903 where: short stacking energy: -277.822 Base-Backbone interact. energy: 0.667 local terms energy: -331.650699 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -76.936 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -59.078 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: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -875.113997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.113997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.113997 (E_RNA) where: Base-Base interactions energy: -536.823 where: short stacking energy: -247.609 Base-Backbone interact. energy: -0.649 local terms energy: -337.642708 where: bonds (distance) C4'-P energy: -88.059 bonds (distance) P-C4' energy: -88.128 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -36.970 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: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -634.084417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.084417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.084417 (E_RNA) where: Base-Base interactions energy: -348.173 where: short stacking energy: -183.488 Base-Backbone interact. energy: -0.134 local terms energy: -285.777419 where: bonds (distance) C4'-P energy: -86.749 bonds (distance) P-C4' energy: -84.307 flat angles C4'-P-C4' energy: -63.629 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -8.020 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: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1782.965452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.965452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.965452 (E_RNA) where: Base-Base interactions energy: -1209.263 where: short stacking energy: -546.986 Base-Backbone interact. energy: -1.323 local terms energy: -572.379533 where: bonds (distance) C4'-P energy: -101.521 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -84.891 tors. eta vs tors. theta energy: -161.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1729.312427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.312427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.312427 (E_RNA) where: Base-Base interactions energy: -1204.044 where: short stacking energy: -519.349 Base-Backbone interact. energy: -2.588 local terms energy: -522.680357 where: bonds (distance) C4'-P energy: -87.771 bonds (distance) P-C4' energy: -101.745 flat angles C4'-P-C4' energy: -107.810 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -154.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1669.836807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.836807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.836807 (E_RNA) where: Base-Base interactions energy: -1175.067 where: short stacking energy: -480.346 Base-Backbone interact. energy: -2.831 local terms energy: -491.938888 where: bonds (distance) C4'-P energy: -88.229 bonds (distance) P-C4' energy: -91.160 flat angles C4'-P-C4' energy: -105.323 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -132.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1614.668565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.668565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.668565 (E_RNA) where: Base-Base interactions energy: -1128.773 where: short stacking energy: -457.410 Base-Backbone interact. energy: -4.125 local terms energy: -481.771118 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -98.128 flat angles C4'-P-C4' energy: -95.149 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -135.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1526.755203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.755203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.755203 (E_RNA) where: Base-Base interactions energy: -1082.710 where: short stacking energy: -438.789 Base-Backbone interact. energy: 1.648 local terms energy: -445.693204 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -110.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1331.918148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.918148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.918148 (E_RNA) where: Base-Base interactions energy: -938.893 where: short stacking energy: -394.504 Base-Backbone interact. energy: 3.329 local terms energy: -396.354515 where: bonds (distance) C4'-P energy: -76.481 bonds (distance) P-C4' energy: -83.751 flat angles C4'-P-C4' energy: -90.192 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -86.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1228.598039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.598039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.598039 (E_RNA) where: Base-Base interactions energy: -827.498 where: short stacking energy: -355.829 Base-Backbone interact. energy: 0.884 local terms energy: -401.983864 where: bonds (distance) C4'-P energy: -71.507 bonds (distance) P-C4' energy: -91.934 flat angles C4'-P-C4' energy: -98.731 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -84.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -886.567859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.567859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.567859 (E_RNA) where: Base-Base interactions energy: -561.130 where: short stacking energy: -269.534 Base-Backbone interact. energy: -3.962 local terms energy: -321.475810 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -49.266 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: 285 Temperature: 1.300000 Total energy: -839.843639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.843639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.843639 (E_RNA) where: Base-Base interactions energy: -518.592 where: short stacking energy: -255.632 Base-Backbone interact. energy: -0.127 local terms energy: -321.124726 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -81.044 flat angles C4'-P-C4' energy: -80.867 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -37.916 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: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -645.736127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.736127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.736127 (E_RNA) where: Base-Base interactions energy: -359.117 where: short stacking energy: -186.969 Base-Backbone interact. energy: -1.982 local terms energy: -284.636967 where: bonds (distance) C4'-P energy: -81.719 bonds (distance) P-C4' energy: -83.764 flat angles C4'-P-C4' energy: -64.239 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1821.297702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.297702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.297702 (E_RNA) where: Base-Base interactions energy: -1249.614 where: short stacking energy: -545.430 Base-Backbone interact. energy: -3.516 local terms energy: -568.167803 where: bonds (distance) C4'-P energy: -95.076 bonds (distance) P-C4' energy: -109.763 flat angles C4'-P-C4' energy: -112.405 flat angles P-C4'-P energy: -82.106 tors. eta vs tors. theta energy: -168.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1736.120040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.120040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.120040 (E_RNA) where: Base-Base interactions energy: -1215.049 where: short stacking energy: -516.129 Base-Backbone interact. energy: -1.924 local terms energy: -519.146537 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -78.634 tors. eta vs tors. theta energy: -150.941 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1671.375109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.375109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.375109 (E_RNA) where: Base-Base interactions energy: -1178.324 where: short stacking energy: -485.474 Base-Backbone interact. energy: -1.358 local terms energy: -491.692932 where: bonds (distance) C4'-P energy: -95.228 bonds (distance) P-C4' energy: -99.960 flat angles C4'-P-C4' energy: -89.201 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -138.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1623.062886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.062886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.062886 (E_RNA) where: Base-Base interactions energy: -1131.409 where: short stacking energy: -455.610 Base-Backbone interact. energy: -3.690 local terms energy: -487.963892 where: bonds (distance) C4'-P energy: -100.186 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -104.208 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -124.479 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: 286 Temperature: 1.100000 Total energy: -1557.456856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.456856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.456856 (E_RNA) where: Base-Base interactions energy: -1086.299 where: short stacking energy: -445.537 Base-Backbone interact. energy: -2.836 local terms energy: -468.322103 where: bonds (distance) C4'-P energy: -78.510 bonds (distance) P-C4' energy: -89.650 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -76.040 tors. eta vs tors. theta energy: -126.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1312.273148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.273148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.273148 (E_RNA) where: Base-Base interactions energy: -901.551 where: short stacking energy: -375.769 Base-Backbone interact. energy: 6.314 local terms energy: -417.036506 where: bonds (distance) C4'-P energy: -68.073 bonds (distance) P-C4' energy: -88.884 flat angles C4'-P-C4' energy: -92.985 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -96.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1255.595062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.595062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.595062 (E_RNA) where: Base-Base interactions energy: -837.127 where: short stacking energy: -360.639 Base-Backbone interact. energy: -0.401 local terms energy: -418.066499 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -101.201 flat angles C4'-P-C4' energy: -92.728 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -92.153 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: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -868.016466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.016466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.016466 (E_RNA) where: Base-Base interactions energy: -549.000 where: short stacking energy: -259.429 Base-Backbone interact. energy: -2.277 local terms energy: -316.738796 where: bonds (distance) C4'-P energy: -69.943 bonds (distance) P-C4' energy: -88.470 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -47.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -789.938821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.938821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.938821 (E_RNA) where: Base-Base interactions energy: -491.210 where: short stacking energy: -228.379 Base-Backbone interact. energy: -1.594 local terms energy: -297.134294 where: bonds (distance) C4'-P energy: -82.239 bonds (distance) P-C4' energy: -71.176 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -24.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -657.223332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.223332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.223332 (E_RNA) where: Base-Base interactions energy: -371.571 where: short stacking energy: -180.391 Base-Backbone interact. energy: -0.420 local terms energy: -285.231777 where: bonds (distance) C4'-P energy: -91.234 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -52.791 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -11.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1791.571893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.571893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.571893 (E_RNA) where: Base-Base interactions energy: -1243.222 where: short stacking energy: -555.504 Base-Backbone interact. energy: -2.151 local terms energy: -546.199002 where: bonds (distance) C4'-P energy: -85.067 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -113.662 flat angles P-C4'-P energy: -83.036 tors. eta vs tors. theta energy: -167.764 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: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1726.190572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.190572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.190572 (E_RNA) where: Base-Base interactions energy: -1201.599 where: short stacking energy: -497.612 Base-Backbone interact. energy: -2.827 local terms energy: -521.764864 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -106.842 flat angles P-C4'-P energy: -79.503 tors. eta vs tors. theta energy: -146.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1666.054468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.054468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.054468 (E_RNA) where: Base-Base interactions energy: -1162.312 where: short stacking energy: -497.734 Base-Backbone interact. energy: -1.893 local terms energy: -501.849212 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -91.657 flat angles C4'-P-C4' energy: -101.844 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -139.574 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: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1607.923516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.923516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.923516 (E_RNA) where: Base-Base interactions energy: -1125.723 where: short stacking energy: -447.092 Base-Backbone interact. energy: -3.037 local terms energy: -479.163768 where: bonds (distance) C4'-P energy: -100.271 bonds (distance) P-C4' energy: -82.678 flat angles C4'-P-C4' energy: -105.569 flat angles P-C4'-P energy: -69.002 tors. eta vs tors. theta energy: -121.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1528.589304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.589304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.589304 (E_RNA) where: Base-Base interactions energy: -1079.542 where: short stacking energy: -440.548 Base-Backbone interact. energy: -2.699 local terms energy: -446.348794 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -69.405 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -61.340 tors. eta vs tors. theta energy: -126.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1311.040085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.040085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.040085 (E_RNA) where: Base-Base interactions energy: -874.259 where: short stacking energy: -367.275 Base-Backbone interact. energy: -1.737 local terms energy: -435.044309 where: bonds (distance) C4'-P energy: -95.366 bonds (distance) P-C4' energy: -94.543 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -84.840 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: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1215.532070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.532070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.532070 (E_RNA) where: Base-Base interactions energy: -818.943 where: short stacking energy: -339.521 Base-Backbone interact. energy: 0.104 local terms energy: -396.693387 where: bonds (distance) C4'-P energy: -72.583 bonds (distance) P-C4' energy: -93.213 flat angles C4'-P-C4' energy: -91.702 flat angles P-C4'-P energy: -58.164 tors. eta vs tors. theta energy: -81.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -870.020773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.020773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.020773 (E_RNA) where: Base-Base interactions energy: -534.158 where: short stacking energy: -280.144 Base-Backbone interact. energy: 2.501 local terms energy: -338.363935 where: bonds (distance) C4'-P energy: -75.689 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -76.961 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: -55.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -769.069380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.069380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.069380 (E_RNA) where: Base-Base interactions energy: -464.838 where: short stacking energy: -227.494 Base-Backbone interact. energy: 0.036 local terms energy: -304.266828 where: bonds (distance) C4'-P energy: -86.193 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -27.267 tors. eta vs tors. theta energy: -28.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -624.578398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.578398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.578398 (E_RNA) where: Base-Base interactions energy: -338.536 where: short stacking energy: -184.250 Base-Backbone interact. energy: 0.585 local terms energy: -286.627356 where: bonds (distance) C4'-P energy: -78.579 bonds (distance) P-C4' energy: -83.029 flat angles C4'-P-C4' energy: -75.538 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: -8.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1802.028613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.028613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.028613 (E_RNA) where: Base-Base interactions energy: -1251.518 where: short stacking energy: -548.830 Base-Backbone interact. energy: -3.337 local terms energy: -547.173182 where: bonds (distance) C4'-P energy: -91.179 bonds (distance) P-C4' energy: -95.092 flat angles C4'-P-C4' energy: -121.271 flat angles P-C4'-P energy: -80.470 tors. eta vs tors. theta energy: -159.160 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: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1737.948827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.948827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.948827 (E_RNA) where: Base-Base interactions energy: -1200.680 where: short stacking energy: -501.148 Base-Backbone interact. energy: -2.922 local terms energy: -534.345937 where: bonds (distance) C4'-P energy: -92.366 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -113.239 flat angles P-C4'-P energy: -74.636 tors. eta vs tors. theta energy: -150.246 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: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1651.519804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.519804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.519804 (E_RNA) where: Base-Base interactions energy: -1160.906 where: short stacking energy: -473.110 Base-Backbone interact. energy: -4.218 local terms energy: -486.395882 where: bonds (distance) C4'-P energy: -86.138 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -110.071 flat angles P-C4'-P energy: -67.802 tors. eta vs tors. theta energy: -137.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1594.183497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.183497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.183497 (E_RNA) where: Base-Base interactions energy: -1114.831 where: short stacking energy: -445.107 Base-Backbone interact. energy: -3.344 local terms energy: -476.008089 where: bonds (distance) C4'-P energy: -94.800 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -121.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1563.592690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.592690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.592690 (E_RNA) where: Base-Base interactions energy: -1107.154 where: short stacking energy: -469.262 Base-Backbone interact. energy: 2.224 local terms energy: -458.663593 where: bonds (distance) C4'-P energy: -85.179 bonds (distance) P-C4' energy: -86.254 flat angles C4'-P-C4' energy: -100.414 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -132.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1319.298556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.298556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.298556 (E_RNA) where: Base-Base interactions energy: -917.622 where: short stacking energy: -369.428 Base-Backbone interact. energy: -1.223 local terms energy: -400.453028 where: bonds (distance) C4'-P energy: -83.408 bonds (distance) P-C4' energy: -88.499 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1196.757420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.757420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.757420 (E_RNA) where: Base-Base interactions energy: -797.366 where: short stacking energy: -363.750 Base-Backbone interact. energy: 0.949 local terms energy: -400.340097 where: bonds (distance) C4'-P energy: -91.486 bonds (distance) P-C4' energy: -84.763 flat angles C4'-P-C4' energy: -93.836 flat angles P-C4'-P energy: -40.278 tors. eta vs tors. theta energy: -89.977 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: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -913.296430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.296430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.296430 (E_RNA) where: Base-Base interactions energy: -577.633 where: short stacking energy: -242.834 Base-Backbone interact. energy: 0.213 local terms energy: -335.875604 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -84.804 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -56.923 tors. eta vs tors. theta energy: -40.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -771.035344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.035344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.035344 (E_RNA) where: Base-Base interactions energy: -442.564 where: short stacking energy: -204.642 Base-Backbone interact. energy: -2.719 local terms energy: -325.752306 where: bonds (distance) C4'-P energy: -81.406 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -68.872 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -37.000 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: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -691.358104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.358104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.358104 (E_RNA) where: Base-Base interactions energy: -416.030 where: short stacking energy: -202.194 Base-Backbone interact. energy: -2.226 local terms energy: -273.102396 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -81.721 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -37.490 tors. eta vs tors. theta energy: -16.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1805.212769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.212769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.212769 (E_RNA) where: Base-Base interactions energy: -1262.382 where: short stacking energy: -564.670 Base-Backbone interact. energy: -0.184 local terms energy: -542.646302 where: bonds (distance) C4'-P energy: -95.955 bonds (distance) P-C4' energy: -100.615 flat angles C4'-P-C4' energy: -107.751 flat angles P-C4'-P energy: -72.312 tors. eta vs tors. theta energy: -166.014 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: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1699.575138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.575138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.575138 (E_RNA) where: Base-Base interactions energy: -1176.770 where: short stacking energy: -500.912 Base-Backbone interact. energy: 1.524 local terms energy: -524.328776 where: bonds (distance) C4'-P energy: -101.756 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -110.024 flat angles P-C4'-P energy: -74.440 tors. eta vs tors. theta energy: -143.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1654.112258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.112258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.112258 (E_RNA) where: Base-Base interactions energy: -1156.640 where: short stacking energy: -487.545 Base-Backbone interact. energy: -3.372 local terms energy: -494.099535 where: bonds (distance) C4'-P energy: -99.660 bonds (distance) P-C4' energy: -83.719 flat angles C4'-P-C4' energy: -106.335 flat angles P-C4'-P energy: -61.452 tors. eta vs tors. theta energy: -142.933 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: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1562.772636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.772636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.772636 (E_RNA) where: Base-Base interactions energy: -1059.943 where: short stacking energy: -446.488 Base-Backbone interact. energy: -2.658 local terms energy: -500.171601 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -107.828 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -121.058 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: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1577.771348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.771348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.771348 (E_RNA) where: Base-Base interactions energy: -1116.124 where: short stacking energy: -462.138 Base-Backbone interact. energy: -0.533 local terms energy: -461.113752 where: bonds (distance) C4'-P energy: -85.129 bonds (distance) P-C4' energy: -88.433 flat angles C4'-P-C4' energy: -99.806 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -130.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1294.933836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.933836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.933836 (E_RNA) where: Base-Base interactions energy: -892.418 where: short stacking energy: -380.108 Base-Backbone interact. energy: 2.370 local terms energy: -404.885229 where: bonds (distance) C4'-P energy: -80.631 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -92.912 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -85.318 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: 289 Temperature: 1.200000 Total energy: -1232.018952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.018952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.018952 (E_RNA) where: Base-Base interactions energy: -843.676 where: short stacking energy: -372.612 Base-Backbone interact. energy: -1.538 local terms energy: -386.805224 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -92.874 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -92.054 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: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -809.424003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.424003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.424003 (E_RNA) where: Base-Base interactions energy: -467.558 where: short stacking energy: -219.232 Base-Backbone interact. energy: 2.516 local terms energy: -344.382192 where: bonds (distance) C4'-P energy: -86.108 bonds (distance) P-C4' energy: -73.113 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -58.080 tors. eta vs tors. theta energy: -39.817 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: 289 Temperature: 1.300000 Total energy: -759.154237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.154237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.154237 (E_RNA) where: Base-Base interactions energy: -433.717 where: short stacking energy: -199.137 Base-Backbone interact. energy: 1.456 local terms energy: -326.893539 where: bonds (distance) C4'-P energy: -88.908 bonds (distance) P-C4' energy: -82.862 flat angles C4'-P-C4' energy: -76.903 flat angles P-C4'-P energy: -44.023 tors. eta vs tors. theta energy: -34.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -635.185978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.185978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.185978 (E_RNA) where: Base-Base interactions energy: -337.300 where: short stacking energy: -187.549 Base-Backbone interact. energy: 0.108 local terms energy: -297.994393 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -84.267 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -53.050 tors. eta vs tors. theta energy: -13.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1802.707821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.707821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.707821 (E_RNA) where: Base-Base interactions energy: -1230.327 where: short stacking energy: -533.010 Base-Backbone interact. energy: 0.758 local terms energy: -573.138750 where: bonds (distance) C4'-P energy: -106.994 bonds (distance) P-C4' energy: -106.657 flat angles C4'-P-C4' energy: -113.919 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: -165.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1705.654942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.654942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.654942 (E_RNA) where: Base-Base interactions energy: -1202.113 where: short stacking energy: -524.533 Base-Backbone interact. energy: -1.984 local terms energy: -501.557915 where: bonds (distance) C4'-P energy: -83.651 bonds (distance) P-C4' energy: -90.190 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -72.773 tors. eta vs tors. theta energy: -152.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1658.877065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.877065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.877065 (E_RNA) where: Base-Base interactions energy: -1153.438 where: short stacking energy: -479.327 Base-Backbone interact. energy: -2.585 local terms energy: -502.853873 where: bonds (distance) C4'-P energy: -95.472 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -109.880 flat angles P-C4'-P energy: -73.957 tors. eta vs tors. theta energy: -127.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1564.968838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.968838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.968838 (E_RNA) where: Base-Base interactions energy: -1110.119 where: short stacking energy: -439.475 Base-Backbone interact. energy: 8.378 local terms energy: -463.228327 where: bonds (distance) C4'-P energy: -91.744 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -95.351 flat angles P-C4'-P energy: -61.174 tors. eta vs tors. theta energy: -120.923 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1568.757816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.757816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.757816 (E_RNA) where: Base-Base interactions energy: -1094.319 where: short stacking energy: -459.224 Base-Backbone interact. energy: -4.180 local terms energy: -470.258056 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -78.532 flat angles C4'-P-C4' energy: -106.732 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -131.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1319.680207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.680207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.680207 (E_RNA) where: Base-Base interactions energy: -887.327 where: short stacking energy: -387.503 Base-Backbone interact. energy: -3.763 local terms energy: -428.589832 where: bonds (distance) C4'-P energy: -81.709 bonds (distance) P-C4' energy: -83.857 flat angles C4'-P-C4' energy: -91.608 flat angles P-C4'-P energy: -77.077 tors. eta vs tors. theta energy: -94.340 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: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1206.439511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.439511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.439511 (E_RNA) where: Base-Base interactions energy: -811.847 where: short stacking energy: -343.724 Base-Backbone interact. energy: -2.764 local terms energy: -391.828033 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: -83.238 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: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -825.310742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.310742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.310742 (E_RNA) where: Base-Base interactions energy: -518.878 where: short stacking energy: -246.018 Base-Backbone interact. energy: 7.365 local terms energy: -313.798175 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -67.557 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -37.701 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: 290 Temperature: 1.300000 Total energy: -777.735719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.735719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.735719 (E_RNA) where: Base-Base interactions energy: -470.336 where: short stacking energy: -247.814 Base-Backbone interact. energy: -1.148 local terms energy: -306.251335 where: bonds (distance) C4'-P energy: -79.406 bonds (distance) P-C4' energy: -79.498 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: -36.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -595.894964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.894964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.894964 (E_RNA) where: Base-Base interactions energy: -315.107 where: short stacking energy: -165.705 Base-Backbone interact. energy: 1.735 local terms energy: -282.522809 where: bonds (distance) C4'-P energy: -81.650 bonds (distance) P-C4' energy: -76.133 flat angles C4'-P-C4' energy: -84.711 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1795.114245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.114245 (E_RNA) where: Base-Base interactions energy: -1246.583 where: short stacking energy: -555.402 Base-Backbone interact. energy: 0.491 local terms energy: -549.022572 where: bonds (distance) C4'-P energy: -90.038 bonds (distance) P-C4' energy: -99.242 flat angles C4'-P-C4' energy: -118.706 flat angles P-C4'-P energy: -84.543 tors. eta vs tors. theta energy: -156.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1746.165388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.165388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.165388 (E_RNA) where: Base-Base interactions energy: -1192.074 where: short stacking energy: -547.212 Base-Backbone interact. energy: -3.317 local terms energy: -550.775095 where: bonds (distance) C4'-P energy: -84.049 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -114.515 flat angles P-C4'-P energy: -75.544 tors. eta vs tors. theta energy: -165.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1656.283337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.283337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.283337 (E_RNA) where: Base-Base interactions energy: -1155.439 where: short stacking energy: -473.157 Base-Backbone interact. energy: -1.369 local terms energy: -499.475331 where: bonds (distance) C4'-P energy: -82.776 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -110.522 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -136.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1606.714625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.714625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.714625 (E_RNA) where: Base-Base interactions energy: -1147.800 where: short stacking energy: -471.954 Base-Backbone interact. energy: 6.558 local terms energy: -465.472190 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -91.972 flat angles C4'-P-C4' energy: -76.709 flat angles P-C4'-P energy: -78.931 tors. eta vs tors. theta energy: -132.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1522.689538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.689538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.689538 (E_RNA) where: Base-Base interactions energy: -1054.570 where: short stacking energy: -436.494 Base-Backbone interact. energy: -3.375 local terms energy: -464.745372 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -86.042 flat angles C4'-P-C4' energy: -107.287 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -123.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1328.709799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.709799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.709799 (E_RNA) where: Base-Base interactions energy: -925.872 where: short stacking energy: -386.935 Base-Backbone interact. energy: -1.275 local terms energy: -401.562606 where: bonds (distance) C4'-P energy: -81.418 bonds (distance) P-C4' energy: -81.988 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -64.414 tors. eta vs tors. theta energy: -80.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1214.717676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.717676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.717676 (E_RNA) where: Base-Base interactions energy: -805.897 where: short stacking energy: -351.577 Base-Backbone interact. energy: -1.150 local terms energy: -407.670622 where: bonds (distance) C4'-P energy: -80.956 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -100.386 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: -78.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -880.362064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.362064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.362064 (E_RNA) where: Base-Base interactions energy: -514.296 where: short stacking energy: -246.916 Base-Backbone interact. energy: -3.071 local terms energy: -362.994930 where: bonds (distance) C4'-P energy: -91.355 bonds (distance) P-C4' energy: -95.146 flat angles C4'-P-C4' energy: -86.980 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -40.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -797.564807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.564807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.564807 (E_RNA) where: Base-Base interactions energy: -461.793 where: short stacking energy: -253.914 Base-Backbone interact. energy: -1.604 local terms energy: -334.167715 where: bonds (distance) C4'-P energy: -87.627 bonds (distance) P-C4' energy: -82.350 flat angles C4'-P-C4' energy: -84.563 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -35.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -627.326400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.326400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.326400 (E_RNA) where: Base-Base interactions energy: -362.164 where: short stacking energy: -223.189 Base-Backbone interact. energy: 0.449 local terms energy: -265.611086 where: bonds (distance) C4'-P energy: -77.931 bonds (distance) P-C4' energy: -86.527 flat angles C4'-P-C4' energy: -46.504 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -16.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1788.803804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.803804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.803804 (E_RNA) where: Base-Base interactions energy: -1235.108 where: short stacking energy: -532.633 Base-Backbone interact. energy: -3.497 local terms energy: -550.198633 where: bonds (distance) C4'-P energy: -102.090 bonds (distance) P-C4' energy: -101.980 flat angles C4'-P-C4' energy: -106.347 flat angles P-C4'-P energy: -76.019 tors. eta vs tors. theta energy: -163.763 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: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1690.055467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.055467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.055467 (E_RNA) where: Base-Base interactions energy: -1174.045 where: short stacking energy: -518.688 Base-Backbone interact. energy: -2.618 local terms energy: -513.392688 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -84.871 flat angles C4'-P-C4' energy: -112.340 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -154.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1656.946800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.946800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.946800 (E_RNA) where: Base-Base interactions energy: -1168.677 where: short stacking energy: -471.301 Base-Backbone interact. energy: 2.011 local terms energy: -490.280970 where: bonds (distance) C4'-P energy: -98.994 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -124.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1606.504971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.504971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.504971 (E_RNA) where: Base-Base interactions energy: -1136.123 where: short stacking energy: -460.330 Base-Backbone interact. energy: 1.860 local terms energy: -472.242186 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -99.722 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -76.186 tors. eta vs tors. theta energy: -114.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1514.037729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.037729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.037729 (E_RNA) where: Base-Base interactions energy: -1051.983 where: short stacking energy: -444.787 Base-Backbone interact. energy: -0.994 local terms energy: -461.060539 where: bonds (distance) C4'-P energy: -82.915 bonds (distance) P-C4' energy: -96.594 flat angles C4'-P-C4' energy: -100.261 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -119.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1365.147015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.147015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.147015 (E_RNA) where: Base-Base interactions energy: -921.930 where: short stacking energy: -412.653 Base-Backbone interact. energy: -2.738 local terms energy: -440.479332 where: bonds (distance) C4'-P energy: -86.115 bonds (distance) P-C4' energy: -80.504 flat angles C4'-P-C4' energy: -97.048 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -107.838 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: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1267.862456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.862456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.862456 (E_RNA) where: Base-Base interactions energy: -858.392 where: short stacking energy: -352.846 Base-Backbone interact. energy: -1.545 local terms energy: -407.925197 where: bonds (distance) C4'-P energy: -85.170 bonds (distance) P-C4' energy: -82.776 flat angles C4'-P-C4' energy: -99.071 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -80.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -862.102387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.102387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.102387 (E_RNA) where: Base-Base interactions energy: -564.119 where: short stacking energy: -266.145 Base-Backbone interact. energy: -1.570 local terms energy: -296.414192 where: bonds (distance) C4'-P energy: -56.553 bonds (distance) P-C4' energy: -84.042 flat angles C4'-P-C4' energy: -70.104 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -43.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -785.132842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.132842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.132842 (E_RNA) where: Base-Base interactions energy: -479.924 where: short stacking energy: -202.632 Base-Backbone interact. energy: 2.073 local terms energy: -307.282223 where: bonds (distance) C4'-P energy: -79.716 bonds (distance) P-C4' energy: -75.640 flat angles C4'-P-C4' energy: -91.421 flat angles P-C4'-P energy: -41.228 tors. eta vs tors. theta energy: -19.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -624.455408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.455408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.455408 (E_RNA) where: Base-Base interactions energy: -328.264 where: short stacking energy: -177.702 Base-Backbone interact. energy: -2.244 local terms energy: -293.946843 where: bonds (distance) C4'-P energy: -86.131 bonds (distance) P-C4' energy: -78.514 flat angles C4'-P-C4' energy: -77.433 flat angles P-C4'-P energy: -35.483 tors. eta vs tors. theta energy: -16.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1794.127526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.127526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.127526 (E_RNA) where: Base-Base interactions energy: -1216.908 where: short stacking energy: -547.919 Base-Backbone interact. energy: -2.595 local terms energy: -574.624308 where: bonds (distance) C4'-P energy: -109.050 bonds (distance) P-C4' energy: -103.258 flat angles C4'-P-C4' energy: -112.856 flat angles P-C4'-P energy: -88.899 tors. eta vs tors. theta energy: -160.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1682.949909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.949909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.949909 (E_RNA) where: Base-Base interactions energy: -1159.809 where: short stacking energy: -498.528 Base-Backbone interact. energy: -1.855 local terms energy: -521.286102 where: bonds (distance) C4'-P energy: -94.710 bonds (distance) P-C4' energy: -97.991 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -69.669 tors. eta vs tors. theta energy: -145.781 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: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1609.310539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.310539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.310539 (E_RNA) where: Base-Base interactions energy: -1122.203 where: short stacking energy: -456.295 Base-Backbone interact. energy: -0.364 local terms energy: -486.743678 where: bonds (distance) C4'-P energy: -85.504 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -108.083 flat angles P-C4'-P energy: -73.702 tors. eta vs tors. theta energy: -128.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1605.676429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.676429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.676429 (E_RNA) where: Base-Base interactions energy: -1138.508 where: short stacking energy: -452.434 Base-Backbone interact. energy: -0.481 local terms energy: -466.687865 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -99.004 flat angles C4'-P-C4' energy: -98.564 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -134.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1517.262099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.262099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.262099 (E_RNA) where: Base-Base interactions energy: -1046.550 where: short stacking energy: -448.723 Base-Backbone interact. energy: -2.307 local terms energy: -468.405569 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -98.447 flat angles C4'-P-C4' energy: -94.923 flat angles P-C4'-P energy: -70.054 tors. eta vs tors. theta energy: -118.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1335.284315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.284315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.284315 (E_RNA) where: Base-Base interactions energy: -913.981 where: short stacking energy: -382.925 Base-Backbone interact. energy: -0.297 local terms energy: -421.005724 where: bonds (distance) C4'-P energy: -87.347 bonds (distance) P-C4' energy: -91.091 flat angles C4'-P-C4' energy: -93.534 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -100.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1224.121819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.121819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.121819 (E_RNA) where: Base-Base interactions energy: -838.718 where: short stacking energy: -345.672 Base-Backbone interact. energy: -0.722 local terms energy: -384.681957 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -97.450 flat angles P-C4'-P energy: -53.464 tors. eta vs tors. theta energy: -75.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -896.054223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.054223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.054223 (E_RNA) where: Base-Base interactions energy: -547.178 where: short stacking energy: -259.068 Base-Backbone interact. energy: 0.476 local terms energy: -349.352018 where: bonds (distance) C4'-P energy: -82.075 bonds (distance) P-C4' energy: -84.297 flat angles C4'-P-C4' energy: -92.258 flat angles P-C4'-P energy: -37.405 tors. eta vs tors. theta energy: -53.317 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: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -744.868012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.868012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.868012 (E_RNA) where: Base-Base interactions energy: -431.819 where: short stacking energy: -216.920 Base-Backbone interact. energy: 0.037 local terms energy: -313.086092 where: bonds (distance) C4'-P energy: -84.961 bonds (distance) P-C4' energy: -73.683 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -23.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -644.948025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.948025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.948025 (E_RNA) where: Base-Base interactions energy: -349.720 where: short stacking energy: -188.867 Base-Backbone interact. energy: -3.684 local terms energy: -291.544537 where: bonds (distance) C4'-P energy: -68.461 bonds (distance) P-C4' energy: -87.769 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1786.579315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.579315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.579315 (E_RNA) where: Base-Base interactions energy: -1208.320 where: short stacking energy: -530.502 Base-Backbone interact. energy: -2.491 local terms energy: -575.768556 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -108.223 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -158.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1708.925215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.925215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.925215 (E_RNA) where: Base-Base interactions energy: -1168.740 where: short stacking energy: -513.548 Base-Backbone interact. energy: -0.970 local terms energy: -539.214651 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -102.797 flat angles C4'-P-C4' energy: -118.107 flat angles P-C4'-P energy: -72.608 tors. eta vs tors. theta energy: -150.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1656.125656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.125656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.125656 (E_RNA) where: Base-Base interactions energy: -1150.971 where: short stacking energy: -490.739 Base-Backbone interact. energy: -2.789 local terms energy: -502.366489 where: bonds (distance) C4'-P energy: -81.574 bonds (distance) P-C4' energy: -103.803 flat angles C4'-P-C4' energy: -109.233 flat angles P-C4'-P energy: -67.278 tors. eta vs tors. theta energy: -140.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1577.826340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.826340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.826340 (E_RNA) where: Base-Base interactions energy: -1105.039 where: short stacking energy: -439.091 Base-Backbone interact. energy: -1.674 local terms energy: -471.113411 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -97.205 flat angles P-C4'-P energy: -60.952 tors. eta vs tors. theta energy: -118.476 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: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1521.454723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.454723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.454723 (E_RNA) where: Base-Base interactions energy: -1062.441 where: short stacking energy: -463.760 Base-Backbone interact. energy: -0.491 local terms energy: -458.522566 where: bonds (distance) C4'-P energy: -88.737 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -102.436 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -123.910 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: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1391.757959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.757959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.757959 (E_RNA) where: Base-Base interactions energy: -957.398 where: short stacking energy: -397.622 Base-Backbone interact. energy: -4.274 local terms energy: -430.086481 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -88.166 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -55.350 tors. eta vs tors. theta energy: -99.043 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: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1245.786973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.786973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.786973 (E_RNA) where: Base-Base interactions energy: -836.375 where: short stacking energy: -352.547 Base-Backbone interact. energy: -0.936 local terms energy: -408.475847 where: bonds (distance) C4'-P energy: -77.075 bonds (distance) P-C4' energy: -90.575 flat angles C4'-P-C4' energy: -102.760 flat angles P-C4'-P energy: -52.762 tors. eta vs tors. theta energy: -85.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -916.950323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.950323 (E_RNA) where: Base-Base interactions energy: -568.285 where: short stacking energy: -247.437 Base-Backbone interact. energy: -1.971 local terms energy: -346.694029 where: bonds (distance) C4'-P energy: -89.502 bonds (distance) P-C4' energy: -86.225 flat angles C4'-P-C4' energy: -83.532 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -37.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -759.678932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.678932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.678932 (E_RNA) where: Base-Base interactions energy: -467.269 where: short stacking energy: -233.045 Base-Backbone interact. energy: 1.846 local terms energy: -294.255283 where: bonds (distance) C4'-P energy: -67.123 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -611.136728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.136728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.136728 (E_RNA) where: Base-Base interactions energy: -330.451 where: short stacking energy: -175.524 Base-Backbone interact. energy: -1.952 local terms energy: -278.733935 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -81.788 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -0.813 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: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1766.531523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.531523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.531523 (E_RNA) where: Base-Base interactions energy: -1209.180 where: short stacking energy: -526.513 Base-Backbone interact. energy: -3.635 local terms energy: -553.717176 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -97.791 flat angles C4'-P-C4' energy: -114.403 flat angles P-C4'-P energy: -80.700 tors. eta vs tors. theta energy: -163.541 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: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1715.785880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.785880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.785880 (E_RNA) where: Base-Base interactions energy: -1183.903 where: short stacking energy: -510.785 Base-Backbone interact. energy: -0.900 local terms energy: -530.982955 where: bonds (distance) C4'-P energy: -99.093 bonds (distance) P-C4' energy: -103.832 flat angles C4'-P-C4' energy: -110.706 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -146.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1696.652761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.652761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.652761 (E_RNA) where: Base-Base interactions energy: -1209.502 where: short stacking energy: -491.026 Base-Backbone interact. energy: -2.521 local terms energy: -484.629331 where: bonds (distance) C4'-P energy: -88.132 bonds (distance) P-C4' energy: -91.834 flat angles C4'-P-C4' energy: -102.808 flat angles P-C4'-P energy: -62.143 tors. eta vs tors. theta energy: -139.712 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1603.772918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.772918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.772918 (E_RNA) where: Base-Base interactions energy: -1136.670 where: short stacking energy: -463.616 Base-Backbone interact. energy: -0.817 local terms energy: -466.285983 where: bonds (distance) C4'-P energy: -78.535 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -103.211 flat angles P-C4'-P energy: -57.266 tors. eta vs tors. theta energy: -138.520 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: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1588.640476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.640476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.640476 (E_RNA) where: Base-Base interactions energy: -1113.279 where: short stacking energy: -439.797 Base-Backbone interact. energy: -5.076 local terms energy: -470.285860 where: bonds (distance) C4'-P energy: -85.902 bonds (distance) P-C4' energy: -94.113 flat angles C4'-P-C4' energy: -104.184 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -121.637 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: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1303.232382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.232382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.232382 (E_RNA) where: Base-Base interactions energy: -885.905 where: short stacking energy: -412.535 Base-Backbone interact. energy: -1.964 local terms energy: -415.363390 where: bonds (distance) C4'-P energy: -84.153 bonds (distance) P-C4' energy: -85.061 flat angles C4'-P-C4' energy: -88.206 flat angles P-C4'-P energy: -50.827 tors. eta vs tors. theta energy: -107.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1263.070584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.070584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.070584 (E_RNA) where: Base-Base interactions energy: -866.580 where: short stacking energy: -353.106 Base-Backbone interact. energy: 1.342 local terms energy: -397.832454 where: bonds (distance) C4'-P energy: -73.325 bonds (distance) P-C4' energy: -80.796 flat angles C4'-P-C4' energy: -102.501 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -87.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -935.270959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.270959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.270959 (E_RNA) where: Base-Base interactions energy: -583.572 where: short stacking energy: -271.529 Base-Backbone interact. energy: -0.116 local terms energy: -351.582796 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -93.286 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: -43.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -787.772586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.772586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.772586 (E_RNA) where: Base-Base interactions energy: -460.213 where: short stacking energy: -234.100 Base-Backbone interact. energy: -1.728 local terms energy: -325.831137 where: bonds (distance) C4'-P energy: -74.612 bonds (distance) P-C4' energy: -92.303 flat angles C4'-P-C4' energy: -81.970 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -31.287 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: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -628.002090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.002090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.002090 (E_RNA) where: Base-Base interactions energy: -366.985 where: short stacking energy: -206.923 Base-Backbone interact. energy: 3.346 local terms energy: -264.362667 where: bonds (distance) C4'-P energy: -66.919 bonds (distance) P-C4' energy: -87.157 flat angles C4'-P-C4' energy: -63.695 flat angles P-C4'-P energy: -37.748 tors. eta vs tors. theta energy: -8.844 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: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1788.010483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.010483 (E_RNA) where: Base-Base interactions energy: -1241.619 where: short stacking energy: -537.489 Base-Backbone interact. energy: -2.582 local terms energy: -543.809018 where: bonds (distance) C4'-P energy: -109.157 bonds (distance) P-C4' energy: -98.977 flat angles C4'-P-C4' energy: -114.865 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -156.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1717.720563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.720563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.720563 (E_RNA) where: Base-Base interactions energy: -1195.139 where: short stacking energy: -520.026 Base-Backbone interact. energy: -2.040 local terms energy: -520.541055 where: bonds (distance) C4'-P energy: -94.694 bonds (distance) P-C4' energy: -88.285 flat angles C4'-P-C4' energy: -109.714 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -151.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1721.434181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.434181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.434181 (E_RNA) where: Base-Base interactions energy: -1218.104 where: short stacking energy: -501.146 Base-Backbone interact. energy: -3.070 local terms energy: -500.260201 where: bonds (distance) C4'-P energy: -94.091 bonds (distance) P-C4' energy: -89.566 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -71.806 tors. eta vs tors. theta energy: -143.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1598.966174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.966174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.966174 (E_RNA) where: Base-Base interactions energy: -1116.708 where: short stacking energy: -445.409 Base-Backbone interact. energy: 0.502 local terms energy: -482.759881 where: bonds (distance) C4'-P energy: -97.578 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -96.877 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -129.877 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: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1556.421767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.421767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.421767 (E_RNA) where: Base-Base interactions energy: -1101.423 where: short stacking energy: -455.389 Base-Backbone interact. energy: -3.686 local terms energy: -451.312511 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -74.782 tors. eta vs tors. theta energy: -121.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1304.176741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.176741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.176741 (E_RNA) where: Base-Base interactions energy: -881.506 where: short stacking energy: -412.280 Base-Backbone interact. energy: -0.827 local terms energy: -421.843596 where: bonds (distance) C4'-P energy: -77.559 bonds (distance) P-C4' energy: -90.008 flat angles C4'-P-C4' energy: -92.516 flat angles P-C4'-P energy: -55.227 tors. eta vs tors. theta energy: -106.532 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1270.825215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.825215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.825215 (E_RNA) where: Base-Base interactions energy: -895.502 where: short stacking energy: -370.049 Base-Backbone interact. energy: 5.555 local terms energy: -380.877530 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -93.014 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1079.185057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.185057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.185057 (E_RNA) where: Base-Base interactions energy: -706.208 where: short stacking energy: -285.925 Base-Backbone interact. energy: -1.959 local terms energy: -371.018121 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -73.530 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -70.243 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: 296 Temperature: 1.300000 Total energy: -810.138700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.138700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.138700 (E_RNA) where: Base-Base interactions energy: -484.120 where: short stacking energy: -235.090 Base-Backbone interact. energy: -2.415 local terms energy: -323.603642 where: bonds (distance) C4'-P energy: -69.115 bonds (distance) P-C4' energy: -77.303 flat angles C4'-P-C4' energy: -94.320 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -35.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -671.009670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.009670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.009670 (E_RNA) where: Base-Base interactions energy: -366.385 where: short stacking energy: -203.912 Base-Backbone interact. energy: 4.974 local terms energy: -309.598580 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -87.106 flat angles C4'-P-C4' energy: -79.613 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: -25.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1809.052727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.052727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.052727 (E_RNA) where: Base-Base interactions energy: -1230.795 where: short stacking energy: -531.758 Base-Backbone interact. energy: 0.763 local terms energy: -579.020383 where: bonds (distance) C4'-P energy: -107.803 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -123.576 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -164.693 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1703.069888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.069888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.069888 (E_RNA) where: Base-Base interactions energy: -1185.174 where: short stacking energy: -524.638 Base-Backbone interact. energy: -3.186 local terms energy: -514.710594 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -100.571 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -67.995 tors. eta vs tors. theta energy: -144.510 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: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1702.510816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.510816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.510816 (E_RNA) where: Base-Base interactions energy: -1182.888 where: short stacking energy: -495.950 Base-Backbone interact. energy: -3.279 local terms energy: -516.344225 where: bonds (distance) C4'-P energy: -83.766 bonds (distance) P-C4' energy: -107.291 flat angles C4'-P-C4' energy: -101.018 flat angles P-C4'-P energy: -78.428 tors. eta vs tors. theta energy: -145.841 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: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1623.627703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.627703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.627703 (E_RNA) where: Base-Base interactions energy: -1158.348 where: short stacking energy: -472.676 Base-Backbone interact. energy: -0.812 local terms energy: -464.468162 where: bonds (distance) C4'-P energy: -91.048 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -93.606 flat angles P-C4'-P energy: -62.722 tors. eta vs tors. theta energy: -128.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1524.071115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.071115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.071115 (E_RNA) where: Base-Base interactions energy: -1048.671 where: short stacking energy: -448.469 Base-Backbone interact. energy: -4.519 local terms energy: -470.881401 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -99.045 flat angles C4'-P-C4' energy: -92.754 flat angles P-C4'-P energy: -69.198 tors. eta vs tors. theta energy: -123.924 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: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1270.094171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.094171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.094171 (E_RNA) where: Base-Base interactions energy: -866.861 where: short stacking energy: -348.152 Base-Backbone interact. energy: -0.388 local terms energy: -402.845577 where: bonds (distance) C4'-P energy: -88.675 bonds (distance) P-C4' energy: -93.928 flat angles C4'-P-C4' energy: -100.455 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -65.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1278.932830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.932830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.932830 (E_RNA) where: Base-Base interactions energy: -884.264 where: short stacking energy: -391.203 Base-Backbone interact. energy: -1.992 local terms energy: -392.677063 where: bonds (distance) C4'-P energy: -81.627 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -94.983 flat angles P-C4'-P energy: -45.840 tors. eta vs tors. theta energy: -99.595 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: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -966.455007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.455007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.455007 (E_RNA) where: Base-Base interactions energy: -627.196 where: short stacking energy: -285.153 Base-Backbone interact. energy: 1.760 local terms energy: -341.018584 where: bonds (distance) C4'-P energy: -59.862 bonds (distance) P-C4' energy: -89.836 flat angles C4'-P-C4' energy: -88.179 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: -59.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -775.383421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.383421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.383421 (E_RNA) where: Base-Base interactions energy: -466.495 where: short stacking energy: -245.418 Base-Backbone interact. energy: 1.205 local terms energy: -310.093474 where: bonds (distance) C4'-P energy: -61.991 bonds (distance) P-C4' energy: -85.843 flat angles C4'-P-C4' energy: -68.212 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: -38.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -657.151518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.151518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.151518 (E_RNA) where: Base-Base interactions energy: -354.415 where: short stacking energy: -167.033 Base-Backbone interact. energy: -1.564 local terms energy: -301.172837 where: bonds (distance) C4'-P energy: -96.363 bonds (distance) P-C4' energy: -71.965 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1785.169872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.169872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.169872 (E_RNA) where: Base-Base interactions energy: -1221.000 where: short stacking energy: -532.735 Base-Backbone interact. energy: -2.310 local terms energy: -561.859660 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -104.217 flat angles C4'-P-C4' energy: -117.781 flat angles P-C4'-P energy: -80.881 tors. eta vs tors. theta energy: -161.631 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: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1718.394391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.394391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.394391 (E_RNA) where: Base-Base interactions energy: -1184.833 where: short stacking energy: -528.584 Base-Backbone interact. energy: -1.967 local terms energy: -531.594164 where: bonds (distance) C4'-P energy: -90.983 bonds (distance) P-C4' energy: -100.420 flat angles C4'-P-C4' energy: -112.163 flat angles P-C4'-P energy: -78.140 tors. eta vs tors. theta energy: -149.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1685.801377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.801377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.801377 (E_RNA) where: Base-Base interactions energy: -1182.816 where: short stacking energy: -490.533 Base-Backbone interact. energy: -4.315 local terms energy: -498.670661 where: bonds (distance) C4'-P energy: -89.508 bonds (distance) P-C4' energy: -88.589 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: -149.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1603.611168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.611168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.611168 (E_RNA) where: Base-Base interactions energy: -1125.971 where: short stacking energy: -449.093 Base-Backbone interact. energy: -0.403 local terms energy: -477.237502 where: bonds (distance) C4'-P energy: -97.310 bonds (distance) P-C4' energy: -91.601 flat angles C4'-P-C4' energy: -101.599 flat angles P-C4'-P energy: -61.890 tors. eta vs tors. theta energy: -124.838 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: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1547.481409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.481409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.481409 (E_RNA) where: Base-Base interactions energy: -1086.338 where: short stacking energy: -424.021 Base-Backbone interact. energy: -2.599 local terms energy: -458.543984 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -104.549 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -113.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1264.446912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.446912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.446912 (E_RNA) where: Base-Base interactions energy: -869.317 where: short stacking energy: -362.094 Base-Backbone interact. energy: -3.615 local terms energy: -391.514567 where: bonds (distance) C4'-P energy: -85.528 bonds (distance) P-C4' energy: -86.841 flat angles C4'-P-C4' energy: -89.442 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -84.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1262.095329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.095329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.095329 (E_RNA) where: Base-Base interactions energy: -846.367 where: short stacking energy: -361.278 Base-Backbone interact. energy: -1.760 local terms energy: -413.968580 where: bonds (distance) C4'-P energy: -78.325 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -97.462 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: -97.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -975.345727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.345727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.345727 (E_RNA) where: Base-Base interactions energy: -611.792 where: short stacking energy: -295.670 Base-Backbone interact. energy: -0.308 local terms energy: -363.245640 where: bonds (distance) C4'-P energy: -80.833 bonds (distance) P-C4' energy: -89.043 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -59.453 tors. eta vs tors. theta energy: -67.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -795.232970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.232970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.232970 (E_RNA) where: Base-Base interactions energy: -490.572 where: short stacking energy: -248.769 Base-Backbone interact. energy: -1.341 local terms energy: -303.320329 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -74.026 flat angles C4'-P-C4' energy: -73.768 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -43.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -624.962556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.962556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.962556 (E_RNA) where: Base-Base interactions energy: -329.662 where: short stacking energy: -172.564 Base-Backbone interact. energy: -1.970 local terms energy: -293.330804 where: bonds (distance) C4'-P energy: -78.170 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -60.527 flat angles P-C4'-P energy: -43.830 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1798.723457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.723457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.723457 (E_RNA) where: Base-Base interactions energy: -1239.943 where: short stacking energy: -548.864 Base-Backbone interact. energy: -2.045 local terms energy: -556.734925 where: bonds (distance) C4'-P energy: -92.857 bonds (distance) P-C4' energy: -106.571 flat angles C4'-P-C4' energy: -118.790 flat angles P-C4'-P energy: -80.901 tors. eta vs tors. theta energy: -157.616 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1724.275409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.275409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.275409 (E_RNA) where: Base-Base interactions energy: -1183.044 where: short stacking energy: -537.187 Base-Backbone interact. energy: -3.223 local terms energy: -538.009174 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -102.086 flat angles C4'-P-C4' energy: -104.033 flat angles P-C4'-P energy: -75.095 tors. eta vs tors. theta energy: -156.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1687.900348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.900348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.900348 (E_RNA) where: Base-Base interactions energy: -1191.981 where: short stacking energy: -466.076 Base-Backbone interact. energy: -3.829 local terms energy: -492.090390 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -113.024 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -131.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1593.211921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.211921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.211921 (E_RNA) where: Base-Base interactions energy: -1104.258 where: short stacking energy: -443.510 Base-Backbone interact. energy: -1.761 local terms energy: -487.193474 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -115.285 flat angles P-C4'-P energy: -81.226 tors. eta vs tors. theta energy: -115.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1573.902314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.902314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.902314 (E_RNA) where: Base-Base interactions energy: -1082.636 where: short stacking energy: -436.260 Base-Backbone interact. energy: -3.279 local terms energy: -487.987010 where: bonds (distance) C4'-P energy: -92.051 bonds (distance) P-C4' energy: -97.770 flat angles C4'-P-C4' energy: -108.359 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -118.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1319.971564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.971564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.971564 (E_RNA) where: Base-Base interactions energy: -872.080 where: short stacking energy: -411.053 Base-Backbone interact. energy: -0.222 local terms energy: -447.669981 where: bonds (distance) C4'-P energy: -77.034 bonds (distance) P-C4' energy: -102.423 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -120.851 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: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1288.359018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.359018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.359018 (E_RNA) where: Base-Base interactions energy: -891.460 where: short stacking energy: -362.522 Base-Backbone interact. energy: -0.438 local terms energy: -396.460118 where: bonds (distance) C4'-P energy: -89.835 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -93.521 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -72.863 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: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -974.457546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.457546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.457546 (E_RNA) where: Base-Base interactions energy: -635.639 where: short stacking energy: -278.530 Base-Backbone interact. energy: 1.213 local terms energy: -340.031446 where: bonds (distance) C4'-P energy: -88.999 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -48.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -779.897214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.897214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.897214 (E_RNA) where: Base-Base interactions energy: -464.178 where: short stacking energy: -247.575 Base-Backbone interact. energy: -3.297 local terms energy: -312.422819 where: bonds (distance) C4'-P energy: -72.277 bonds (distance) P-C4' energy: -72.561 flat angles C4'-P-C4' energy: -80.478 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: -30.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -627.483692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.483692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.483692 (E_RNA) where: Base-Base interactions energy: -358.651 where: short stacking energy: -178.221 Base-Backbone interact. energy: 0.142 local terms energy: -268.974527 where: bonds (distance) C4'-P energy: -80.172 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -62.203 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -11.260 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: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1782.343046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.343046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.343046 (E_RNA) where: Base-Base interactions energy: -1235.954 where: short stacking energy: -542.178 Base-Backbone interact. energy: -3.389 local terms energy: -542.999468 where: bonds (distance) C4'-P energy: -95.884 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -123.073 flat angles P-C4'-P energy: -77.061 tors. eta vs tors. theta energy: -161.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1744.701969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.701969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.701969 (E_RNA) where: Base-Base interactions energy: -1205.375 where: short stacking energy: -531.932 Base-Backbone interact. energy: 0.997 local terms energy: -540.324168 where: bonds (distance) C4'-P energy: -99.945 bonds (distance) P-C4' energy: -89.918 flat angles C4'-P-C4' energy: -120.165 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -147.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1703.240202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.240202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.240202 (E_RNA) where: Base-Base interactions energy: -1216.478 where: short stacking energy: -509.144 Base-Backbone interact. energy: 1.100 local terms energy: -487.861401 where: bonds (distance) C4'-P energy: -79.159 bonds (distance) P-C4' energy: -101.280 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -141.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1616.614665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.614665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.614665 (E_RNA) where: Base-Base interactions energy: -1140.300 where: short stacking energy: -476.699 Base-Backbone interact. energy: -1.337 local terms energy: -474.977456 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -86.194 flat angles C4'-P-C4' energy: -96.802 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -127.253 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: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1549.198042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.198042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.198042 (E_RNA) where: Base-Base interactions energy: -1077.650 where: short stacking energy: -442.232 Base-Backbone interact. energy: -3.446 local terms energy: -468.102113 where: bonds (distance) C4'-P energy: -87.682 bonds (distance) P-C4' energy: -86.807 flat angles C4'-P-C4' energy: -107.146 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: -118.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1285.752729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.752729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.752729 (E_RNA) where: Base-Base interactions energy: -883.395 where: short stacking energy: -377.663 Base-Backbone interact. energy: 1.451 local terms energy: -403.809583 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -78.064 flat angles C4'-P-C4' energy: -89.851 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -95.110 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: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1291.870045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.870045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.870045 (E_RNA) where: Base-Base interactions energy: -909.319 where: short stacking energy: -370.969 Base-Backbone interact. energy: -2.321 local terms energy: -380.230311 where: bonds (distance) C4'-P energy: -78.628 bonds (distance) P-C4' energy: -83.487 flat angles C4'-P-C4' energy: -90.653 flat angles P-C4'-P energy: -50.780 tors. eta vs tors. theta energy: -76.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -968.133823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.133823 (E_RNA) where: Base-Base interactions energy: -621.493 where: short stacking energy: -270.868 Base-Backbone interact. energy: -1.629 local terms energy: -345.012386 where: bonds (distance) C4'-P energy: -69.756 bonds (distance) P-C4' energy: -96.573 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -55.071 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: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -808.276635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.276635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.276635 (E_RNA) where: Base-Base interactions energy: -490.342 where: short stacking energy: -224.516 Base-Backbone interact. energy: 0.942 local terms energy: -318.876972 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -89.752 flat angles C4'-P-C4' energy: -81.488 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: -31.796 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: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -635.290946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.290946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.290946 (E_RNA) where: Base-Base interactions energy: -351.850 where: short stacking energy: -181.242 Base-Backbone interact. energy: 4.259 local terms energy: -287.699251 where: bonds (distance) C4'-P energy: -85.114 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: -8.030 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: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1805.758352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.758352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.758352 (E_RNA) where: Base-Base interactions energy: -1234.604 where: short stacking energy: -558.080 Base-Backbone interact. energy: -5.101 local terms energy: -566.052761 where: bonds (distance) C4'-P energy: -106.083 bonds (distance) P-C4' energy: -99.312 flat angles C4'-P-C4' energy: -114.697 flat angles P-C4'-P energy: -83.776 tors. eta vs tors. theta energy: -162.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1734.446332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.446332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.446332 (E_RNA) where: Base-Base interactions energy: -1179.001 where: short stacking energy: -522.441 Base-Backbone interact. energy: -3.358 local terms energy: -552.086697 where: bonds (distance) C4'-P energy: -97.473 bonds (distance) P-C4' energy: -107.579 flat angles C4'-P-C4' energy: -113.432 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -160.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1691.691277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.691277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.691277 (E_RNA) where: Base-Base interactions energy: -1205.381 where: short stacking energy: -486.538 Base-Backbone interact. energy: -2.007 local terms energy: -484.302999 where: bonds (distance) C4'-P energy: -91.264 bonds (distance) P-C4' energy: -104.541 flat angles C4'-P-C4' energy: -105.323 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -128.178 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1572.998040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.998040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.998040 (E_RNA) where: Base-Base interactions energy: -1099.627 where: short stacking energy: -472.170 Base-Backbone interact. energy: 0.705 local terms energy: -474.076159 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -96.923 flat angles C4'-P-C4' energy: -97.746 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -118.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1524.474752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.474752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.474752 (E_RNA) where: Base-Base interactions energy: -1069.948 where: short stacking energy: -447.119 Base-Backbone interact. energy: -0.376 local terms energy: -454.151040 where: bonds (distance) C4'-P energy: -85.468 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -98.621 flat angles P-C4'-P energy: -67.017 tors. eta vs tors. theta energy: -121.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1331.157178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.157178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.157178 (E_RNA) where: Base-Base interactions energy: -899.380 where: short stacking energy: -399.967 Base-Backbone interact. energy: 0.090 local terms energy: -431.867200 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -86.968 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -107.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1291.591707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.591707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.591707 (E_RNA) where: Base-Base interactions energy: -923.664 where: short stacking energy: -372.012 Base-Backbone interact. energy: -2.135 local terms energy: -365.792678 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -81.727 flat angles C4'-P-C4' energy: -89.391 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -78.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1029.217410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.217410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.217410 (E_RNA) where: Base-Base interactions energy: -656.926 where: short stacking energy: -313.188 Base-Backbone interact. energy: -1.260 local terms energy: -371.031922 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -86.218 flat angles C4'-P-C4' energy: -93.663 flat angles P-C4'-P energy: -48.319 tors. eta vs tors. theta energy: -66.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -821.664917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.664917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.664917 (E_RNA) where: Base-Base interactions energy: -486.003 where: short stacking energy: -211.728 Base-Backbone interact. energy: -2.438 local terms energy: -333.224217 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -96.806 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -49.834 tors. eta vs tors. theta energy: -21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -615.155323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.155323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.155323 (E_RNA) where: Base-Base interactions energy: -350.049 where: short stacking energy: -180.620 Base-Backbone interact. energy: -2.401 local terms energy: -262.705461 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -53.324 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -12.817 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: 302 Temperature: 0.900000 Total energy: -1792.717239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.717239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.717239 (E_RNA) where: Base-Base interactions energy: -1222.865 where: short stacking energy: -544.725 Base-Backbone interact. energy: -3.396 local terms energy: -566.456135 where: bonds (distance) C4'-P energy: -106.146 bonds (distance) P-C4' energy: -100.789 flat angles C4'-P-C4' energy: -108.074 flat angles P-C4'-P energy: -86.571 tors. eta vs tors. theta energy: -164.876 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: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1735.647740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.647740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.647740 (E_RNA) where: Base-Base interactions energy: -1191.217 where: short stacking energy: -509.047 Base-Backbone interact. energy: -1.395 local terms energy: -543.036682 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -107.697 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -150.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1700.858578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.858578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.858578 (E_RNA) where: Base-Base interactions energy: -1214.974 where: short stacking energy: -486.235 Base-Backbone interact. energy: -4.109 local terms energy: -481.775430 where: bonds (distance) C4'-P energy: -83.464 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -100.013 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -135.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1637.315615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.315615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.315615 (E_RNA) where: Base-Base interactions energy: -1148.017 where: short stacking energy: -473.884 Base-Backbone interact. energy: 4.907 local terms energy: -494.205149 where: bonds (distance) C4'-P energy: -103.006 bonds (distance) P-C4' energy: -80.922 flat angles C4'-P-C4' energy: -106.282 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -132.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1494.982632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.982632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.982632 (E_RNA) where: Base-Base interactions energy: -1045.677 where: short stacking energy: -438.428 Base-Backbone interact. energy: 0.737 local terms energy: -450.042546 where: bonds (distance) C4'-P energy: -86.143 bonds (distance) P-C4' energy: -67.157 flat angles C4'-P-C4' energy: -99.294 flat angles P-C4'-P energy: -69.673 tors. eta vs tors. theta energy: -127.776 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: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1315.931765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.931765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.931765 (E_RNA) where: Base-Base interactions energy: -878.959 where: short stacking energy: -382.280 Base-Backbone interact. energy: -0.290 local terms energy: -436.683323 where: bonds (distance) C4'-P energy: -90.785 bonds (distance) P-C4' energy: -95.374 flat angles C4'-P-C4' energy: -98.000 flat angles P-C4'-P energy: -56.810 tors. eta vs tors. theta energy: -95.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1281.486363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.486363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.486363 (E_RNA) where: Base-Base interactions energy: -894.416 where: short stacking energy: -366.788 Base-Backbone interact. energy: -0.508 local terms energy: -386.562303 where: bonds (distance) C4'-P energy: -77.178 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -53.601 tors. eta vs tors. theta energy: -85.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -917.750792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.750792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.750792 (E_RNA) where: Base-Base interactions energy: -584.909 where: short stacking energy: -288.730 Base-Backbone interact. energy: -0.601 local terms energy: -332.241020 where: bonds (distance) C4'-P energy: -69.064 bonds (distance) P-C4' energy: -80.461 flat angles C4'-P-C4' energy: -87.645 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -50.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -778.227638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.227638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.227638 (E_RNA) where: Base-Base interactions energy: -458.890 where: short stacking energy: -230.115 Base-Backbone interact. energy: 0.852 local terms energy: -320.190022 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -74.892 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -22.341 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: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -655.732859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.732859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.732859 (E_RNA) where: Base-Base interactions energy: -381.465 where: short stacking energy: -198.425 Base-Backbone interact. energy: -2.412 local terms energy: -271.855738 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -76.223 flat angles C4'-P-C4' energy: -77.921 flat angles P-C4'-P energy: -34.773 tors. eta vs tors. theta energy: -11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1763.678287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.678287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.678287 (E_RNA) where: Base-Base interactions energy: -1203.697 where: short stacking energy: -523.474 Base-Backbone interact. energy: -3.659 local terms energy: -556.322332 where: bonds (distance) C4'-P energy: -96.992 bonds (distance) P-C4' energy: -100.346 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -79.842 tors. eta vs tors. theta energy: -169.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1736.520370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.520370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.520370 (E_RNA) where: Base-Base interactions energy: -1211.983 where: short stacking energy: -490.663 Base-Backbone interact. energy: -1.427 local terms energy: -523.110900 where: bonds (distance) C4'-P energy: -107.328 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -119.122 flat angles P-C4'-P energy: -69.057 tors. eta vs tors. theta energy: -138.046 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: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1658.816271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.816271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.816271 (E_RNA) where: Base-Base interactions energy: -1142.145 where: short stacking energy: -514.153 Base-Backbone interact. energy: 0.337 local terms energy: -517.007829 where: bonds (distance) C4'-P energy: -87.730 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -113.281 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -153.800 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: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1595.551376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.551376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.551376 (E_RNA) where: Base-Base interactions energy: -1095.314 where: short stacking energy: -459.225 Base-Backbone interact. energy: -2.240 local terms energy: -497.997715 where: bonds (distance) C4'-P energy: -91.639 bonds (distance) P-C4' energy: -104.658 flat angles C4'-P-C4' energy: -100.164 flat angles P-C4'-P energy: -72.546 tors. eta vs tors. theta energy: -128.991 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: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1528.933801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.933801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.933801 (E_RNA) where: Base-Base interactions energy: -1050.443 where: short stacking energy: -445.282 Base-Backbone interact. energy: -1.240 local terms energy: -477.251041 where: bonds (distance) C4'-P energy: -92.296 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -98.576 flat angles P-C4'-P energy: -74.337 tors. eta vs tors. theta energy: -122.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1345.993253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.993253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.993253 (E_RNA) where: Base-Base interactions energy: -910.335 where: short stacking energy: -399.392 Base-Backbone interact. energy: -1.985 local terms energy: -433.672798 where: bonds (distance) C4'-P energy: -88.537 bonds (distance) P-C4' energy: -76.097 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -112.172 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: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1253.470334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.470334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.470334 (E_RNA) where: Base-Base interactions energy: -863.040 where: short stacking energy: -381.921 Base-Backbone interact. energy: 8.178 local terms energy: -398.608300 where: bonds (distance) C4'-P energy: -76.630 bonds (distance) P-C4' energy: -80.409 flat angles C4'-P-C4' energy: -86.864 flat angles P-C4'-P energy: -59.446 tors. eta vs tors. theta energy: -95.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -949.390597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.390597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.390597 (E_RNA) where: Base-Base interactions energy: -600.474 where: short stacking energy: -280.165 Base-Backbone interact. energy: -2.042 local terms energy: -346.874652 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -84.392 flat angles C4'-P-C4' energy: -80.953 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -53.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -804.373337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.373337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.373337 (E_RNA) where: Base-Base interactions energy: -498.132 where: short stacking energy: -227.842 Base-Backbone interact. energy: 2.388 local terms energy: -308.629240 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -78.505 flat angles C4'-P-C4' energy: -77.443 flat angles P-C4'-P energy: -49.913 tors. eta vs tors. theta energy: -31.248 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -620.337800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.337800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.337800 (E_RNA) where: Base-Base interactions energy: -332.536 where: short stacking energy: -198.229 Base-Backbone interact. energy: 1.567 local terms energy: -289.367902 where: bonds (distance) C4'-P energy: -79.180 bonds (distance) P-C4' energy: -76.816 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1771.218300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.218300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.218300 (E_RNA) where: Base-Base interactions energy: -1215.874 where: short stacking energy: -533.884 Base-Backbone interact. energy: -0.933 local terms energy: -554.411552 where: bonds (distance) C4'-P energy: -104.927 bonds (distance) P-C4' energy: -104.729 flat angles C4'-P-C4' energy: -112.721 flat angles P-C4'-P energy: -65.571 tors. eta vs tors. theta energy: -166.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1774.444818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.444818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.444818 (E_RNA) where: Base-Base interactions energy: -1229.865 where: short stacking energy: -496.730 Base-Backbone interact. energy: -2.218 local terms energy: -542.361622 where: bonds (distance) C4'-P energy: -98.635 bonds (distance) P-C4' energy: -100.893 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -79.060 tors. eta vs tors. theta energy: -147.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1659.465620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.465620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.465620 (E_RNA) where: Base-Base interactions energy: -1164.954 where: short stacking energy: -506.887 Base-Backbone interact. energy: -2.459 local terms energy: -492.053174 where: bonds (distance) C4'-P energy: -95.977 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -97.972 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -147.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1566.463295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.463295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.463295 (E_RNA) where: Base-Base interactions energy: -1111.991 where: short stacking energy: -443.632 Base-Backbone interact. energy: 4.239 local terms energy: -458.710801 where: bonds (distance) C4'-P energy: -93.838 bonds (distance) P-C4' energy: -90.403 flat angles C4'-P-C4' energy: -100.536 flat angles P-C4'-P energy: -55.691 tors. eta vs tors. theta energy: -118.243 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: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1519.226950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.226950 (E_RNA) where: Base-Base interactions energy: -1071.628 where: short stacking energy: -444.002 Base-Backbone interact. energy: -1.636 local terms energy: -445.962581 where: bonds (distance) C4'-P energy: -87.720 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -62.616 tors. eta vs tors. theta energy: -126.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1293.640353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.640353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.640353 (E_RNA) where: Base-Base interactions energy: -855.922 where: short stacking energy: -396.823 Base-Backbone interact. energy: 3.981 local terms energy: -441.699071 where: bonds (distance) C4'-P energy: -81.906 bonds (distance) P-C4' energy: -94.415 flat angles C4'-P-C4' energy: -92.740 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -104.944 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: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1227.558607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.558607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.558607 (E_RNA) where: Base-Base interactions energy: -841.528 where: short stacking energy: -350.583 Base-Backbone interact. energy: 0.211 local terms energy: -386.241943 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -88.226 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -85.383 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: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -963.517607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.517607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.517607 (E_RNA) where: Base-Base interactions energy: -602.263 where: short stacking energy: -267.272 Base-Backbone interact. energy: -1.119 local terms energy: -360.136329 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -79.417 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -42.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -788.575745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.575745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.575745 (E_RNA) where: Base-Base interactions energy: -475.535 where: short stacking energy: -244.137 Base-Backbone interact. energy: -1.385 local terms energy: -311.655744 where: bonds (distance) C4'-P energy: -77.820 bonds (distance) P-C4' energy: -71.794 flat angles C4'-P-C4' energy: -83.315 flat angles P-C4'-P energy: -44.254 tors. eta vs tors. theta energy: -34.472 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: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -587.896922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.896922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.896922 (E_RNA) where: Base-Base interactions energy: -331.722 where: short stacking energy: -161.711 Base-Backbone interact. energy: 9.450 local terms energy: -265.625083 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -71.302 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: 2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1759.015676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.015676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.015676 (E_RNA) where: Base-Base interactions energy: -1245.454 where: short stacking energy: -539.389 Base-Backbone interact. energy: 0.735 local terms energy: -514.296501 where: bonds (distance) C4'-P energy: -96.079 bonds (distance) P-C4' energy: -94.747 flat angles C4'-P-C4' energy: -107.891 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -149.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1773.905502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.905502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.905502 (E_RNA) where: Base-Base interactions energy: -1247.920 where: short stacking energy: -501.178 Base-Backbone interact. energy: -3.393 local terms energy: -522.592987 where: bonds (distance) C4'-P energy: -97.014 bonds (distance) P-C4' energy: -102.489 flat angles C4'-P-C4' energy: -110.558 flat angles P-C4'-P energy: -67.381 tors. eta vs tors. theta energy: -145.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1635.793437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.793437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.793437 (E_RNA) where: Base-Base interactions energy: -1143.209 where: short stacking energy: -500.559 Base-Backbone interact. energy: -0.470 local terms energy: -492.114293 where: bonds (distance) C4'-P energy: -83.273 bonds (distance) P-C4' energy: -79.730 flat angles C4'-P-C4' energy: -113.593 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -147.823 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: 305 Temperature: 1.050000 Total energy: -1561.741293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.741293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.741293 (E_RNA) where: Base-Base interactions energy: -1098.972 where: short stacking energy: -443.185 Base-Backbone interact. energy: -4.917 local terms energy: -457.852606 where: bonds (distance) C4'-P energy: -83.839 bonds (distance) P-C4' energy: -89.653 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -63.376 tors. eta vs tors. theta energy: -125.171 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: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1520.160212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.160212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.160212 (E_RNA) where: Base-Base interactions energy: -1056.202 where: short stacking energy: -424.261 Base-Backbone interact. energy: -3.827 local terms energy: -460.131425 where: bonds (distance) C4'-P energy: -87.712 bonds (distance) P-C4' energy: -99.711 flat angles C4'-P-C4' energy: -101.228 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -108.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1273.943498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.943498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.943498 (E_RNA) where: Base-Base interactions energy: -889.917 where: short stacking energy: -357.886 Base-Backbone interact. energy: -2.560 local terms energy: -381.466642 where: bonds (distance) C4'-P energy: -85.589 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -88.962 flat angles P-C4'-P energy: -63.755 tors. eta vs tors. theta energy: -69.837 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: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1284.521216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.521216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.521216 (E_RNA) where: Base-Base interactions energy: -878.095 where: short stacking energy: -388.706 Base-Backbone interact. energy: -1.485 local terms energy: -404.940417 where: bonds (distance) C4'-P energy: -78.247 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -84.055 flat angles P-C4'-P energy: -61.659 tors. eta vs tors. theta energy: -104.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -967.737946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.737946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.737946 (E_RNA) where: Base-Base interactions energy: -654.203 where: short stacking energy: -251.289 Base-Backbone interact. energy: -3.353 local terms energy: -310.181700 where: bonds (distance) C4'-P energy: -73.776 bonds (distance) P-C4' energy: -74.687 flat angles C4'-P-C4' energy: -82.861 flat angles P-C4'-P energy: -47.650 tors. eta vs tors. theta energy: -31.208 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: 305 Temperature: 1.300000 Total energy: -813.046807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.046807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.046807 (E_RNA) where: Base-Base interactions energy: -491.778 where: short stacking energy: -237.346 Base-Backbone interact. energy: 0.214 local terms energy: -321.483335 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -89.240 flat angles C4'-P-C4' energy: -82.608 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -37.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -597.242467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.242467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.242467 (E_RNA) where: Base-Base interactions energy: -309.797 where: short stacking energy: -176.253 Base-Backbone interact. energy: 1.066 local terms energy: -288.512269 where: bonds (distance) C4'-P energy: -87.800 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -0.033 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: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1794.141701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.141701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.141701 (E_RNA) where: Base-Base interactions energy: -1295.566 where: short stacking energy: -516.024 Base-Backbone interact. energy: -1.946 local terms energy: -496.628850 where: bonds (distance) C4'-P energy: -103.176 bonds (distance) P-C4' energy: -95.806 flat angles C4'-P-C4' energy: -106.505 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -130.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1743.436000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.436000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.436000 (E_RNA) where: Base-Base interactions energy: -1197.208 where: short stacking energy: -522.830 Base-Backbone interact. energy: -0.594 local terms energy: -545.634034 where: bonds (distance) C4'-P energy: -100.682 bonds (distance) P-C4' energy: -100.825 flat angles C4'-P-C4' energy: -111.028 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -163.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1652.129931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.129931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.129931 (E_RNA) where: Base-Base interactions energy: -1133.403 where: short stacking energy: -496.257 Base-Backbone interact. energy: -0.643 local terms energy: -518.083368 where: bonds (distance) C4'-P energy: -99.008 bonds (distance) P-C4' energy: -98.190 flat angles C4'-P-C4' energy: -111.770 flat angles P-C4'-P energy: -66.395 tors. eta vs tors. theta energy: -142.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1547.432620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.432620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.432620 (E_RNA) where: Base-Base interactions energy: -1079.153 where: short stacking energy: -435.648 Base-Backbone interact. energy: 1.991 local terms energy: -470.270288 where: bonds (distance) C4'-P energy: -79.628 bonds (distance) P-C4' energy: -95.370 flat angles C4'-P-C4' energy: -106.056 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -113.470 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: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1479.437627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.437627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.437627 (E_RNA) where: Base-Base interactions energy: -1054.409 where: short stacking energy: -420.886 Base-Backbone interact. energy: 0.574 local terms energy: -425.602508 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -97.745 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -113.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1305.714141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.714141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.714141 (E_RNA) where: Base-Base interactions energy: -887.947 where: short stacking energy: -365.386 Base-Backbone interact. energy: -1.515 local terms energy: -416.252336 where: bonds (distance) C4'-P energy: -87.470 bonds (distance) P-C4' energy: -83.220 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -67.144 tors. eta vs tors. theta energy: -84.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1303.360518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.360518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.360518 (E_RNA) where: Base-Base interactions energy: -857.967 where: short stacking energy: -351.207 Base-Backbone interact. energy: 3.548 local terms energy: -448.941203 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -85.471 flat angles C4'-P-C4' energy: -103.242 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -100.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -941.602845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.602845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.602845 (E_RNA) where: Base-Base interactions energy: -608.728 where: short stacking energy: -267.538 Base-Backbone interact. energy: -1.444 local terms energy: -331.430419 where: bonds (distance) C4'-P energy: -70.516 bonds (distance) P-C4' energy: -91.345 flat angles C4'-P-C4' energy: -84.414 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -38.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -796.367527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.367527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.367527 (E_RNA) where: Base-Base interactions energy: -499.895 where: short stacking energy: -227.903 Base-Backbone interact. energy: 2.161 local terms energy: -298.633144 where: bonds (distance) C4'-P energy: -71.011 bonds (distance) P-C4' energy: -72.606 flat angles C4'-P-C4' energy: -73.030 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -39.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -577.738302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.738302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.738302 (E_RNA) where: Base-Base interactions energy: -294.479 where: short stacking energy: -165.093 Base-Backbone interact. energy: 1.229 local terms energy: -284.488070 where: bonds (distance) C4'-P energy: -82.454 bonds (distance) P-C4' energy: -85.912 flat angles C4'-P-C4' energy: -56.320 flat angles P-C4'-P energy: -39.786 tors. eta vs tors. theta energy: -20.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1780.757101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.757101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.757101 (E_RNA) where: Base-Base interactions energy: -1273.815 where: short stacking energy: -500.809 Base-Backbone interact. energy: -1.525 local terms energy: -505.417180 where: bonds (distance) C4'-P energy: -92.779 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -118.830 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -133.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1718.731785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.731785 (E_RNA) where: Base-Base interactions energy: -1197.868 where: short stacking energy: -526.915 Base-Backbone interact. energy: -4.115 local terms energy: -516.748911 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -110.699 flat angles P-C4'-P energy: -76.840 tors. eta vs tors. theta energy: -158.288 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: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1674.177447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.177447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.177447 (E_RNA) where: Base-Base interactions energy: -1164.204 where: short stacking energy: -487.683 Base-Backbone interact. energy: -2.200 local terms energy: -507.773725 where: bonds (distance) C4'-P energy: -90.033 bonds (distance) P-C4' energy: -93.842 flat angles C4'-P-C4' energy: -109.735 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -147.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1552.403204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.403204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.403204 (E_RNA) where: Base-Base interactions energy: -1097.862 where: short stacking energy: -443.716 Base-Backbone interact. energy: -2.511 local terms energy: -452.029990 where: bonds (distance) C4'-P energy: -94.083 bonds (distance) P-C4' energy: -93.269 flat angles C4'-P-C4' energy: -97.445 flat angles P-C4'-P energy: -53.401 tors. eta vs tors. theta energy: -113.831 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: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1472.945874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.945874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.945874 (E_RNA) where: Base-Base interactions energy: -1057.194 where: short stacking energy: -418.171 Base-Backbone interact. energy: -3.127 local terms energy: -412.625400 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -87.421 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -96.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1294.365044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.365044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.365044 (E_RNA) where: Base-Base interactions energy: -882.012 where: short stacking energy: -373.716 Base-Backbone interact. energy: -3.974 local terms energy: -408.379531 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -89.865 flat angles P-C4'-P energy: -50.478 tors. eta vs tors. theta energy: -93.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1312.890567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.890567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.890567 (E_RNA) where: Base-Base interactions energy: -898.420 where: short stacking energy: -388.698 Base-Backbone interact. energy: 2.482 local terms energy: -416.952637 where: bonds (distance) C4'-P energy: -86.322 bonds (distance) P-C4' energy: -85.996 flat angles C4'-P-C4' energy: -89.402 flat angles P-C4'-P energy: -55.348 tors. eta vs tors. theta energy: -99.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -974.329134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.329134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.329134 (E_RNA) where: Base-Base interactions energy: -647.988 where: short stacking energy: -313.517 Base-Backbone interact. energy: -1.295 local terms energy: -325.046482 where: bonds (distance) C4'-P energy: -65.317 bonds (distance) P-C4' energy: -51.551 flat angles C4'-P-C4' energy: -82.236 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -70.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -743.010820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.010820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.010820 (E_RNA) where: Base-Base interactions energy: -435.208 where: short stacking energy: -212.246 Base-Backbone interact. energy: -1.416 local terms energy: -306.386584 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -93.081 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -25.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -619.465317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.465317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.465317 (E_RNA) where: Base-Base interactions energy: -325.799 where: short stacking energy: -185.692 Base-Backbone interact. energy: -0.071 local terms energy: -293.595551 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -86.202 flat angles C4'-P-C4' energy: -71.394 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1793.031484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.031484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.031484 (E_RNA) where: Base-Base interactions energy: -1283.701 where: short stacking energy: -509.232 Base-Backbone interact. energy: -1.865 local terms energy: -507.465649 where: bonds (distance) C4'-P energy: -85.842 bonds (distance) P-C4' energy: -97.742 flat angles C4'-P-C4' energy: -109.634 flat angles P-C4'-P energy: -72.757 tors. eta vs tors. theta energy: -141.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1762.484780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.484780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.484780 (E_RNA) where: Base-Base interactions energy: -1223.106 where: short stacking energy: -538.720 Base-Backbone interact. energy: -3.496 local terms energy: -535.883374 where: bonds (distance) C4'-P energy: -85.591 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -117.512 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -169.688 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: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1685.885217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.885217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.885217 (E_RNA) where: Base-Base interactions energy: -1164.810 where: short stacking energy: -493.228 Base-Backbone interact. energy: -1.989 local terms energy: -519.086739 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: -152.242 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: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1537.440856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.440856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.440856 (E_RNA) where: Base-Base interactions energy: -1080.631 where: short stacking energy: -449.090 Base-Backbone interact. energy: -1.647 local terms energy: -455.163026 where: bonds (distance) C4'-P energy: -85.557 bonds (distance) P-C4' energy: -94.230 flat angles C4'-P-C4' energy: -98.244 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -106.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1482.493159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.493159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.493159 (E_RNA) where: Base-Base interactions energy: -1026.922 where: short stacking energy: -433.960 Base-Backbone interact. energy: -2.040 local terms energy: -453.530942 where: bonds (distance) C4'-P energy: -85.994 bonds (distance) P-C4' energy: -91.071 flat angles C4'-P-C4' energy: -101.512 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -109.337 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: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1341.099394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.099394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.099394 (E_RNA) where: Base-Base interactions energy: -914.549 where: short stacking energy: -393.304 Base-Backbone interact. energy: -0.542 local terms energy: -426.008838 where: bonds (distance) C4'-P energy: -82.217 bonds (distance) P-C4' energy: -89.086 flat angles C4'-P-C4' energy: -94.627 flat angles P-C4'-P energy: -56.416 tors. eta vs tors. theta energy: -103.663 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: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1251.984995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.984995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.984995 (E_RNA) where: Base-Base interactions energy: -845.459 where: short stacking energy: -387.089 Base-Backbone interact. energy: 1.644 local terms energy: -408.170041 where: bonds (distance) C4'-P energy: -83.209 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -92.324 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -94.919 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: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -969.774654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.774654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.774654 (E_RNA) where: Base-Base interactions energy: -609.396 where: short stacking energy: -281.026 Base-Backbone interact. energy: 0.164 local terms energy: -360.542722 where: bonds (distance) C4'-P energy: -78.267 bonds (distance) P-C4' energy: -88.585 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -64.677 tors. eta vs tors. theta energy: -49.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -762.027360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.027360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.027360 (E_RNA) where: Base-Base interactions energy: -469.460 where: short stacking energy: -220.886 Base-Backbone interact. energy: 1.818 local terms energy: -294.384945 where: bonds (distance) C4'-P energy: -89.205 bonds (distance) P-C4' energy: -81.304 flat angles C4'-P-C4' energy: -57.904 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -18.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -598.432666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.432666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.432666 (E_RNA) where: Base-Base interactions energy: -321.154 where: short stacking energy: -178.942 Base-Backbone interact. energy: -0.769 local terms energy: -276.510078 where: bonds (distance) C4'-P energy: -81.710 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -56.348 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -7.567 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1843.019777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.019777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.019777 (E_RNA) where: Base-Base interactions energy: -1319.285 where: short stacking energy: -523.871 Base-Backbone interact. energy: 0.714 local terms energy: -524.449031 where: bonds (distance) C4'-P energy: -94.526 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -114.455 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -146.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1753.876345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.876345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.876345 (E_RNA) where: Base-Base interactions energy: -1206.064 where: short stacking energy: -542.747 Base-Backbone interact. energy: -3.834 local terms energy: -543.978216 where: bonds (distance) C4'-P energy: -100.159 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -111.101 flat angles P-C4'-P energy: -76.339 tors. eta vs tors. theta energy: -162.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1687.151983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.151983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.151983 (E_RNA) where: Base-Base interactions energy: -1182.230 where: short stacking energy: -525.562 Base-Backbone interact. energy: -0.936 local terms energy: -503.985750 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -90.540 flat angles C4'-P-C4' energy: -114.406 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -150.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1528.924792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.924792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.924792 (E_RNA) where: Base-Base interactions energy: -1058.118 where: short stacking energy: -441.050 Base-Backbone interact. energy: -0.487 local terms energy: -470.319840 where: bonds (distance) C4'-P energy: -99.953 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -89.155 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -112.119 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: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1535.425630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.425630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.425630 (E_RNA) where: Base-Base interactions energy: -1088.818 where: short stacking energy: -446.671 Base-Backbone interact. energy: -5.573 local terms energy: -441.034387 where: bonds (distance) C4'-P energy: -82.778 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -85.022 flat angles P-C4'-P energy: -60.165 tors. eta vs tors. theta energy: -128.256 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: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1261.926588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.926588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.926588 (E_RNA) where: Base-Base interactions energy: -866.469 where: short stacking energy: -356.096 Base-Backbone interact. energy: -2.876 local terms energy: -392.582215 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -88.253 flat angles C4'-P-C4' energy: -95.720 flat angles P-C4'-P energy: -58.459 tors. eta vs tors. theta energy: -78.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1284.183686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.183686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.183686 (E_RNA) where: Base-Base interactions energy: -880.384 where: short stacking energy: -399.819 Base-Backbone interact. energy: -1.479 local terms energy: -402.320107 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -82.506 flat angles C4'-P-C4' energy: -90.211 flat angles P-C4'-P energy: -45.560 tors. eta vs tors. theta energy: -104.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1009.042213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.042213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.042213 (E_RNA) where: Base-Base interactions energy: -649.195 where: short stacking energy: -296.374 Base-Backbone interact. energy: -0.763 local terms energy: -359.083788 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -85.231 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -54.352 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: 309 Temperature: 1.300000 Total energy: -744.058321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.058321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.058321 (E_RNA) where: Base-Base interactions energy: -421.310 where: short stacking energy: -210.136 Base-Backbone interact. energy: -0.626 local terms energy: -322.121690 where: bonds (distance) C4'-P energy: -93.014 bonds (distance) P-C4' energy: -84.801 flat angles C4'-P-C4' energy: -78.737 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -18.405 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: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -576.774588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.774588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.774588 (E_RNA) where: Base-Base interactions energy: -297.317 where: short stacking energy: -157.978 Base-Backbone interact. energy: 0.888 local terms energy: -280.345952 where: bonds (distance) C4'-P energy: -72.847 bonds (distance) P-C4' energy: -86.276 flat angles C4'-P-C4' energy: -69.915 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: 4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1815.252102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.252102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.252102 (E_RNA) where: Base-Base interactions energy: -1295.119 where: short stacking energy: -519.696 Base-Backbone interact. energy: -1.773 local terms energy: -518.360259 where: bonds (distance) C4'-P energy: -105.384 bonds (distance) P-C4' energy: -88.461 flat angles C4'-P-C4' energy: -113.113 flat angles P-C4'-P energy: -68.830 tors. eta vs tors. theta energy: -142.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1767.806674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.806674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.806674 (E_RNA) where: Base-Base interactions energy: -1224.721 where: short stacking energy: -541.404 Base-Backbone interact. energy: -1.638 local terms energy: -541.447620 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -100.347 flat angles C4'-P-C4' energy: -108.274 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: -165.191 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1702.070248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.070248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.070248 (E_RNA) where: Base-Base interactions energy: -1193.252 where: short stacking energy: -520.315 Base-Backbone interact. energy: -2.558 local terms energy: -506.259806 where: bonds (distance) C4'-P energy: -77.478 bonds (distance) P-C4' energy: -88.545 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -78.719 tors. eta vs tors. theta energy: -153.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1572.526908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.526908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.526908 (E_RNA) where: Base-Base interactions energy: -1113.660 where: short stacking energy: -443.604 Base-Backbone interact. energy: -0.521 local terms energy: -458.345572 where: bonds (distance) C4'-P energy: -76.368 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -98.605 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: -114.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1537.037986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.037986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.037986 (E_RNA) where: Base-Base interactions energy: -1074.814 where: short stacking energy: -427.304 Base-Backbone interact. energy: -1.379 local terms energy: -460.844997 where: bonds (distance) C4'-P energy: -89.590 bonds (distance) P-C4' energy: -97.465 flat angles C4'-P-C4' energy: -102.201 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -118.802 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: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1276.680508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.680508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.680508 (E_RNA) where: Base-Base interactions energy: -883.549 where: short stacking energy: -344.146 Base-Backbone interact. energy: 2.966 local terms energy: -396.097584 where: bonds (distance) C4'-P energy: -82.852 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -97.427 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -77.476 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: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1200.023937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.023937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.023937 (E_RNA) where: Base-Base interactions energy: -810.754 where: short stacking energy: -343.014 Base-Backbone interact. energy: 3.922 local terms energy: -393.191901 where: bonds (distance) C4'-P energy: -65.490 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -90.170 flat angles P-C4'-P energy: -70.193 tors. eta vs tors. theta energy: -72.860 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: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1028.580204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.580204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.580204 (E_RNA) where: Base-Base interactions energy: -655.790 where: short stacking energy: -312.052 Base-Backbone interact. energy: -1.052 local terms energy: -371.738188 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -85.432 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -79.303 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: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -755.840874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.840874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.840874 (E_RNA) where: Base-Base interactions energy: -434.831 where: short stacking energy: -216.409 Base-Backbone interact. energy: -1.239 local terms energy: -319.771154 where: bonds (distance) C4'-P energy: -68.832 bonds (distance) P-C4' energy: -93.183 flat angles C4'-P-C4' energy: -87.748 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -19.039 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: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -607.543086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.543086 (E_RNA) where: Base-Base interactions energy: -342.957 where: short stacking energy: -188.616 Base-Backbone interact. energy: 1.321 local terms energy: -265.907698 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -14.508 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: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1808.289949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.289949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.289949 (E_RNA) where: Base-Base interactions energy: -1295.567 where: short stacking energy: -531.440 Base-Backbone interact. energy: -1.947 local terms energy: -510.776002 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -87.110 flat angles C4'-P-C4' energy: -109.079 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: -141.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1736.048134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.048134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.048134 (E_RNA) where: Base-Base interactions energy: -1190.649 where: short stacking energy: -532.842 Base-Backbone interact. energy: -1.717 local terms energy: -543.682088 where: bonds (distance) C4'-P energy: -97.696 bonds (distance) P-C4' energy: -97.054 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -164.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1718.121941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.121941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.121941 (E_RNA) where: Base-Base interactions energy: -1191.356 where: short stacking energy: -498.774 Base-Backbone interact. energy: -2.390 local terms energy: -524.376089 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -93.132 flat angles C4'-P-C4' energy: -114.378 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -150.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1567.252718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.252718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.252718 (E_RNA) where: Base-Base interactions energy: -1086.829 where: short stacking energy: -425.173 Base-Backbone interact. energy: -2.663 local terms energy: -477.760365 where: bonds (distance) C4'-P energy: -88.940 bonds (distance) P-C4' energy: -98.126 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -120.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1525.322098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.322098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.322098 (E_RNA) where: Base-Base interactions energy: -1082.554 where: short stacking energy: -437.215 Base-Backbone interact. energy: -0.646 local terms energy: -442.122602 where: bonds (distance) C4'-P energy: -91.630 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -100.212 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -106.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1339.505704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.505704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.505704 (E_RNA) where: Base-Base interactions energy: -926.220 where: short stacking energy: -376.905 Base-Backbone interact. energy: 1.022 local terms energy: -414.307379 where: bonds (distance) C4'-P energy: -92.784 bonds (distance) P-C4' energy: -91.354 flat angles C4'-P-C4' energy: -80.251 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -81.851 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: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1161.332759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.332759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.332759 (E_RNA) where: Base-Base interactions energy: -782.591 where: short stacking energy: -344.963 Base-Backbone interact. energy: -2.135 local terms energy: -376.607073 where: bonds (distance) C4'-P energy: -72.263 bonds (distance) P-C4' energy: -87.273 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -55.037 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: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -975.900549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.900549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.900549 (E_RNA) where: Base-Base interactions energy: -608.241 where: short stacking energy: -282.283 Base-Backbone interact. energy: -2.327 local terms energy: -365.332389 where: bonds (distance) C4'-P energy: -93.676 bonds (distance) P-C4' energy: -83.820 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -63.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -790.762030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.762030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.762030 (E_RNA) where: Base-Base interactions energy: -496.206 where: short stacking energy: -251.680 Base-Backbone interact. energy: -3.074 local terms energy: -291.482513 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -80.507 flat angles P-C4'-P energy: -53.668 tors. eta vs tors. theta energy: -19.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -553.071307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.071307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.071307 (E_RNA) where: Base-Base interactions energy: -279.103 where: short stacking energy: -157.344 Base-Backbone interact. energy: 0.580 local terms energy: -274.548400 where: bonds (distance) C4'-P energy: -94.708 bonds (distance) P-C4' energy: -75.310 flat angles C4'-P-C4' energy: -78.573 flat angles P-C4'-P energy: -36.963 tors. eta vs tors. theta energy: 11.004 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: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1803.835512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.835512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.835512 (E_RNA) where: Base-Base interactions energy: -1287.158 where: short stacking energy: -535.435 Base-Backbone interact. energy: 1.463 local terms energy: -518.140256 where: bonds (distance) C4'-P energy: -91.346 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -112.240 flat angles P-C4'-P energy: -71.146 tors. eta vs tors. theta energy: -142.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1729.308462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.308462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.308462 (E_RNA) where: Base-Base interactions energy: -1184.843 where: short stacking energy: -534.825 Base-Backbone interact. energy: -1.877 local terms energy: -542.588565 where: bonds (distance) C4'-P energy: -90.959 bonds (distance) P-C4' energy: -100.050 flat angles C4'-P-C4' energy: -114.470 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -164.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1685.640222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.640222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.640222 (E_RNA) where: Base-Base interactions energy: -1172.691 where: short stacking energy: -491.283 Base-Backbone interact. energy: -1.076 local terms energy: -511.873278 where: bonds (distance) C4'-P energy: -89.543 bonds (distance) P-C4' energy: -98.289 flat angles C4'-P-C4' energy: -106.605 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -140.696 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: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1591.714161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.714161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.714161 (E_RNA) where: Base-Base interactions energy: -1129.434 where: short stacking energy: -454.084 Base-Backbone interact. energy: -2.032 local terms energy: -460.247863 where: bonds (distance) C4'-P energy: -81.367 bonds (distance) P-C4' energy: -95.641 flat angles C4'-P-C4' energy: -102.639 flat angles P-C4'-P energy: -64.916 tors. eta vs tors. theta energy: -115.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1558.500867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.500867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.500867 (E_RNA) where: Base-Base interactions energy: -1117.575 where: short stacking energy: -431.842 Base-Backbone interact. energy: 0.349 local terms energy: -441.274864 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -92.309 flat angles C4'-P-C4' energy: -98.658 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -104.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1319.246935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.246935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.246935 (E_RNA) where: Base-Base interactions energy: -912.207 where: short stacking energy: -369.142 Base-Backbone interact. energy: -1.650 local terms energy: -405.390391 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -80.118 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: -89.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1141.264963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.264963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.264963 (E_RNA) where: Base-Base interactions energy: -762.789 where: short stacking energy: -332.759 Base-Backbone interact. energy: 10.760 local terms energy: -389.236794 where: bonds (distance) C4'-P energy: -88.068 bonds (distance) P-C4' energy: -88.263 flat angles C4'-P-C4' energy: -85.456 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -72.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -931.106306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.106306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.106306 (E_RNA) where: Base-Base interactions energy: -586.635 where: short stacking energy: -284.402 Base-Backbone interact. energy: 1.392 local terms energy: -345.862588 where: bonds (distance) C4'-P energy: -81.087 bonds (distance) P-C4' energy: -81.269 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -53.837 tors. eta vs tors. theta energy: -69.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -793.128753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.128753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.128753 (E_RNA) where: Base-Base interactions energy: -470.089 where: short stacking energy: -230.253 Base-Backbone interact. energy: 1.496 local terms energy: -324.535579 where: bonds (distance) C4'-P energy: -79.940 bonds (distance) P-C4' energy: -87.555 flat angles C4'-P-C4' energy: -81.470 flat angles P-C4'-P energy: -41.383 tors. eta vs tors. theta energy: -34.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -608.179926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.179926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.179926 (E_RNA) where: Base-Base interactions energy: -332.403 where: short stacking energy: -174.808 Base-Backbone interact. energy: 0.818 local terms energy: -276.594776 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -88.294 flat angles P-C4'-P energy: -14.923 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: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1807.208617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.208617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.208617 (E_RNA) where: Base-Base interactions energy: -1297.464 where: short stacking energy: -522.308 Base-Backbone interact. energy: -4.743 local terms energy: -505.001638 where: bonds (distance) C4'-P energy: -90.273 bonds (distance) P-C4' energy: -101.235 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -142.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1711.321254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.321254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.321254 (E_RNA) where: Base-Base interactions energy: -1197.840 where: short stacking energy: -511.528 Base-Backbone interact. energy: 2.057 local terms energy: -515.538261 where: bonds (distance) C4'-P energy: -87.055 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -114.982 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -151.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1697.664364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.664364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.664364 (E_RNA) where: Base-Base interactions energy: -1174.124 where: short stacking energy: -517.390 Base-Backbone interact. energy: -4.091 local terms energy: -519.449079 where: bonds (distance) C4'-P energy: -82.694 bonds (distance) P-C4' energy: -94.899 flat angles C4'-P-C4' energy: -117.323 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -154.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1590.261429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.261429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.261429 (E_RNA) where: Base-Base interactions energy: -1122.986 where: short stacking energy: -451.500 Base-Backbone interact. energy: -1.559 local terms energy: -465.716911 where: bonds (distance) C4'-P energy: -83.251 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -125.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1590.503386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.503386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.503386 (E_RNA) where: Base-Base interactions energy: -1125.175 where: short stacking energy: -449.217 Base-Backbone interact. energy: 1.038 local terms energy: -466.366268 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -86.853 flat angles C4'-P-C4' energy: -108.601 flat angles P-C4'-P energy: -65.657 tors. eta vs tors. theta energy: -118.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1316.198210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.198210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.198210 (E_RNA) where: Base-Base interactions energy: -901.244 where: short stacking energy: -403.315 Base-Backbone interact. energy: -0.659 local terms energy: -414.295492 where: bonds (distance) C4'-P energy: -69.478 bonds (distance) P-C4' energy: -87.325 flat angles C4'-P-C4' energy: -95.439 flat angles P-C4'-P energy: -62.968 tors. eta vs tors. theta energy: -99.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1113.647378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.647378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.647378 (E_RNA) where: Base-Base interactions energy: -708.352 where: short stacking energy: -328.548 Base-Backbone interact. energy: -2.185 local terms energy: -403.110355 where: bonds (distance) C4'-P energy: -82.260 bonds (distance) P-C4' energy: -88.571 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: -74.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -938.204081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.204081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.204081 (E_RNA) where: Base-Base interactions energy: -603.409 where: short stacking energy: -291.715 Base-Backbone interact. energy: 1.676 local terms energy: -336.471636 where: bonds (distance) C4'-P energy: -80.696 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -84.268 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -56.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -756.902360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.902360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.902360 (E_RNA) where: Base-Base interactions energy: -431.476 where: short stacking energy: -234.297 Base-Backbone interact. energy: 1.443 local terms energy: -326.869614 where: bonds (distance) C4'-P energy: -75.524 bonds (distance) P-C4' energy: -92.361 flat angles C4'-P-C4' energy: -84.089 flat angles P-C4'-P energy: -47.865 tors. eta vs tors. theta energy: -27.031 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: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -566.141454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.141454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.141454 (E_RNA) where: Base-Base interactions energy: -311.655 where: short stacking energy: -178.460 Base-Backbone interact. energy: -1.735 local terms energy: -252.751271 where: bonds (distance) C4'-P energy: -75.408 bonds (distance) P-C4' energy: -78.271 flat angles C4'-P-C4' energy: -61.304 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1831.168961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.168961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.168961 (E_RNA) where: Base-Base interactions energy: -1308.158 where: short stacking energy: -531.473 Base-Backbone interact. energy: -5.045 local terms energy: -517.965810 where: bonds (distance) C4'-P energy: -82.218 bonds (distance) P-C4' energy: -99.808 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -144.080 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: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1727.043694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.043694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.043694 (E_RNA) where: Base-Base interactions energy: -1197.098 where: short stacking energy: -530.064 Base-Backbone interact. energy: -1.126 local terms energy: -528.819237 where: bonds (distance) C4'-P energy: -97.273 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -112.207 flat angles P-C4'-P energy: -63.820 tors. eta vs tors. theta energy: -157.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1694.695223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.695223 (E_RNA) where: Base-Base interactions energy: -1171.793 where: short stacking energy: -511.230 Base-Backbone interact. energy: -2.952 local terms energy: -519.950975 where: bonds (distance) C4'-P energy: -93.151 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -103.534 flat angles P-C4'-P energy: -83.089 tors. eta vs tors. theta energy: -149.242 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: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1616.691704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.691704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.691704 (E_RNA) where: Base-Base interactions energy: -1144.451 where: short stacking energy: -454.590 Base-Backbone interact. energy: -4.116 local terms energy: -468.125063 where: bonds (distance) C4'-P energy: -87.329 bonds (distance) P-C4' energy: -88.696 flat angles C4'-P-C4' energy: -93.835 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -124.037 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: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1547.121293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.121293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.121293 (E_RNA) where: Base-Base interactions energy: -1080.150 where: short stacking energy: -432.033 Base-Backbone interact. energy: -1.547 local terms energy: -465.423955 where: bonds (distance) C4'-P energy: -80.371 bonds (distance) P-C4' energy: -96.285 flat angles C4'-P-C4' energy: -99.038 flat angles P-C4'-P energy: -72.761 tors. eta vs tors. theta energy: -116.968 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: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1336.471540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.471540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.471540 (E_RNA) where: Base-Base interactions energy: -919.148 where: short stacking energy: -393.919 Base-Backbone interact. energy: -2.192 local terms energy: -415.131921 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -76.896 flat angles C4'-P-C4' energy: -95.295 flat angles P-C4'-P energy: -65.881 tors. eta vs tors. theta energy: -97.839 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1159.360070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.360070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.360070 (E_RNA) where: Base-Base interactions energy: -759.867 where: short stacking energy: -345.391 Base-Backbone interact. energy: -1.657 local terms energy: -397.835715 where: bonds (distance) C4'-P energy: -75.945 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -58.687 tors. eta vs tors. theta energy: -85.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -916.551706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.551706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.551706 (E_RNA) where: Base-Base interactions energy: -565.426 where: short stacking energy: -269.225 Base-Backbone interact. energy: -1.047 local terms energy: -350.078455 where: bonds (distance) C4'-P energy: -81.886 bonds (distance) P-C4' energy: -90.212 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -48.890 tors. eta vs tors. theta energy: -46.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -750.827670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.827670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.827670 (E_RNA) where: Base-Base interactions energy: -439.761 where: short stacking energy: -230.836 Base-Backbone interact. energy: 2.875 local terms energy: -313.941558 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -90.916 flat angles C4'-P-C4' energy: -79.532 flat angles P-C4'-P energy: -43.974 tors. eta vs tors. theta energy: -26.109 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: 10, replica: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -565.468604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.468604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.468604 (E_RNA) where: Base-Base interactions energy: -288.730 where: short stacking energy: -175.644 Base-Backbone interact. energy: -1.017 local terms energy: -275.721803 where: bonds (distance) C4'-P energy: -69.448 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -59.506 tors. eta vs tors. theta energy: 3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1824.124146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.124146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.124146 (E_RNA) where: Base-Base interactions energy: -1306.170 where: short stacking energy: -537.508 Base-Backbone interact. energy: -3.487 local terms energy: -514.467408 where: bonds (distance) C4'-P energy: -92.713 bonds (distance) P-C4' energy: -85.794 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -147.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1720.981229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.981229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.981229 (E_RNA) where: Base-Base interactions energy: -1191.634 where: short stacking energy: -518.211 Base-Backbone interact. energy: 0.690 local terms energy: -530.037125 where: bonds (distance) C4'-P energy: -90.391 bonds (distance) P-C4' energy: -87.237 flat angles C4'-P-C4' energy: -113.974 flat angles P-C4'-P energy: -74.561 tors. eta vs tors. theta energy: -163.875 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: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1691.678310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.678310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.678310 (E_RNA) where: Base-Base interactions energy: -1166.091 where: short stacking energy: -518.498 Base-Backbone interact. energy: -2.465 local terms energy: -523.121548 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -92.169 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -69.218 tors. eta vs tors. theta energy: -153.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1604.011798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.011798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.011798 (E_RNA) where: Base-Base interactions energy: -1125.145 where: short stacking energy: -465.361 Base-Backbone interact. energy: -1.538 local terms energy: -477.328730 where: bonds (distance) C4'-P energy: -89.986 bonds (distance) P-C4' energy: -91.880 flat angles C4'-P-C4' energy: -107.970 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -120.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1546.222810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.222810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.222810 (E_RNA) where: Base-Base interactions energy: -1080.892 where: short stacking energy: -432.238 Base-Backbone interact. energy: -2.365 local terms energy: -462.965516 where: bonds (distance) C4'-P energy: -83.341 bonds (distance) P-C4' energy: -94.047 flat angles C4'-P-C4' energy: -106.517 flat angles P-C4'-P energy: -65.680 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: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1310.463002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.463002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.463002 (E_RNA) where: Base-Base interactions energy: -924.767 where: short stacking energy: -371.081 Base-Backbone interact. energy: 3.421 local terms energy: -389.117115 where: bonds (distance) C4'-P energy: -84.453 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -87.125 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -95.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1171.878403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.878403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.878403 (E_RNA) where: Base-Base interactions energy: -752.110 where: short stacking energy: -362.479 Base-Backbone interact. energy: -0.365 local terms energy: -419.403089 where: bonds (distance) C4'-P energy: -86.795 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -93.631 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -87.028 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: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -920.510161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.510161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.510161 (E_RNA) where: Base-Base interactions energy: -581.290 where: short stacking energy: -289.547 Base-Backbone interact. energy: -0.277 local terms energy: -338.942988 where: bonds (distance) C4'-P energy: -76.456 bonds (distance) P-C4' energy: -91.804 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -45.362 tors. eta vs tors. theta energy: -51.287 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: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -739.010850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.010850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.010850 (E_RNA) where: Base-Base interactions energy: -438.394 where: short stacking energy: -235.675 Base-Backbone interact. energy: -1.696 local terms energy: -298.921099 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -81.805 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -38.529 tors. eta vs tors. theta energy: -28.866 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: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -577.243649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.243649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.243649 (E_RNA) where: Base-Base interactions energy: -301.072 where: short stacking energy: -160.196 Base-Backbone interact. energy: 0.260 local terms energy: -276.432037 where: bonds (distance) C4'-P energy: -77.862 bonds (distance) P-C4' energy: -75.036 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -13.596 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: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1796.260497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.260497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.260497 (E_RNA) where: Base-Base interactions energy: -1256.130 where: short stacking energy: -519.087 Base-Backbone interact. energy: -2.685 local terms energy: -537.445873 where: bonds (distance) C4'-P energy: -105.390 bonds (distance) P-C4' energy: -95.168 flat angles C4'-P-C4' energy: -112.474 flat angles P-C4'-P energy: -79.075 tors. eta vs tors. theta energy: -145.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1721.223674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.223674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.223674 (E_RNA) where: Base-Base interactions energy: -1187.790 where: short stacking energy: -499.394 Base-Backbone interact. energy: -3.744 local terms energy: -529.688977 where: bonds (distance) C4'-P energy: -101.201 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -71.535 tors. eta vs tors. theta energy: -151.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1679.718399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.718399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.718399 (E_RNA) where: Base-Base interactions energy: -1145.773 where: short stacking energy: -480.961 Base-Backbone interact. energy: -3.074 local terms energy: -530.871228 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -107.227 flat angles C4'-P-C4' energy: -114.202 flat angles P-C4'-P energy: -78.504 tors. eta vs tors. theta energy: -147.975 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: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1615.035756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.035756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.035756 (E_RNA) where: Base-Base interactions energy: -1145.219 where: short stacking energy: -450.422 Base-Backbone interact. energy: -4.283 local terms energy: -465.533634 where: bonds (distance) C4'-P energy: -93.009 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -114.776 flat angles P-C4'-P energy: -53.809 tors. eta vs tors. theta energy: -117.619 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: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1490.919082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.919082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.919082 (E_RNA) where: Base-Base interactions energy: -1060.851 where: short stacking energy: -409.503 Base-Backbone interact. energy: -3.306 local terms energy: -426.762053 where: bonds (distance) C4'-P energy: -67.821 bonds (distance) P-C4' energy: -88.880 flat angles C4'-P-C4' energy: -94.296 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -102.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1300.973504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.973504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.973504 (E_RNA) where: Base-Base interactions energy: -880.968 where: short stacking energy: -381.613 Base-Backbone interact. energy: 2.627 local terms energy: -422.632532 where: bonds (distance) C4'-P energy: -80.369 bonds (distance) P-C4' energy: -94.093 flat angles C4'-P-C4' energy: -91.489 flat angles P-C4'-P energy: -65.032 tors. eta vs tors. theta energy: -91.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1152.997764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.997764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.997764 (E_RNA) where: Base-Base interactions energy: -746.476 where: short stacking energy: -337.087 Base-Backbone interact. energy: -1.474 local terms energy: -405.047474 where: bonds (distance) C4'-P energy: -83.848 bonds (distance) P-C4' energy: -97.559 flat angles C4'-P-C4' energy: -83.096 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -74.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -935.789732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.789732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.789732 (E_RNA) where: Base-Base interactions energy: -574.064 where: short stacking energy: -262.923 Base-Backbone interact. energy: -2.484 local terms energy: -359.241746 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -89.229 flat angles C4'-P-C4' energy: -89.129 flat angles P-C4'-P energy: -53.380 tors. eta vs tors. theta energy: -48.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -741.072036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.072036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.072036 (E_RNA) where: Base-Base interactions energy: -437.388 where: short stacking energy: -222.007 Base-Backbone interact. energy: -1.188 local terms energy: -302.496234 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -88.319 flat angles C4'-P-C4' energy: -73.146 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -571.349659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.349659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.349659 (E_RNA) where: Base-Base interactions energy: -307.758 where: short stacking energy: -179.333 Base-Backbone interact. energy: 1.406 local terms energy: -264.998386 where: bonds (distance) C4'-P energy: -67.890 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -81.032 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1801.130325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.130325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.130325 (E_RNA) where: Base-Base interactions energy: -1258.051 where: short stacking energy: -513.083 Base-Backbone interact. energy: -2.629 local terms energy: -540.450415 where: bonds (distance) C4'-P energy: -104.817 bonds (distance) P-C4' energy: -104.412 flat angles C4'-P-C4' energy: -114.563 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -146.950 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: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1756.679778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.679778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.679778 (E_RNA) where: Base-Base interactions energy: -1222.192 where: short stacking energy: -530.744 Base-Backbone interact. energy: -0.386 local terms energy: -534.101112 where: bonds (distance) C4'-P energy: -92.308 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -111.228 flat angles P-C4'-P energy: -76.761 tors. eta vs tors. theta energy: -158.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1711.107274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.107274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.107274 (E_RNA) where: Base-Base interactions energy: -1177.549 where: short stacking energy: -522.432 Base-Backbone interact. energy: -3.068 local terms energy: -530.489908 where: bonds (distance) C4'-P energy: -83.888 bonds (distance) P-C4' energy: -97.276 flat angles C4'-P-C4' energy: -117.454 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -153.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1596.943412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.943412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.943412 (E_RNA) where: Base-Base interactions energy: -1105.873 where: short stacking energy: -447.564 Base-Backbone interact. energy: 0.936 local terms energy: -492.006905 where: bonds (distance) C4'-P energy: -92.361 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -118.701 flat angles P-C4'-P energy: -67.134 tors. eta vs tors. theta energy: -115.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1516.825022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.825022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.825022 (E_RNA) where: Base-Base interactions energy: -1073.151 where: short stacking energy: -438.129 Base-Backbone interact. energy: -0.721 local terms energy: -442.952763 where: bonds (distance) C4'-P energy: -83.931 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -112.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1251.673762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.673762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.673762 (E_RNA) where: Base-Base interactions energy: -887.117 where: short stacking energy: -363.255 Base-Backbone interact. energy: -1.902 local terms energy: -362.654860 where: bonds (distance) C4'-P energy: -76.803 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -86.328 flat angles P-C4'-P energy: -47.033 tors. eta vs tors. theta energy: -82.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1121.965549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.965549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.965549 (E_RNA) where: Base-Base interactions energy: -740.717 where: short stacking energy: -339.782 Base-Backbone interact. energy: -0.492 local terms energy: -380.755891 where: bonds (distance) C4'-P energy: -77.092 bonds (distance) P-C4' energy: -84.770 flat angles C4'-P-C4' energy: -84.829 flat angles P-C4'-P energy: -59.408 tors. eta vs tors. theta energy: -74.657 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -919.380876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.380876 (E_RNA) where: Base-Base interactions energy: -581.025 where: short stacking energy: -291.910 Base-Backbone interact. energy: 0.342 local terms energy: -338.698317 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -89.796 flat angles C4'-P-C4' energy: -76.144 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -51.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -774.835631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.835631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.835631 (E_RNA) where: Base-Base interactions energy: -475.776 where: short stacking energy: -242.733 Base-Backbone interact. energy: 2.432 local terms energy: -301.490876 where: bonds (distance) C4'-P energy: -67.589 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -79.294 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -30.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -575.149470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.149470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.149470 (E_RNA) where: Base-Base interactions energy: -319.253 where: short stacking energy: -194.142 Base-Backbone interact. energy: 0.201 local terms energy: -256.097743 where: bonds (distance) C4'-P energy: -66.595 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1789.269359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.269359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.269359 (E_RNA) where: Base-Base interactions energy: -1269.841 where: short stacking energy: -505.179 Base-Backbone interact. energy: -6.412 local terms energy: -513.016076 where: bonds (distance) C4'-P energy: -90.173 bonds (distance) P-C4' energy: -101.015 flat angles C4'-P-C4' energy: -106.212 flat angles P-C4'-P energy: -79.518 tors. eta vs tors. theta energy: -136.097 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: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1750.841386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.841386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.841386 (E_RNA) where: Base-Base interactions energy: -1217.271 where: short stacking energy: -529.362 Base-Backbone interact. energy: -3.501 local terms energy: -530.069703 where: bonds (distance) C4'-P energy: -96.735 bonds (distance) P-C4' energy: -91.100 flat angles C4'-P-C4' energy: -113.458 flat angles P-C4'-P energy: -77.644 tors. eta vs tors. theta energy: -151.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1648.891170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.891170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.891170 (E_RNA) where: Base-Base interactions energy: -1141.285 where: short stacking energy: -481.278 Base-Backbone interact. energy: -0.747 local terms energy: -506.858584 where: bonds (distance) C4'-P energy: -96.479 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -108.599 flat angles P-C4'-P energy: -68.081 tors. eta vs tors. theta energy: -140.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1638.297935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.297935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.297935 (E_RNA) where: Base-Base interactions energy: -1155.348 where: short stacking energy: -460.980 Base-Backbone interact. energy: -3.469 local terms energy: -479.480512 where: bonds (distance) C4'-P energy: -93.491 bonds (distance) P-C4' energy: -98.319 flat angles C4'-P-C4' energy: -103.342 flat angles P-C4'-P energy: -56.987 tors. eta vs tors. theta energy: -127.342 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: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1483.548239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.548239 (E_RNA) where: Base-Base interactions energy: -1035.250 where: short stacking energy: -420.641 Base-Backbone interact. energy: -4.269 local terms energy: -444.029820 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -87.989 flat angles C4'-P-C4' energy: -90.681 flat angles P-C4'-P energy: -67.318 tors. eta vs tors. theta energy: -111.268 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: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1314.735413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.735413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.735413 (E_RNA) where: Base-Base interactions energy: -896.108 where: short stacking energy: -378.568 Base-Backbone interact. energy: 1.906 local terms energy: -420.533551 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -80.605 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -90.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1120.932681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.932681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.932681 (E_RNA) where: Base-Base interactions energy: -762.405 where: short stacking energy: -345.859 Base-Backbone interact. energy: -2.512 local terms energy: -356.014915 where: bonds (distance) C4'-P energy: -69.108 bonds (distance) P-C4' energy: -80.375 flat angles C4'-P-C4' energy: -73.678 flat angles P-C4'-P energy: -51.659 tors. eta vs tors. theta energy: -81.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -985.676390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.676390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.676390 (E_RNA) where: Base-Base interactions energy: -631.510 where: short stacking energy: -291.725 Base-Backbone interact. energy: 0.853 local terms energy: -355.019239 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -89.715 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -54.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -795.083630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.083630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.083630 (E_RNA) where: Base-Base interactions energy: -484.652 where: short stacking energy: -226.505 Base-Backbone interact. energy: 1.471 local terms energy: -311.902687 where: bonds (distance) C4'-P energy: -87.786 bonds (distance) P-C4' energy: -83.310 flat angles C4'-P-C4' energy: -68.687 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: -26.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -565.978698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.978698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.978698 (E_RNA) where: Base-Base interactions energy: -287.151 where: short stacking energy: -149.514 Base-Backbone interact. energy: -1.539 local terms energy: -277.288859 where: bonds (distance) C4'-P energy: -83.968 bonds (distance) P-C4' energy: -80.419 flat angles C4'-P-C4' energy: -60.769 flat angles P-C4'-P energy: -60.449 tors. eta vs tors. theta energy: 8.317 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: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1799.403421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.403421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.403421 (E_RNA) where: Base-Base interactions energy: -1293.474 where: short stacking energy: -518.587 Base-Backbone interact. energy: -1.585 local terms energy: -504.343936 where: bonds (distance) C4'-P energy: -100.619 bonds (distance) P-C4' energy: -87.669 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -137.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1749.136799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.136799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.136799 (E_RNA) where: Base-Base interactions energy: -1219.684 where: short stacking energy: -537.876 Base-Backbone interact. energy: 0.776 local terms energy: -530.228868 where: bonds (distance) C4'-P energy: -87.538 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -115.222 flat angles P-C4'-P energy: -71.744 tors. eta vs tors. theta energy: -157.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1651.847757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.847757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.847757 (E_RNA) where: Base-Base interactions energy: -1162.383 where: short stacking energy: -515.672 Base-Backbone interact. energy: -1.743 local terms energy: -487.720843 where: bonds (distance) C4'-P energy: -74.188 bonds (distance) P-C4' energy: -92.169 flat angles C4'-P-C4' energy: -101.959 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -145.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1613.305116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.305116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.305116 (E_RNA) where: Base-Base interactions energy: -1131.582 where: short stacking energy: -448.055 Base-Backbone interact. energy: -4.303 local terms energy: -477.419874 where: bonds (distance) C4'-P energy: -85.471 bonds (distance) P-C4' energy: -93.780 flat angles C4'-P-C4' energy: -103.569 flat angles P-C4'-P energy: -71.816 tors. eta vs tors. theta energy: -122.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1490.821496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.821496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.821496 (E_RNA) where: Base-Base interactions energy: -1020.724 where: short stacking energy: -441.228 Base-Backbone interact. energy: -1.691 local terms energy: -468.406379 where: bonds (distance) C4'-P energy: -86.864 bonds (distance) P-C4' energy: -102.621 flat angles C4'-P-C4' energy: -101.335 flat angles P-C4'-P energy: -71.601 tors. eta vs tors. theta energy: -105.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1288.355323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.355323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.355323 (E_RNA) where: Base-Base interactions energy: -876.309 where: short stacking energy: -375.177 Base-Backbone interact. energy: -2.880 local terms energy: -409.166423 where: bonds (distance) C4'-P energy: -86.170 bonds (distance) P-C4' energy: -84.598 flat angles C4'-P-C4' energy: -100.470 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -81.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1120.944183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.944183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.944183 (E_RNA) where: Base-Base interactions energy: -754.236 where: short stacking energy: -329.922 Base-Backbone interact. energy: -1.028 local terms energy: -365.680204 where: bonds (distance) C4'-P energy: -81.014 bonds (distance) P-C4' energy: -69.839 flat angles C4'-P-C4' energy: -85.100 flat angles P-C4'-P energy: -61.597 tors. eta vs tors. theta energy: -68.130 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: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -923.942411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.942411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.942411 (E_RNA) where: Base-Base interactions energy: -555.481 where: short stacking energy: -259.332 Base-Backbone interact. energy: -0.939 local terms energy: -367.523103 where: bonds (distance) C4'-P energy: -77.509 bonds (distance) P-C4' energy: -94.659 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -55.710 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: 319 Temperature: 1.300000 Total energy: -740.950761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.950761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.950761 (E_RNA) where: Base-Base interactions energy: -433.921 where: short stacking energy: -190.999 Base-Backbone interact. energy: 1.973 local terms energy: -309.002767 where: bonds (distance) C4'-P energy: -77.866 bonds (distance) P-C4' energy: -74.844 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -27.431 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: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -590.073613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.073613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.073613 (E_RNA) where: Base-Base interactions energy: -304.556 where: short stacking energy: -168.577 Base-Backbone interact. energy: 1.210 local terms energy: -286.727293 where: bonds (distance) C4'-P energy: -73.030 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -0.895 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: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1815.518520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.518520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.518520 (E_RNA) where: Base-Base interactions energy: -1279.187 where: short stacking energy: -523.923 Base-Backbone interact. energy: -2.649 local terms energy: -533.682423 where: bonds (distance) C4'-P energy: -97.317 bonds (distance) P-C4' energy: -101.356 flat angles C4'-P-C4' energy: -110.752 flat angles P-C4'-P energy: -76.175 tors. eta vs tors. theta energy: -148.083 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: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1749.731686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.731686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.731686 (E_RNA) where: Base-Base interactions energy: -1225.638 where: short stacking energy: -532.237 Base-Backbone interact. energy: -2.350 local terms energy: -521.743625 where: bonds (distance) C4'-P energy: -86.350 bonds (distance) P-C4' energy: -93.541 flat angles C4'-P-C4' energy: -115.883 flat angles P-C4'-P energy: -68.420 tors. eta vs tors. theta energy: -157.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1680.430576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.430576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.430576 (E_RNA) where: Base-Base interactions energy: -1179.849 where: short stacking energy: -518.217 Base-Backbone interact. energy: -3.352 local terms energy: -497.229663 where: bonds (distance) C4'-P energy: -80.926 bonds (distance) P-C4' energy: -92.896 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -146.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1634.936212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.936212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.936212 (E_RNA) where: Base-Base interactions energy: -1166.634 where: short stacking energy: -453.752 Base-Backbone interact. energy: -2.320 local terms energy: -465.982774 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -109.123 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -123.708 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: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1451.246849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.246849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.246849 (E_RNA) where: Base-Base interactions energy: -1022.859 where: short stacking energy: -405.536 Base-Backbone interact. energy: 3.328 local terms energy: -431.716384 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -88.541 flat angles C4'-P-C4' energy: -87.328 flat angles P-C4'-P energy: -67.388 tors. eta vs tors. theta energy: -111.004 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: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1323.021246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.021246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.021246 (E_RNA) where: Base-Base interactions energy: -900.160 where: short stacking energy: -386.000 Base-Backbone interact. energy: -1.784 local terms energy: -421.077356 where: bonds (distance) C4'-P energy: -83.201 bonds (distance) P-C4' energy: -83.639 flat angles C4'-P-C4' energy: -99.164 flat angles P-C4'-P energy: -58.756 tors. eta vs tors. theta energy: -96.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1198.149330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.149330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.149330 (E_RNA) where: Base-Base interactions energy: -772.550 where: short stacking energy: -347.891 Base-Backbone interact. energy: 0.448 local terms energy: -426.046958 where: bonds (distance) C4'-P energy: -100.132 bonds (distance) P-C4' energy: -72.729 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -61.374 tors. eta vs tors. theta energy: -105.356 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: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -930.487701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.487701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.487701 (E_RNA) where: Base-Base interactions energy: -579.318 where: short stacking energy: -277.353 Base-Backbone interact. energy: -1.378 local terms energy: -349.792021 where: bonds (distance) C4'-P energy: -92.643 bonds (distance) P-C4' energy: -66.052 flat angles C4'-P-C4' energy: -81.592 flat angles P-C4'-P energy: -50.551 tors. eta vs tors. theta energy: -58.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -800.001545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.001545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.001545 (E_RNA) where: Base-Base interactions energy: -458.361 where: short stacking energy: -224.184 Base-Backbone interact. energy: -2.851 local terms energy: -338.789520 where: bonds (distance) C4'-P energy: -85.416 bonds (distance) P-C4' energy: -93.050 flat angles C4'-P-C4' energy: -83.752 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -32.072 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: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -668.537922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.537922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.537922 (E_RNA) where: Base-Base interactions energy: -395.899 where: short stacking energy: -190.329 Base-Backbone interact. energy: 4.628 local terms energy: -277.267108 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -62.330 flat angles C4'-P-C4' energy: -88.047 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1805.854175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.854175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.854175 (E_RNA) where: Base-Base interactions energy: -1274.823 where: short stacking energy: -525.211 Base-Backbone interact. energy: -3.423 local terms energy: -527.608747 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -115.453 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -149.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1753.833496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.833496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.833496 (E_RNA) where: Base-Base interactions energy: -1214.401 where: short stacking energy: -524.333 Base-Backbone interact. energy: -2.260 local terms energy: -537.172197 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -103.358 flat angles C4'-P-C4' energy: -103.483 flat angles P-C4'-P energy: -84.762 tors. eta vs tors. theta energy: -153.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1710.135587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.135587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.135587 (E_RNA) where: Base-Base interactions energy: -1185.975 where: short stacking energy: -525.415 Base-Backbone interact. energy: -1.977 local terms energy: -522.184069 where: bonds (distance) C4'-P energy: -90.390 bonds (distance) P-C4' energy: -100.196 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -87.216 tors. eta vs tors. theta energy: -137.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1632.560852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.560852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.560852 (E_RNA) where: Base-Base interactions energy: -1157.293 where: short stacking energy: -473.637 Base-Backbone interact. energy: -2.522 local terms energy: -472.746241 where: bonds (distance) C4'-P energy: -86.858 bonds (distance) P-C4' energy: -94.160 flat angles C4'-P-C4' energy: -108.887 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -120.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1478.101170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.101170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.101170 (E_RNA) where: Base-Base interactions energy: -1024.570 where: short stacking energy: -422.070 Base-Backbone interact. energy: -3.090 local terms energy: -450.440471 where: bonds (distance) C4'-P energy: -80.892 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -101.436 flat angles P-C4'-P energy: -77.690 tors. eta vs tors. theta energy: -103.970 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: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1320.607399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.607399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.607399 (E_RNA) where: Base-Base interactions energy: -929.072 where: short stacking energy: -390.728 Base-Backbone interact. energy: 2.194 local terms energy: -393.729400 where: bonds (distance) C4'-P energy: -82.400 bonds (distance) P-C4' energy: -84.534 flat angles C4'-P-C4' energy: -95.605 flat angles P-C4'-P energy: -45.466 tors. eta vs tors. theta energy: -85.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1173.919317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.919317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.919317 (E_RNA) where: Base-Base interactions energy: -783.467 where: short stacking energy: -353.949 Base-Backbone interact. energy: 9.098 local terms energy: -399.549871 where: bonds (distance) C4'-P energy: -91.161 bonds (distance) P-C4' energy: -84.141 flat angles C4'-P-C4' energy: -93.848 flat angles P-C4'-P energy: -43.044 tors. eta vs tors. theta energy: -87.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -948.340485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.340485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.340485 (E_RNA) where: Base-Base interactions energy: -599.458 where: short stacking energy: -272.713 Base-Backbone interact. energy: -0.300 local terms energy: -348.582567 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -73.552 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -64.842 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: 321 Temperature: 1.300000 Total energy: -790.807601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.807601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.807601 (E_RNA) where: Base-Base interactions energy: -477.524 where: short stacking energy: -234.057 Base-Backbone interact. energy: 1.281 local terms energy: -314.564287 where: bonds (distance) C4'-P energy: -94.668 bonds (distance) P-C4' energy: -88.304 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -37.711 tors. eta vs tors. theta energy: -26.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -584.329534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.329534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.329534 (E_RNA) where: Base-Base interactions energy: -291.464 where: short stacking energy: -160.489 Base-Backbone interact. energy: 0.218 local terms energy: -293.083244 where: bonds (distance) C4'-P energy: -73.956 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -88.199 flat angles P-C4'-P energy: -29.615 tors. eta vs tors. theta energy: -9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1820.805602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.805602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.805602 (E_RNA) where: Base-Base interactions energy: -1273.701 where: short stacking energy: -510.897 Base-Backbone interact. energy: -3.000 local terms energy: -544.105482 where: bonds (distance) C4'-P energy: -109.045 bonds (distance) P-C4' energy: -95.176 flat angles C4'-P-C4' energy: -117.946 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -143.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1758.418528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.418528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.418528 (E_RNA) where: Base-Base interactions energy: -1208.425 where: short stacking energy: -500.034 Base-Backbone interact. energy: -0.792 local terms energy: -549.201639 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -106.255 flat angles C4'-P-C4' energy: -110.373 flat angles P-C4'-P energy: -79.297 tors. eta vs tors. theta energy: -152.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1670.303974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.303974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.303974 (E_RNA) where: Base-Base interactions energy: -1169.694 where: short stacking energy: -531.151 Base-Backbone interact. energy: 0.661 local terms energy: -501.270486 where: bonds (distance) C4'-P energy: -92.348 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -76.843 tors. eta vs tors. theta energy: -145.260 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: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1613.890335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.890335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.890335 (E_RNA) where: Base-Base interactions energy: -1148.517 where: short stacking energy: -456.531 Base-Backbone interact. energy: 1.596 local terms energy: -466.969152 where: bonds (distance) C4'-P energy: -96.735 bonds (distance) P-C4' energy: -85.209 flat angles C4'-P-C4' energy: -110.703 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -123.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1446.124335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.124335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.124335 (E_RNA) where: Base-Base interactions energy: -1023.282 where: short stacking energy: -418.028 Base-Backbone interact. energy: 1.769 local terms energy: -424.611994 where: bonds (distance) C4'-P energy: -80.926 bonds (distance) P-C4' energy: -79.836 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -96.341 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: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1263.421155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.421155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.421155 (E_RNA) where: Base-Base interactions energy: -873.314 where: short stacking energy: -357.155 Base-Backbone interact. energy: -2.359 local terms energy: -387.748205 where: bonds (distance) C4'-P energy: -79.765 bonds (distance) P-C4' energy: -89.670 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: -83.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1180.319278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.319278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.319278 (E_RNA) where: Base-Base interactions energy: -795.581 where: short stacking energy: -339.390 Base-Backbone interact. energy: -1.080 local terms energy: -383.658144 where: bonds (distance) C4'-P energy: -79.487 bonds (distance) P-C4' energy: -89.512 flat angles C4'-P-C4' energy: -82.858 flat angles P-C4'-P energy: -63.798 tors. eta vs tors. theta energy: -68.003 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: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -946.479893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.479893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.479893 (E_RNA) where: Base-Base interactions energy: -617.828 where: short stacking energy: -263.831 Base-Backbone interact. energy: -1.895 local terms energy: -326.756876 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -102.005 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: -28.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -805.237787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.237787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.237787 (E_RNA) where: Base-Base interactions energy: -479.475 where: short stacking energy: -230.090 Base-Backbone interact. energy: -0.823 local terms energy: -324.939846 where: bonds (distance) C4'-P energy: -85.629 bonds (distance) P-C4' energy: -83.246 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -33.200 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: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -551.784889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.784889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.784889 (E_RNA) where: Base-Base interactions energy: -323.820 where: short stacking energy: -156.209 Base-Backbone interact. energy: -2.754 local terms energy: -225.210866 where: bonds (distance) C4'-P energy: -73.175 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -58.606 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: 11.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1817.195214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.195214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.195214 (E_RNA) where: Base-Base interactions energy: -1284.291 where: short stacking energy: -505.000 Base-Backbone interact. energy: -3.380 local terms energy: -529.524233 where: bonds (distance) C4'-P energy: -102.561 bonds (distance) P-C4' energy: -96.911 flat angles C4'-P-C4' energy: -109.482 flat angles P-C4'-P energy: -77.202 tors. eta vs tors. theta energy: -143.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1758.801207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.801207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.801207 (E_RNA) where: Base-Base interactions energy: -1227.906 where: short stacking energy: -537.152 Base-Backbone interact. energy: -4.852 local terms energy: -526.042525 where: bonds (distance) C4'-P energy: -85.823 bonds (distance) P-C4' energy: -97.154 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: -154.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1683.802186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.802186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.802186 (E_RNA) where: Base-Base interactions energy: -1155.038 where: short stacking energy: -519.643 Base-Backbone interact. energy: 0.405 local terms energy: -529.169394 where: bonds (distance) C4'-P energy: -89.017 bonds (distance) P-C4' energy: -106.453 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -151.949 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: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1624.193023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.193023 (E_RNA) where: Base-Base interactions energy: -1142.788 where: short stacking energy: -462.985 Base-Backbone interact. energy: 0.544 local terms energy: -481.949484 where: bonds (distance) C4'-P energy: -88.427 bonds (distance) P-C4' energy: -100.184 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -134.880 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: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1504.911887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.911887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.911887 (E_RNA) where: Base-Base interactions energy: -1061.998 where: short stacking energy: -428.084 Base-Backbone interact. energy: -2.614 local terms energy: -440.299928 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -83.980 flat angles C4'-P-C4' energy: -94.456 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -108.088 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: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1297.486697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.486697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.486697 (E_RNA) where: Base-Base interactions energy: -881.485 where: short stacking energy: -362.570 Base-Backbone interact. energy: -2.289 local terms energy: -413.712493 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -80.456 flat angles C4'-P-C4' energy: -96.698 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -87.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1178.947360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.947360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.947360 (E_RNA) where: Base-Base interactions energy: -774.071 where: short stacking energy: -336.074 Base-Backbone interact. energy: 0.686 local terms energy: -405.561838 where: bonds (distance) C4'-P energy: -87.961 bonds (distance) P-C4' energy: -102.856 flat angles C4'-P-C4' energy: -85.237 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -75.136 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: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -968.773738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.773738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.773738 (E_RNA) where: Base-Base interactions energy: -607.604 where: short stacking energy: -280.886 Base-Backbone interact. energy: 1.030 local terms energy: -362.199326 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -74.097 flat angles C4'-P-C4' energy: -89.071 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -55.562 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: 323 Temperature: 1.300000 Total energy: -754.596059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.596059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.596059 (E_RNA) where: Base-Base interactions energy: -428.022 where: short stacking energy: -204.899 Base-Backbone interact. energy: -0.080 local terms energy: -326.494021 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -93.169 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -41.445 tors. eta vs tors. theta energy: -30.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -594.051086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.051086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.051086 (E_RNA) where: Base-Base interactions energy: -310.184 where: short stacking energy: -171.202 Base-Backbone interact. energy: 2.273 local terms energy: -286.140582 where: bonds (distance) C4'-P energy: -82.339 bonds (distance) P-C4' energy: -84.226 flat angles C4'-P-C4' energy: -66.637 flat angles P-C4'-P energy: -41.956 tors. eta vs tors. theta energy: -10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1853.224638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.224638 (E_RNA) where: Base-Base interactions energy: -1316.189 where: short stacking energy: -532.365 Base-Backbone interact. energy: 0.220 local terms energy: -537.255694 where: bonds (distance) C4'-P energy: -95.983 bonds (distance) P-C4' energy: -106.296 flat angles C4'-P-C4' energy: -111.469 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -148.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1764.373555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.373555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.373555 (E_RNA) where: Base-Base interactions energy: -1220.520 where: short stacking energy: -520.897 Base-Backbone interact. energy: -0.558 local terms energy: -543.295588 where: bonds (distance) C4'-P energy: -86.373 bonds (distance) P-C4' energy: -100.194 flat angles C4'-P-C4' energy: -122.668 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -159.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1701.745801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.745801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.745801 (E_RNA) where: Base-Base interactions energy: -1181.253 where: short stacking energy: -532.611 Base-Backbone interact. energy: -0.498 local terms energy: -519.995475 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -94.064 flat angles C4'-P-C4' energy: -112.764 flat angles P-C4'-P energy: -71.652 tors. eta vs tors. theta energy: -152.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1609.776396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.776396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.776396 (E_RNA) where: Base-Base interactions energy: -1134.219 where: short stacking energy: -466.543 Base-Backbone interact. energy: -3.694 local terms energy: -471.864022 where: bonds (distance) C4'-P energy: -70.694 bonds (distance) P-C4' energy: -101.709 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: -129.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1493.990927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.990927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.990927 (E_RNA) where: Base-Base interactions energy: -1041.192 where: short stacking energy: -420.660 Base-Backbone interact. energy: 0.950 local terms energy: -453.748157 where: bonds (distance) C4'-P energy: -96.338 bonds (distance) P-C4' energy: -99.424 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -55.844 tors. eta vs tors. theta energy: -110.145 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: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1337.563590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.563590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.563590 (E_RNA) where: Base-Base interactions energy: -919.193 where: short stacking energy: -384.167 Base-Backbone interact. energy: -3.072 local terms energy: -415.298570 where: bonds (distance) C4'-P energy: -76.334 bonds (distance) P-C4' energy: -82.178 flat angles C4'-P-C4' energy: -90.083 flat angles P-C4'-P energy: -63.819 tors. eta vs tors. theta energy: -102.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1234.949320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.949320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.949320 (E_RNA) where: Base-Base interactions energy: -821.727 where: short stacking energy: -366.775 Base-Backbone interact. energy: -1.679 local terms energy: -411.543016 where: bonds (distance) C4'-P energy: -89.540 bonds (distance) P-C4' energy: -89.449 flat angles C4'-P-C4' energy: -76.971 flat angles P-C4'-P energy: -55.288 tors. eta vs tors. theta energy: -100.295 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: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1003.444998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.444998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.444998 (E_RNA) where: Base-Base interactions energy: -644.997 where: short stacking energy: -293.983 Base-Backbone interact. energy: -1.100 local terms energy: -357.348247 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -81.491 flat angles C4'-P-C4' energy: -89.952 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -65.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -759.753649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.753649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.753649 (E_RNA) where: Base-Base interactions energy: -475.665 where: short stacking energy: -243.930 Base-Backbone interact. energy: 1.111 local terms energy: -285.199774 where: bonds (distance) C4'-P energy: -62.821 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -45.344 tors. eta vs tors. theta energy: -29.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -674.876598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.876598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.876598 (E_RNA) where: Base-Base interactions energy: -371.721 where: short stacking energy: -192.040 Base-Backbone interact. energy: -3.319 local terms energy: -299.836775 where: bonds (distance) C4'-P energy: -61.070 bonds (distance) P-C4' energy: -83.906 flat angles C4'-P-C4' energy: -89.406 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: -11.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1833.370129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.370129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.370129 (E_RNA) where: Base-Base interactions energy: -1298.040 where: short stacking energy: -535.668 Base-Backbone interact. energy: -3.547 local terms energy: -531.782800 where: bonds (distance) C4'-P energy: -95.986 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -77.747 tors. eta vs tors. theta energy: -149.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1765.763058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.763058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.763058 (E_RNA) where: Base-Base interactions energy: -1229.723 where: short stacking energy: -520.588 Base-Backbone interact. energy: -0.814 local terms energy: -535.225344 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -91.147 flat angles C4'-P-C4' energy: -109.758 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -155.676 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1677.549079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.549079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.549079 (E_RNA) where: Base-Base interactions energy: -1155.577 where: short stacking energy: -526.716 Base-Backbone interact. energy: 4.265 local terms energy: -526.236495 where: bonds (distance) C4'-P energy: -86.309 bonds (distance) P-C4' energy: -88.473 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -79.907 tors. eta vs tors. theta energy: -160.976 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1605.575050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.575050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.575050 (E_RNA) where: Base-Base interactions energy: -1134.613 where: short stacking energy: -458.926 Base-Backbone interact. energy: -1.498 local terms energy: -469.464703 where: bonds (distance) C4'-P energy: -93.707 bonds (distance) P-C4' energy: -80.528 flat angles C4'-P-C4' energy: -101.941 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -128.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1464.167654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.167654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.167654 (E_RNA) where: Base-Base interactions energy: -1042.608 where: short stacking energy: -393.880 Base-Backbone interact. energy: 0.882 local terms energy: -422.441343 where: bonds (distance) C4'-P energy: -77.300 bonds (distance) P-C4' energy: -87.132 flat angles C4'-P-C4' energy: -94.707 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: -97.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1308.948239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.948239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.948239 (E_RNA) where: Base-Base interactions energy: -875.171 where: short stacking energy: -350.272 Base-Backbone interact. energy: -1.640 local terms energy: -432.137257 where: bonds (distance) C4'-P energy: -83.148 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -95.739 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -87.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1182.968076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.968076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.968076 (E_RNA) where: Base-Base interactions energy: -774.956 where: short stacking energy: -332.269 Base-Backbone interact. energy: -2.409 local terms energy: -405.603771 where: bonds (distance) C4'-P energy: -89.511 bonds (distance) P-C4' energy: -86.212 flat angles C4'-P-C4' energy: -89.005 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: -91.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -965.558941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.558941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.558941 (E_RNA) where: Base-Base interactions energy: -631.393 where: short stacking energy: -288.219 Base-Backbone interact. energy: -2.486 local terms energy: -331.680484 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -77.002 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -53.849 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: 325 Temperature: 1.300000 Total energy: -762.966468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.966468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.966468 (E_RNA) where: Base-Base interactions energy: -447.724 where: short stacking energy: -217.762 Base-Backbone interact. energy: 0.092 local terms energy: -315.334490 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -90.204 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -21.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -678.693070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.693070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.693070 (E_RNA) where: Base-Base interactions energy: -384.161 where: short stacking energy: -194.849 Base-Backbone interact. energy: -2.580 local terms energy: -291.952668 where: bonds (distance) C4'-P energy: -93.184 bonds (distance) P-C4' energy: -91.785 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1855.588105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.588105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.588105 (E_RNA) where: Base-Base interactions energy: -1318.166 where: short stacking energy: -525.282 Base-Backbone interact. energy: -4.540 local terms energy: -532.881475 where: bonds (distance) C4'-P energy: -93.097 bonds (distance) P-C4' energy: -102.593 flat angles C4'-P-C4' energy: -110.946 flat angles P-C4'-P energy: -79.486 tors. eta vs tors. theta energy: -146.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1740.827437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.827437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.827437 (E_RNA) where: Base-Base interactions energy: -1208.815 where: short stacking energy: -515.241 Base-Backbone interact. energy: -2.895 local terms energy: -529.117800 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -100.167 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -151.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1681.516327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.516327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.516327 (E_RNA) where: Base-Base interactions energy: -1155.904 where: short stacking energy: -507.423 Base-Backbone interact. energy: -0.586 local terms energy: -525.026735 where: bonds (distance) C4'-P energy: -82.203 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -114.708 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -158.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1637.148554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.148554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.148554 (E_RNA) where: Base-Base interactions energy: -1164.758 where: short stacking energy: -473.279 Base-Backbone interact. energy: -1.927 local terms energy: -470.463564 where: bonds (distance) C4'-P energy: -82.279 bonds (distance) P-C4' energy: -83.930 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -131.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1533.665216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.665216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.665216 (E_RNA) where: Base-Base interactions energy: -1089.561 where: short stacking energy: -441.598 Base-Backbone interact. energy: 0.288 local terms energy: -444.392095 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -94.563 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -60.620 tors. eta vs tors. theta energy: -113.144 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: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1285.476800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.476800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.476800 (E_RNA) where: Base-Base interactions energy: -864.332 where: short stacking energy: -345.495 Base-Backbone interact. energy: -6.373 local terms energy: -414.772407 where: bonds (distance) C4'-P energy: -64.023 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -97.713 flat angles P-C4'-P energy: -82.469 tors. eta vs tors. theta energy: -83.704 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: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1184.504972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.504972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.504972 (E_RNA) where: Base-Base interactions energy: -806.589 where: short stacking energy: -345.976 Base-Backbone interact. energy: -1.297 local terms energy: -376.619256 where: bonds (distance) C4'-P energy: -71.512 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -76.234 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -78.777 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: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -941.658781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.658781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.658781 (E_RNA) where: Base-Base interactions energy: -592.464 where: short stacking energy: -279.062 Base-Backbone interact. energy: 1.601 local terms energy: -350.796329 where: bonds (distance) C4'-P energy: -89.405 bonds (distance) P-C4' energy: -95.550 flat angles C4'-P-C4' energy: -79.605 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -42.562 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: 326 Temperature: 1.300000 Total energy: -764.893798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.893798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.893798 (E_RNA) where: Base-Base interactions energy: -436.218 where: short stacking energy: -223.615 Base-Backbone interact. energy: -0.938 local terms energy: -327.737353 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -73.647 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -31.112 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: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -728.439602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.439602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.439602 (E_RNA) where: Base-Base interactions energy: -430.852 where: short stacking energy: -214.357 Base-Backbone interact. energy: 3.850 local terms energy: -301.437112 where: bonds (distance) C4'-P energy: -64.888 bonds (distance) P-C4' energy: -80.662 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -22.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1796.870779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.870779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.870779 (E_RNA) where: Base-Base interactions energy: -1277.965 where: short stacking energy: -534.286 Base-Backbone interact. energy: 3.188 local terms energy: -522.093921 where: bonds (distance) C4'-P energy: -95.310 bonds (distance) P-C4' energy: -91.233 flat angles C4'-P-C4' energy: -106.887 flat angles P-C4'-P energy: -74.337 tors. eta vs tors. theta energy: -154.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1707.796336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.796336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.796336 (E_RNA) where: Base-Base interactions energy: -1176.209 where: short stacking energy: -524.434 Base-Backbone interact. energy: -2.271 local terms energy: -529.315734 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -101.968 flat angles C4'-P-C4' energy: -118.904 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -152.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1701.502160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.502160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.502160 (E_RNA) where: Base-Base interactions energy: -1167.042 where: short stacking energy: -503.298 Base-Backbone interact. energy: -2.401 local terms energy: -532.059493 where: bonds (distance) C4'-P energy: -97.559 bonds (distance) P-C4' energy: -99.022 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -151.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1602.111097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.111097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.111097 (E_RNA) where: Base-Base interactions energy: -1127.977 where: short stacking energy: -446.175 Base-Backbone interact. energy: -2.063 local terms energy: -472.071496 where: bonds (distance) C4'-P energy: -87.970 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -101.766 flat angles P-C4'-P energy: -66.329 tors. eta vs tors. theta energy: -124.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1480.778843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.778843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.778843 (E_RNA) where: Base-Base interactions energy: -1060.991 where: short stacking energy: -414.391 Base-Backbone interact. energy: -1.254 local terms energy: -418.533541 where: bonds (distance) C4'-P energy: -98.218 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -93.540 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -99.542 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: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1255.578416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.578416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.578416 (E_RNA) where: Base-Base interactions energy: -846.971 where: short stacking energy: -398.823 Base-Backbone interact. energy: -3.541 local terms energy: -405.066129 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -87.521 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: -101.338 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: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1260.274158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.274158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.274158 (E_RNA) where: Base-Base interactions energy: -876.183 where: short stacking energy: -374.487 Base-Backbone interact. energy: 3.015 local terms energy: -387.106552 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -91.621 flat angles C4'-P-C4' energy: -86.144 flat angles P-C4'-P energy: -48.655 tors. eta vs tors. theta energy: -93.744 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: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -926.631672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.631672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.631672 (E_RNA) where: Base-Base interactions energy: -574.267 where: short stacking energy: -278.648 Base-Backbone interact. energy: -0.365 local terms energy: -352.000352 where: bonds (distance) C4'-P energy: -75.442 bonds (distance) P-C4' energy: -91.170 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -48.233 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: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -775.181115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.181115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.181115 (E_RNA) where: Base-Base interactions energy: -454.767 where: short stacking energy: -237.256 Base-Backbone interact. energy: 0.787 local terms energy: -321.200389 where: bonds (distance) C4'-P energy: -73.004 bonds (distance) P-C4' energy: -91.933 flat angles C4'-P-C4' energy: -86.107 flat angles P-C4'-P energy: -39.919 tors. eta vs tors. theta energy: -30.238 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: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -789.077453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.077453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.077453 (E_RNA) where: Base-Base interactions energy: -466.575 where: short stacking energy: -218.127 Base-Backbone interact. energy: -2.702 local terms energy: -319.801106 where: bonds (distance) C4'-P energy: -78.826 bonds (distance) P-C4' energy: -73.734 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -51.233 tors. eta vs tors. theta energy: -37.316 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: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1805.020673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.020673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.020673 (E_RNA) where: Base-Base interactions energy: -1292.864 where: short stacking energy: -523.730 Base-Backbone interact. energy: -2.605 local terms energy: -509.550976 where: bonds (distance) C4'-P energy: -87.848 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -112.835 flat angles P-C4'-P energy: -68.043 tors. eta vs tors. theta energy: -145.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1719.851619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.851619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.851619 (E_RNA) where: Base-Base interactions energy: -1191.543 where: short stacking energy: -540.909 Base-Backbone interact. energy: 0.366 local terms energy: -528.674216 where: bonds (distance) C4'-P energy: -91.789 bonds (distance) P-C4' energy: -95.145 flat angles C4'-P-C4' energy: -117.372 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -152.932 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: 328 Temperature: 1.000000 Total energy: -1620.709686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.709686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.709686 (E_RNA) where: Base-Base interactions energy: -1134.482 where: short stacking energy: -450.988 Base-Backbone interact. energy: -2.320 local terms energy: -483.907001 where: bonds (distance) C4'-P energy: -95.503 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -107.102 flat angles P-C4'-P energy: -74.596 tors. eta vs tors. theta energy: -117.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1652.286425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.286425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.286425 (E_RNA) where: Base-Base interactions energy: -1166.024 where: short stacking energy: -505.810 Base-Backbone interact. energy: -2.995 local terms energy: -483.268043 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -102.464 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -153.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1484.514753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.514753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.514753 (E_RNA) where: Base-Base interactions energy: -1068.849 where: short stacking energy: -407.092 Base-Backbone interact. energy: -2.038 local terms energy: -413.627757 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -94.793 flat angles C4'-P-C4' energy: -86.378 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: -96.861 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: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1273.507859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.507859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.507859 (E_RNA) where: Base-Base interactions energy: -863.813 where: short stacking energy: -380.092 Base-Backbone interact. energy: 5.912 local terms energy: -415.607074 where: bonds (distance) C4'-P energy: -88.429 bonds (distance) P-C4' energy: -80.056 flat angles C4'-P-C4' energy: -93.815 flat angles P-C4'-P energy: -56.824 tors. eta vs tors. theta energy: -96.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1214.681849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.681849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.681849 (E_RNA) where: Base-Base interactions energy: -857.666 where: short stacking energy: -343.194 Base-Backbone interact. energy: -1.738 local terms energy: -355.278334 where: bonds (distance) C4'-P energy: -65.492 bonds (distance) P-C4' energy: -74.325 flat angles C4'-P-C4' energy: -85.577 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -81.663 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: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -911.626886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.626886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.626886 (E_RNA) where: Base-Base interactions energy: -567.740 where: short stacking energy: -289.146 Base-Backbone interact. energy: 2.764 local terms energy: -346.650826 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -82.275 flat angles C4'-P-C4' energy: -84.254 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -44.841 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: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -826.708245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.708245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.708245 (E_RNA) where: Base-Base interactions energy: -509.961 where: short stacking energy: -242.733 Base-Backbone interact. energy: -1.966 local terms energy: -314.781011 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -63.677 flat angles C4'-P-C4' energy: -77.563 flat angles P-C4'-P energy: -54.650 tors. eta vs tors. theta energy: -40.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -774.281211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.281211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.281211 (E_RNA) where: Base-Base interactions energy: -464.253 where: short stacking energy: -218.801 Base-Backbone interact. energy: 0.429 local terms energy: -310.456643 where: bonds (distance) C4'-P energy: -78.591 bonds (distance) P-C4' energy: -83.949 flat angles C4'-P-C4' energy: -78.556 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -21.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1821.146556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.146556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.146556 (E_RNA) where: Base-Base interactions energy: -1297.142 where: short stacking energy: -526.074 Base-Backbone interact. energy: -2.316 local terms energy: -521.688212 where: bonds (distance) C4'-P energy: -85.988 bonds (distance) P-C4' energy: -101.197 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -143.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1732.578543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.578543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.578543 (E_RNA) where: Base-Base interactions energy: -1199.523 where: short stacking energy: -540.798 Base-Backbone interact. energy: 2.696 local terms energy: -535.751316 where: bonds (distance) C4'-P energy: -95.805 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -115.067 flat angles P-C4'-P energy: -70.489 tors. eta vs tors. theta energy: -156.744 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: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1668.065250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.065250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.065250 (E_RNA) where: Base-Base interactions energy: -1151.904 where: short stacking energy: -454.561 Base-Backbone interact. energy: -3.817 local terms energy: -512.344300 where: bonds (distance) C4'-P energy: -108.428 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -107.199 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -137.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1644.062332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.062332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.062332 (E_RNA) where: Base-Base interactions energy: -1147.790 where: short stacking energy: -506.939 Base-Backbone interact. energy: -2.790 local terms energy: -493.481603 where: bonds (distance) C4'-P energy: -95.117 bonds (distance) P-C4' energy: -78.125 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -151.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1501.455909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.455909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.455909 (E_RNA) where: Base-Base interactions energy: -1064.262 where: short stacking energy: -424.078 Base-Backbone interact. energy: 2.521 local terms energy: -439.714754 where: bonds (distance) C4'-P energy: -89.830 bonds (distance) P-C4' energy: -86.719 flat angles C4'-P-C4' energy: -95.746 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -107.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1270.462905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.462905 (E_RNA) where: Base-Base interactions energy: -858.596 where: short stacking energy: -369.355 Base-Backbone interact. energy: -1.093 local terms energy: -410.774098 where: bonds (distance) C4'-P energy: -93.300 bonds (distance) P-C4' energy: -89.256 flat angles C4'-P-C4' energy: -91.587 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -88.056 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: 329 Temperature: 1.200000 Total energy: -1194.767523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.767523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.767523 (E_RNA) where: Base-Base interactions energy: -794.058 where: short stacking energy: -350.161 Base-Backbone interact. energy: 0.736 local terms energy: -401.445566 where: bonds (distance) C4'-P energy: -77.907 bonds (distance) P-C4' energy: -89.009 flat angles C4'-P-C4' energy: -101.855 flat angles P-C4'-P energy: -52.295 tors. eta vs tors. theta energy: -80.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -950.293961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.293961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.293961 (E_RNA) where: Base-Base interactions energy: -597.923 where: short stacking energy: -296.144 Base-Backbone interact. energy: 1.153 local terms energy: -353.524088 where: bonds (distance) C4'-P energy: -69.161 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -88.894 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -66.816 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: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -795.185603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.185603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.185603 (E_RNA) where: Base-Base interactions energy: -452.610 where: short stacking energy: -228.617 Base-Backbone interact. energy: -1.266 local terms energy: -341.309584 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -87.105 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -55.733 tors. eta vs tors. theta energy: -38.699 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: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -784.602013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.602013 (E_RNA) where: Base-Base interactions energy: -466.559 where: short stacking energy: -216.893 Base-Backbone interact. energy: -3.659 local terms energy: -314.384326 where: bonds (distance) C4'-P energy: -80.326 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -83.248 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -25.157 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: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1816.769295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.769295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.769295 (E_RNA) where: Base-Base interactions energy: -1278.244 where: short stacking energy: -529.575 Base-Backbone interact. energy: -1.949 local terms energy: -536.576057 where: bonds (distance) C4'-P energy: -99.958 bonds (distance) P-C4' energy: -97.341 flat angles C4'-P-C4' energy: -116.943 flat angles P-C4'-P energy: -76.315 tors. eta vs tors. theta energy: -146.019 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: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1746.742667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.742667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.742667 (E_RNA) where: Base-Base interactions energy: -1217.225 where: short stacking energy: -534.930 Base-Backbone interact. energy: -3.658 local terms energy: -525.859697 where: bonds (distance) C4'-P energy: -94.630 bonds (distance) P-C4' energy: -100.329 flat angles C4'-P-C4' energy: -112.033 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -152.874 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: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1703.282528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.282528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.282528 (E_RNA) where: Base-Base interactions energy: -1179.314 where: short stacking energy: -520.006 Base-Backbone interact. energy: -3.024 local terms energy: -520.943850 where: bonds (distance) C4'-P energy: -94.433 bonds (distance) P-C4' energy: -93.752 flat angles C4'-P-C4' energy: -113.221 flat angles P-C4'-P energy: -70.007 tors. eta vs tors. theta energy: -149.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1639.332672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.332672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.332672 (E_RNA) where: Base-Base interactions energy: -1151.711 where: short stacking energy: -458.034 Base-Backbone interact. energy: -4.119 local terms energy: -483.502861 where: bonds (distance) C4'-P energy: -91.186 bonds (distance) P-C4' energy: -95.390 flat angles C4'-P-C4' energy: -103.182 flat angles P-C4'-P energy: -65.693 tors. eta vs tors. theta energy: -128.052 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: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1519.833342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.833342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.833342 (E_RNA) where: Base-Base interactions energy: -1076.155 where: short stacking energy: -431.190 Base-Backbone interact. energy: -0.406 local terms energy: -443.272709 where: bonds (distance) C4'-P energy: -81.121 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -92.798 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -115.067 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: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1252.565978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.565978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.565978 (E_RNA) where: Base-Base interactions energy: -817.145 where: short stacking energy: -359.718 Base-Backbone interact. energy: -0.155 local terms energy: -435.265980 where: bonds (distance) C4'-P energy: -89.795 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -76.768 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: 330 Temperature: 1.200000 Total energy: -1183.777365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.777365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.777365 (E_RNA) where: Base-Base interactions energy: -803.784 where: short stacking energy: -326.482 Base-Backbone interact. energy: -0.380 local terms energy: -379.613810 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -77.191 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -70.466 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: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -943.686862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.686862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.686862 (E_RNA) where: Base-Base interactions energy: -561.700 where: short stacking energy: -274.654 Base-Backbone interact. energy: -0.765 local terms energy: -381.221862 where: bonds (distance) C4'-P energy: -86.483 bonds (distance) P-C4' energy: -100.801 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -63.801 tors. eta vs tors. theta energy: -46.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -764.644256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.644256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.644256 (E_RNA) where: Base-Base interactions energy: -435.937 where: short stacking energy: -234.750 Base-Backbone interact. energy: -1.373 local terms energy: -327.334025 where: bonds (distance) C4'-P energy: -88.204 bonds (distance) P-C4' energy: -88.353 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -16.327 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: 10, replica: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -745.542853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.542853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.542853 (E_RNA) where: Base-Base interactions energy: -465.013 where: short stacking energy: -222.222 Base-Backbone interact. energy: -1.441 local terms energy: -279.088144 where: bonds (distance) C4'-P energy: -60.191 bonds (distance) P-C4' energy: -88.590 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -27.816 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: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1819.129879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.129879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.129879 (E_RNA) where: Base-Base interactions energy: -1289.138 where: short stacking energy: -538.308 Base-Backbone interact. energy: -3.553 local terms energy: -526.438728 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -101.301 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -82.226 tors. eta vs tors. theta energy: -141.919 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: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1758.130220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.130220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.130220 (E_RNA) where: Base-Base interactions energy: -1229.084 where: short stacking energy: -544.749 Base-Backbone interact. energy: -1.509 local terms energy: -527.536974 where: bonds (distance) C4'-P energy: -93.323 bonds (distance) P-C4' energy: -92.075 flat angles C4'-P-C4' energy: -104.434 flat angles P-C4'-P energy: -74.769 tors. eta vs tors. theta energy: -162.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1706.475887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.475887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.475887 (E_RNA) where: Base-Base interactions energy: -1190.120 where: short stacking energy: -523.737 Base-Backbone interact. energy: -2.718 local terms energy: -513.638078 where: bonds (distance) C4'-P energy: -80.667 bonds (distance) P-C4' energy: -91.893 flat angles C4'-P-C4' energy: -108.996 flat angles P-C4'-P energy: -77.569 tors. eta vs tors. theta energy: -154.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1605.690548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.690548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.690548 (E_RNA) where: Base-Base interactions energy: -1133.682 where: short stacking energy: -455.121 Base-Backbone interact. energy: -3.294 local terms energy: -468.714117 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -83.848 flat angles C4'-P-C4' energy: -93.914 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -127.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1513.254240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.254240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.254240 (E_RNA) where: Base-Base interactions energy: -1051.275 where: short stacking energy: -429.153 Base-Backbone interact. energy: -2.243 local terms energy: -459.735627 where: bonds (distance) C4'-P energy: -89.828 bonds (distance) P-C4' energy: -103.087 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -116.108 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: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1231.484084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.484084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.484084 (E_RNA) where: Base-Base interactions energy: -835.237 where: short stacking energy: -350.833 Base-Backbone interact. energy: -2.951 local terms energy: -393.296238 where: bonds (distance) C4'-P energy: -84.981 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -82.536 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -88.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1200.038753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.038753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.038753 (E_RNA) where: Base-Base interactions energy: -818.372 where: short stacking energy: -336.252 Base-Backbone interact. energy: -1.942 local terms energy: -379.724042 where: bonds (distance) C4'-P energy: -74.767 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -88.676 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -74.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -885.135745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.135745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.135745 (E_RNA) where: Base-Base interactions energy: -533.471 where: short stacking energy: -257.193 Base-Backbone interact. energy: -0.665 local terms energy: -351.000318 where: bonds (distance) C4'-P energy: -84.611 bonds (distance) P-C4' energy: -88.674 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -65.572 tors. eta vs tors. theta energy: -45.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -791.019268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.019268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.019268 (E_RNA) where: Base-Base interactions energy: -472.318 where: short stacking energy: -235.036 Base-Backbone interact. energy: -1.419 local terms energy: -317.281682 where: bonds (distance) C4'-P energy: -70.244 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -81.891 flat angles P-C4'-P energy: -47.185 tors. eta vs tors. theta energy: -26.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -794.053544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.053544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.053544 (E_RNA) where: Base-Base interactions energy: -492.363 where: short stacking energy: -242.196 Base-Backbone interact. energy: 4.779 local terms energy: -306.469521 where: bonds (distance) C4'-P energy: -64.174 bonds (distance) P-C4' energy: -84.251 flat angles C4'-P-C4' energy: -75.322 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: -29.033 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: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1812.895610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.895610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.895610 (E_RNA) where: Base-Base interactions energy: -1287.713 where: short stacking energy: -509.114 Base-Backbone interact. energy: 1.530 local terms energy: -526.712650 where: bonds (distance) C4'-P energy: -91.902 bonds (distance) P-C4' energy: -105.891 flat angles C4'-P-C4' energy: -113.283 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -139.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1734.966995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.966995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.966995 (E_RNA) where: Base-Base interactions energy: -1205.705 where: short stacking energy: -543.791 Base-Backbone interact. energy: -1.912 local terms energy: -527.349827 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -86.883 flat angles C4'-P-C4' energy: -108.106 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -166.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1698.161379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.161379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.161379 (E_RNA) where: Base-Base interactions energy: -1174.866 where: short stacking energy: -515.961 Base-Backbone interact. energy: -4.763 local terms energy: -518.532403 where: bonds (distance) C4'-P energy: -95.928 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -109.566 flat angles P-C4'-P energy: -68.429 tors. eta vs tors. theta energy: -146.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1569.493921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.493921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.493921 (E_RNA) where: Base-Base interactions energy: -1090.799 where: short stacking energy: -459.887 Base-Backbone interact. energy: -1.927 local terms energy: -476.767375 where: bonds (distance) C4'-P energy: -87.152 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -94.060 flat angles P-C4'-P energy: -73.965 tors. eta vs tors. theta energy: -125.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1501.965911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.965911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.965911 (E_RNA) where: Base-Base interactions energy: -1051.764 where: short stacking energy: -428.092 Base-Backbone interact. energy: 0.842 local terms energy: -451.043865 where: bonds (distance) C4'-P energy: -80.089 bonds (distance) P-C4' energy: -86.597 flat angles C4'-P-C4' energy: -100.270 flat angles P-C4'-P energy: -72.231 tors. eta vs tors. theta energy: -111.857 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: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1238.301901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.301901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.301901 (E_RNA) where: Base-Base interactions energy: -811.848 where: short stacking energy: -360.523 Base-Backbone interact. energy: -1.948 local terms energy: -424.506173 where: bonds (distance) C4'-P energy: -83.578 bonds (distance) P-C4' energy: -92.112 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: -90.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1175.154368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.154368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.154368 (E_RNA) where: Base-Base interactions energy: -774.122 where: short stacking energy: -340.251 Base-Backbone interact. energy: -1.007 local terms energy: -400.024922 where: bonds (distance) C4'-P energy: -90.828 bonds (distance) P-C4' energy: -82.858 flat angles C4'-P-C4' energy: -96.145 flat angles P-C4'-P energy: -53.235 tors. eta vs tors. theta energy: -76.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -885.329267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.329267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.329267 (E_RNA) where: Base-Base interactions energy: -547.310 where: short stacking energy: -266.985 Base-Backbone interact. energy: 2.376 local terms energy: -340.394498 where: bonds (distance) C4'-P energy: -87.448 bonds (distance) P-C4' energy: -94.294 flat angles C4'-P-C4' energy: -79.939 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -37.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -819.490577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.490577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.490577 (E_RNA) where: Base-Base interactions energy: -490.029 where: short stacking energy: -248.934 Base-Backbone interact. energy: 11.573 local terms energy: -341.034444 where: bonds (distance) C4'-P energy: -78.106 bonds (distance) P-C4' energy: -76.929 flat angles C4'-P-C4' energy: -90.977 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -41.272 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: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -738.193389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.193389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.193389 (E_RNA) where: Base-Base interactions energy: -433.820 where: short stacking energy: -205.494 Base-Backbone interact. energy: 3.498 local terms energy: -307.871229 where: bonds (distance) C4'-P energy: -82.119 bonds (distance) P-C4' energy: -83.889 flat angles C4'-P-C4' energy: -73.320 flat angles P-C4'-P energy: -45.416 tors. eta vs tors. theta energy: -23.127 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: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1819.129715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.129715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.129715 (E_RNA) where: Base-Base interactions energy: -1286.411 where: short stacking energy: -530.146 Base-Backbone interact. energy: 1.257 local terms energy: -533.976115 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -95.712 flat angles C4'-P-C4' energy: -118.309 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -144.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1747.657860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.657860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.657860 (E_RNA) where: Base-Base interactions energy: -1203.055 where: short stacking energy: -528.249 Base-Backbone interact. energy: -1.374 local terms energy: -543.228626 where: bonds (distance) C4'-P energy: -95.528 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -119.402 flat angles P-C4'-P energy: -68.544 tors. eta vs tors. theta energy: -165.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1704.461962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.461962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.461962 (E_RNA) where: Base-Base interactions energy: -1194.360 where: short stacking energy: -509.814 Base-Backbone interact. energy: -1.272 local terms energy: -508.830580 where: bonds (distance) C4'-P energy: -88.904 bonds (distance) P-C4' energy: -89.607 flat angles C4'-P-C4' energy: -104.547 flat angles P-C4'-P energy: -73.010 tors. eta vs tors. theta energy: -152.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1619.698818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.698818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.698818 (E_RNA) where: Base-Base interactions energy: -1134.766 where: short stacking energy: -487.168 Base-Backbone interact. energy: -1.648 local terms energy: -483.285102 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -82.677 flat angles C4'-P-C4' energy: -106.411 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -129.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1481.545209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.545209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.545209 (E_RNA) where: Base-Base interactions energy: -1063.712 where: short stacking energy: -412.071 Base-Backbone interact. energy: 2.101 local terms energy: -419.933487 where: bonds (distance) C4'-P energy: -100.415 bonds (distance) P-C4' energy: -87.171 flat angles C4'-P-C4' energy: -77.326 flat angles P-C4'-P energy: -59.612 tors. eta vs tors. theta energy: -95.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1262.403418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.403418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.403418 (E_RNA) where: Base-Base interactions energy: -833.729 where: short stacking energy: -385.020 Base-Backbone interact. energy: 0.875 local terms energy: -429.549783 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -66.979 tors. eta vs tors. theta energy: -101.608 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: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1200.659886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.659886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.659886 (E_RNA) where: Base-Base interactions energy: -809.099 where: short stacking energy: -324.075 Base-Backbone interact. energy: 0.049 local terms energy: -391.609429 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -97.999 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: -69.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -914.919330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.919330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.919330 (E_RNA) where: Base-Base interactions energy: -573.809 where: short stacking energy: -265.049 Base-Backbone interact. energy: -1.539 local terms energy: -339.571063 where: bonds (distance) C4'-P energy: -85.022 bonds (distance) P-C4' energy: -78.825 flat angles C4'-P-C4' energy: -80.273 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -36.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -833.638888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.638888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.638888 (E_RNA) where: Base-Base interactions energy: -495.761 where: short stacking energy: -247.355 Base-Backbone interact. energy: 0.323 local terms energy: -338.200215 where: bonds (distance) C4'-P energy: -82.577 bonds (distance) P-C4' energy: -96.089 flat angles C4'-P-C4' energy: -75.564 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -32.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -768.359719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.359719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.359719 (E_RNA) where: Base-Base interactions energy: -455.744 where: short stacking energy: -208.115 Base-Backbone interact. energy: 5.395 local terms energy: -318.010705 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -93.899 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -49.877 tors. eta vs tors. theta energy: -38.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1839.459509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.459509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.459509 (E_RNA) where: Base-Base interactions energy: -1311.905 where: short stacking energy: -542.958 Base-Backbone interact. energy: -4.602 local terms energy: -522.952300 where: bonds (distance) C4'-P energy: -85.223 bonds (distance) P-C4' energy: -105.605 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -71.119 tors. eta vs tors. theta energy: -154.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1761.817154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.817154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.817154 (E_RNA) where: Base-Base interactions energy: -1226.696 where: short stacking energy: -541.850 Base-Backbone interact. energy: -3.671 local terms energy: -531.449371 where: bonds (distance) C4'-P energy: -98.659 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -107.470 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -161.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1725.260340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.260340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.260340 (E_RNA) where: Base-Base interactions energy: -1187.413 where: short stacking energy: -511.111 Base-Backbone interact. energy: -2.715 local terms energy: -535.131737 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -96.487 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -159.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1576.988243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.988243 (E_RNA) where: Base-Base interactions energy: -1079.505 where: short stacking energy: -446.008 Base-Backbone interact. energy: -4.362 local terms energy: -493.121708 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -88.492 flat angles C4'-P-C4' energy: -105.383 flat angles P-C4'-P energy: -69.860 tors. eta vs tors. theta energy: -137.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1513.920724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.920724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.920724 (E_RNA) where: Base-Base interactions energy: -1076.194 where: short stacking energy: -424.624 Base-Backbone interact. energy: -4.393 local terms energy: -433.334173 where: bonds (distance) C4'-P energy: -69.934 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -107.823 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: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1253.384653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.384653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.384653 (E_RNA) where: Base-Base interactions energy: -832.023 where: short stacking energy: -381.786 Base-Backbone interact. energy: -0.408 local terms energy: -420.953405 where: bonds (distance) C4'-P energy: -84.032 bonds (distance) P-C4' energy: -88.119 flat angles C4'-P-C4' energy: -99.411 flat angles P-C4'-P energy: -60.803 tors. eta vs tors. theta energy: -88.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1270.132846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.132846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.132846 (E_RNA) where: Base-Base interactions energy: -882.818 where: short stacking energy: -354.406 Base-Backbone interact. energy: -1.678 local terms energy: -385.636925 where: bonds (distance) C4'-P energy: -73.476 bonds (distance) P-C4' energy: -83.853 flat angles C4'-P-C4' energy: -89.881 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -80.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -897.569326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.569326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.569326 (E_RNA) where: Base-Base interactions energy: -571.820 where: short stacking energy: -257.106 Base-Backbone interact. energy: -2.298 local terms energy: -323.452105 where: bonds (distance) C4'-P energy: -86.251 bonds (distance) P-C4' energy: -81.164 flat angles C4'-P-C4' energy: -73.533 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: -45.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -814.621570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.621570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.621570 (E_RNA) where: Base-Base interactions energy: -483.608 where: short stacking energy: -233.211 Base-Backbone interact. energy: 0.822 local terms energy: -331.836065 where: bonds (distance) C4'-P energy: -90.676 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -87.789 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -20.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -804.832697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.832697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.832697 (E_RNA) where: Base-Base interactions energy: -495.951 where: short stacking energy: -238.828 Base-Backbone interact. energy: -0.918 local terms energy: -307.964007 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -76.167 flat angles C4'-P-C4' energy: -74.043 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -43.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1826.720834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.720834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.720834 (E_RNA) where: Base-Base interactions energy: -1282.866 where: short stacking energy: -523.541 Base-Backbone interact. energy: -2.696 local terms energy: -541.159199 where: bonds (distance) C4'-P energy: -107.644 bonds (distance) P-C4' energy: -97.086 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -77.949 tors. eta vs tors. theta energy: -148.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1762.634497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.634497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.634497 (E_RNA) where: Base-Base interactions energy: -1230.713 where: short stacking energy: -539.338 Base-Backbone interact. energy: -3.080 local terms energy: -528.842000 where: bonds (distance) C4'-P energy: -79.853 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -152.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1705.720313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.720313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.720313 (E_RNA) where: Base-Base interactions energy: -1182.041 where: short stacking energy: -521.342 Base-Backbone interact. energy: -1.391 local terms energy: -522.289273 where: bonds (distance) C4'-P energy: -80.094 bonds (distance) P-C4' energy: -94.809 flat angles C4'-P-C4' energy: -109.891 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -159.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1610.009124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.009124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.009124 (E_RNA) where: Base-Base interactions energy: -1131.948 where: short stacking energy: -461.632 Base-Backbone interact. energy: -2.939 local terms energy: -475.122604 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -102.638 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -121.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1522.630601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.630601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.630601 (E_RNA) where: Base-Base interactions energy: -1085.219 where: short stacking energy: -438.760 Base-Backbone interact. energy: 5.707 local terms energy: -443.117915 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -91.937 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -107.637 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: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1316.165646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.165646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.165646 (E_RNA) where: Base-Base interactions energy: -891.722 where: short stacking energy: -385.739 Base-Backbone interact. energy: -1.550 local terms energy: -422.893963 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -83.144 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -105.323 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: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1201.299076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.299076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.299076 (E_RNA) where: Base-Base interactions energy: -818.952 where: short stacking energy: -340.015 Base-Backbone interact. energy: -0.403 local terms energy: -381.943469 where: bonds (distance) C4'-P energy: -80.064 bonds (distance) P-C4' energy: -80.976 flat angles C4'-P-C4' energy: -91.106 flat angles P-C4'-P energy: -63.096 tors. eta vs tors. theta energy: -66.702 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -910.921997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.921997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.921997 (E_RNA) where: Base-Base interactions energy: -546.193 where: short stacking energy: -285.179 Base-Backbone interact. energy: -1.038 local terms energy: -363.690950 where: bonds (distance) C4'-P energy: -82.486 bonds (distance) P-C4' energy: -88.239 flat angles C4'-P-C4' energy: -84.409 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -64.168 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: 335 Temperature: 1.300000 Total energy: -785.441162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.441162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.441162 (E_RNA) where: Base-Base interactions energy: -471.112 where: short stacking energy: -248.396 Base-Backbone interact. energy: -0.279 local terms energy: -314.049988 where: bonds (distance) C4'-P energy: -71.548 bonds (distance) P-C4' energy: -80.713 flat angles C4'-P-C4' energy: -86.249 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: -35.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -778.932113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.932113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.932113 (E_RNA) where: Base-Base interactions energy: -469.667 where: short stacking energy: -242.396 Base-Backbone interact. energy: -0.801 local terms energy: -308.465006 where: bonds (distance) C4'-P energy: -85.113 bonds (distance) P-C4' energy: -69.378 flat angles C4'-P-C4' energy: -76.219 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -36.737 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: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1835.601671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.601671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.601671 (E_RNA) where: Base-Base interactions energy: -1298.719 where: short stacking energy: -549.252 Base-Backbone interact. energy: -2.727 local terms energy: -534.155591 where: bonds (distance) C4'-P energy: -83.853 bonds (distance) P-C4' energy: -105.478 flat angles C4'-P-C4' energy: -110.952 flat angles P-C4'-P energy: -80.504 tors. eta vs tors. theta energy: -153.368 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: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1759.738041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.738041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.738041 (E_RNA) where: Base-Base interactions energy: -1224.779 where: short stacking energy: -531.060 Base-Backbone interact. energy: -2.192 local terms energy: -532.766525 where: bonds (distance) C4'-P energy: -90.260 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -158.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1708.095202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.095202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.095202 (E_RNA) where: Base-Base interactions energy: -1200.100 where: short stacking energy: -539.025 Base-Backbone interact. energy: -3.488 local terms energy: -504.508023 where: bonds (distance) C4'-P energy: -96.134 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -104.729 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -151.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1606.232331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.232331 (E_RNA) where: Base-Base interactions energy: -1142.030 where: short stacking energy: -460.264 Base-Backbone interact. energy: -1.026 local terms energy: -463.176614 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -91.988 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -55.863 tors. eta vs tors. theta energy: -131.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1528.398462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.398462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.398462 (E_RNA) where: Base-Base interactions energy: -1088.419 where: short stacking energy: -442.199 Base-Backbone interact. energy: -4.526 local terms energy: -435.453708 where: bonds (distance) C4'-P energy: -83.249 bonds (distance) P-C4' energy: -72.537 flat angles C4'-P-C4' energy: -96.897 flat angles P-C4'-P energy: -72.000 tors. eta vs tors. theta energy: -110.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1334.571071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.571071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.571071 (E_RNA) where: Base-Base interactions energy: -905.686 where: short stacking energy: -401.329 Base-Backbone interact. energy: -0.375 local terms energy: -428.510327 where: bonds (distance) C4'-P energy: -77.557 bonds (distance) P-C4' energy: -88.248 flat angles C4'-P-C4' energy: -97.057 flat angles P-C4'-P energy: -52.660 tors. eta vs tors. theta energy: -112.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1232.619610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.619610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.619610 (E_RNA) where: Base-Base interactions energy: -832.109 where: short stacking energy: -356.452 Base-Backbone interact. energy: -2.626 local terms energy: -397.884887 where: bonds (distance) C4'-P energy: -66.732 bonds (distance) P-C4' energy: -86.138 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -59.567 tors. eta vs tors. theta energy: -89.089 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: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -901.519248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.519248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.519248 (E_RNA) where: Base-Base interactions energy: -533.758 where: short stacking energy: -236.494 Base-Backbone interact. energy: 2.107 local terms energy: -369.867974 where: bonds (distance) C4'-P energy: -82.078 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -92.549 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: -56.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -818.728833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.728833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.728833 (E_RNA) where: Base-Base interactions energy: -503.271 where: short stacking energy: -240.807 Base-Backbone interact. energy: -3.773 local terms energy: -311.684783 where: bonds (distance) C4'-P energy: -78.777 bonds (distance) P-C4' energy: -89.269 flat angles C4'-P-C4' energy: -78.326 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: -30.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -748.332703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.332703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.332703 (E_RNA) where: Base-Base interactions energy: -462.854 where: short stacking energy: -213.402 Base-Backbone interact. energy: 0.017 local terms energy: -285.495655 where: bonds (distance) C4'-P energy: -76.096 bonds (distance) P-C4' energy: -76.874 flat angles C4'-P-C4' energy: -80.528 flat angles P-C4'-P energy: -27.888 tors. eta vs tors. theta energy: -24.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1827.649312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.649312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.649312 (E_RNA) where: Base-Base interactions energy: -1297.949 where: short stacking energy: -537.256 Base-Backbone interact. energy: 3.984 local terms energy: -533.684214 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -68.033 tors. eta vs tors. theta energy: -155.814 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1753.639082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.639082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.639082 (E_RNA) where: Base-Base interactions energy: -1217.554 where: short stacking energy: -515.598 Base-Backbone interact. energy: -1.387 local terms energy: -534.697664 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -95.608 flat angles C4'-P-C4' energy: -107.396 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -151.788 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: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1711.808599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.808599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.808599 (E_RNA) where: Base-Base interactions energy: -1186.615 where: short stacking energy: -512.213 Base-Backbone interact. energy: -1.170 local terms energy: -524.023645 where: bonds (distance) C4'-P energy: -94.377 bonds (distance) P-C4' energy: -101.113 flat angles C4'-P-C4' energy: -109.150 flat angles P-C4'-P energy: -68.655 tors. eta vs tors. theta energy: -150.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1621.190043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.190043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.190043 (E_RNA) where: Base-Base interactions energy: -1135.383 where: short stacking energy: -444.745 Base-Backbone interact. energy: -2.047 local terms energy: -483.759732 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -100.292 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -127.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1527.889243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.889243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.889243 (E_RNA) where: Base-Base interactions energy: -1089.438 where: short stacking energy: -447.442 Base-Backbone interact. energy: -4.172 local terms energy: -434.279300 where: bonds (distance) C4'-P energy: -81.697 bonds (distance) P-C4' energy: -73.369 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -110.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1357.587485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.587485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.587485 (E_RNA) where: Base-Base interactions energy: -915.975 where: short stacking energy: -396.287 Base-Backbone interact. energy: 0.841 local terms energy: -442.453197 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -81.333 flat angles C4'-P-C4' energy: -108.731 flat angles P-C4'-P energy: -61.077 tors. eta vs tors. theta energy: -110.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1243.884509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.884509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.884509 (E_RNA) where: Base-Base interactions energy: -872.454 where: short stacking energy: -371.346 Base-Backbone interact. energy: -3.461 local terms energy: -367.969446 where: bonds (distance) C4'-P energy: -75.160 bonds (distance) P-C4' energy: -78.286 flat angles C4'-P-C4' energy: -81.954 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -76.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -959.110211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.110211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.110211 (E_RNA) where: Base-Base interactions energy: -594.175 where: short stacking energy: -297.553 Base-Backbone interact. energy: 0.730 local terms energy: -365.665435 where: bonds (distance) C4'-P energy: -89.552 bonds (distance) P-C4' energy: -96.819 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -58.406 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: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -858.970971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.970971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.970971 (E_RNA) where: Base-Base interactions energy: -548.195 where: short stacking energy: -260.741 Base-Backbone interact. energy: 1.708 local terms energy: -312.483881 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -89.480 flat angles C4'-P-C4' energy: -75.399 flat angles P-C4'-P energy: -38.219 tors. eta vs tors. theta energy: -44.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -753.166344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.166344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.166344 (E_RNA) where: Base-Base interactions energy: -448.849 where: short stacking energy: -222.765 Base-Backbone interact. energy: -0.486 local terms energy: -303.830888 where: bonds (distance) C4'-P energy: -61.722 bonds (distance) P-C4' energy: -81.497 flat angles C4'-P-C4' energy: -81.467 flat angles P-C4'-P energy: -56.555 tors. eta vs tors. theta energy: -22.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1817.875943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.875943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.875943 (E_RNA) where: Base-Base interactions energy: -1303.467 where: short stacking energy: -543.193 Base-Backbone interact. energy: -2.905 local terms energy: -511.503826 where: bonds (distance) C4'-P energy: -93.275 bonds (distance) P-C4' energy: -97.449 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -70.122 tors. eta vs tors. theta energy: -141.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1765.023922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.023922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.023922 (E_RNA) where: Base-Base interactions energy: -1231.717 where: short stacking energy: -514.502 Base-Backbone interact. energy: -1.319 local terms energy: -531.987807 where: bonds (distance) C4'-P energy: -104.973 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -112.016 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -145.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1723.441800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.441800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.441800 (E_RNA) where: Base-Base interactions energy: -1180.571 where: short stacking energy: -506.979 Base-Backbone interact. energy: -1.543 local terms energy: -541.327421 where: bonds (distance) C4'-P energy: -107.436 bonds (distance) P-C4' energy: -102.368 flat angles C4'-P-C4' energy: -101.886 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -150.588 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: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1621.700504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.700504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.700504 (E_RNA) where: Base-Base interactions energy: -1160.398 where: short stacking energy: -464.342 Base-Backbone interact. energy: 2.857 local terms energy: -464.159733 where: bonds (distance) C4'-P energy: -90.641 bonds (distance) P-C4' energy: -93.809 flat angles C4'-P-C4' energy: -88.699 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -120.716 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: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1515.353067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.353067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.353067 (E_RNA) where: Base-Base interactions energy: -1096.224 where: short stacking energy: -436.609 Base-Backbone interact. energy: -2.631 local terms energy: -416.498476 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -81.392 flat angles C4'-P-C4' energy: -98.716 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: -109.939 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: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1339.262005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.262005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.262005 (E_RNA) where: Base-Base interactions energy: -908.541 where: short stacking energy: -406.835 Base-Backbone interact. energy: -0.976 local terms energy: -429.744860 where: bonds (distance) C4'-P energy: -83.930 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -90.897 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: -107.003 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: 338 Temperature: 1.200000 Total energy: -1244.715593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.715593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.715593 (E_RNA) where: Base-Base interactions energy: -840.076 where: short stacking energy: -355.589 Base-Backbone interact. energy: -4.311 local terms energy: -400.327960 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -90.912 flat angles C4'-P-C4' energy: -93.265 flat angles P-C4'-P energy: -62.774 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -888.794358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.794358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.794358 (E_RNA) where: Base-Base interactions energy: -549.817 where: short stacking energy: -270.299 Base-Backbone interact. energy: -1.614 local terms energy: -337.363298 where: bonds (distance) C4'-P energy: -89.136 bonds (distance) P-C4' energy: -89.675 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -40.798 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: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -863.063406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.063406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.063406 (E_RNA) where: Base-Base interactions energy: -532.675 where: short stacking energy: -255.888 Base-Backbone interact. energy: -2.598 local terms energy: -327.790407 where: bonds (distance) C4'-P energy: -81.997 bonds (distance) P-C4' energy: -82.928 flat angles C4'-P-C4' energy: -76.370 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -39.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -788.221642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.221642 (E_RNA) where: Base-Base interactions energy: -481.410 where: short stacking energy: -231.459 Base-Backbone interact. energy: -2.951 local terms energy: -303.861083 where: bonds (distance) C4'-P energy: -79.699 bonds (distance) P-C4' energy: -88.881 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -37.217 tors. eta vs tors. theta energy: -16.510 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: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1834.838468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.838468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.838468 (E_RNA) where: Base-Base interactions energy: -1312.019 where: short stacking energy: -540.144 Base-Backbone interact. energy: -1.995 local terms energy: -520.823958 where: bonds (distance) C4'-P energy: -94.805 bonds (distance) P-C4' energy: -97.588 flat angles C4'-P-C4' energy: -107.214 flat angles P-C4'-P energy: -78.019 tors. eta vs tors. theta energy: -143.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1740.772766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.772766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.772766 (E_RNA) where: Base-Base interactions energy: -1222.127 where: short stacking energy: -530.317 Base-Backbone interact. energy: -2.020 local terms energy: -516.624919 where: bonds (distance) C4'-P energy: -93.883 bonds (distance) P-C4' energy: -98.833 flat angles C4'-P-C4' energy: -103.783 flat angles P-C4'-P energy: -71.945 tors. eta vs tors. theta energy: -148.180 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: 339 Temperature: 1.000000 Total energy: -1676.181855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.181855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.181855 (E_RNA) where: Base-Base interactions energy: -1176.940 where: short stacking energy: -508.903 Base-Backbone interact. energy: 3.191 local terms energy: -502.432680 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -79.843 flat angles C4'-P-C4' energy: -109.278 flat angles P-C4'-P energy: -61.141 tors. eta vs tors. theta energy: -157.045 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: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1629.327309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.327309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.327309 (E_RNA) where: Base-Base interactions energy: -1157.005 where: short stacking energy: -464.206 Base-Backbone interact. energy: 1.997 local terms energy: -474.319634 where: bonds (distance) C4'-P energy: -98.584 bonds (distance) P-C4' energy: -86.558 flat angles C4'-P-C4' energy: -104.929 flat angles P-C4'-P energy: -60.743 tors. eta vs tors. theta energy: -123.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1516.766346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.766346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.766346 (E_RNA) where: Base-Base interactions energy: -1066.030 where: short stacking energy: -443.927 Base-Backbone interact. energy: -0.751 local terms energy: -449.985538 where: bonds (distance) C4'-P energy: -90.785 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -82.919 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -125.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1300.542536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.542536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.542536 (E_RNA) where: Base-Base interactions energy: -880.649 where: short stacking energy: -376.524 Base-Backbone interact. energy: -2.912 local terms energy: -416.981628 where: bonds (distance) C4'-P energy: -89.408 bonds (distance) P-C4' energy: -73.140 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -68.533 tors. eta vs tors. theta energy: -100.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1234.670786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.670786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.670786 (E_RNA) where: Base-Base interactions energy: -835.141 where: short stacking energy: -376.295 Base-Backbone interact. energy: -2.457 local terms energy: -397.072458 where: bonds (distance) C4'-P energy: -67.796 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -96.523 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: -94.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -858.791621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.791621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.791621 (E_RNA) where: Base-Base interactions energy: -517.686 where: short stacking energy: -221.368 Base-Backbone interact. energy: -0.316 local terms energy: -340.789008 where: bonds (distance) C4'-P energy: -95.269 bonds (distance) P-C4' energy: -85.664 flat angles C4'-P-C4' energy: -82.108 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -28.470 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: 339 Temperature: 1.300000 Total energy: -830.156947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.156947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.156947 (E_RNA) where: Base-Base interactions energy: -513.583 where: short stacking energy: -234.415 Base-Backbone interact. energy: 2.485 local terms energy: -319.058521 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -47.703 tors. eta vs tors. theta energy: -34.875 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: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -796.423244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.423244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.423244 (E_RNA) where: Base-Base interactions energy: -494.432 where: short stacking energy: -216.375 Base-Backbone interact. energy: -0.428 local terms energy: -301.563687 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -85.181 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -19.015 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: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1837.488647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.488647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.488647 (E_RNA) where: Base-Base interactions energy: -1308.600 where: short stacking energy: -526.676 Base-Backbone interact. energy: -1.745 local terms energy: -527.143742 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -108.318 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -148.708 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: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1752.772300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.772300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.772300 (E_RNA) where: Base-Base interactions energy: -1226.302 where: short stacking energy: -525.312 Base-Backbone interact. energy: -1.700 local terms energy: -524.770563 where: bonds (distance) C4'-P energy: -88.133 bonds (distance) P-C4' energy: -88.054 flat angles C4'-P-C4' energy: -114.966 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -162.050 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: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1686.948500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.948500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.948500 (E_RNA) where: Base-Base interactions energy: -1168.817 where: short stacking energy: -505.383 Base-Backbone interact. energy: 0.836 local terms energy: -518.967646 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -94.525 flat angles C4'-P-C4' energy: -101.727 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -156.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1580.774924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.774924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.774924 (E_RNA) where: Base-Base interactions energy: -1100.409 where: short stacking energy: -450.863 Base-Backbone interact. energy: 0.476 local terms energy: -480.841537 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -95.342 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: -120.530 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: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1534.020469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.020469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.020469 (E_RNA) where: Base-Base interactions energy: -1072.232 where: short stacking energy: -448.008 Base-Backbone interact. energy: 0.266 local terms energy: -462.055182 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -79.449 flat angles C4'-P-C4' energy: -103.841 flat angles P-C4'-P energy: -47.924 tors. eta vs tors. theta energy: -138.396 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: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1352.879688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.879688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.879688 (E_RNA) where: Base-Base interactions energy: -929.939 where: short stacking energy: -401.036 Base-Backbone interact. energy: -1.850 local terms energy: -421.090998 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -91.778 flat angles C4'-P-C4' energy: -81.016 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -105.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1254.467074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.467074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.467074 (E_RNA) where: Base-Base interactions energy: -854.471 where: short stacking energy: -344.129 Base-Backbone interact. energy: -1.997 local terms energy: -397.999178 where: bonds (distance) C4'-P energy: -86.168 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -55.664 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: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -897.980530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.980530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.980530 (E_RNA) where: Base-Base interactions energy: -585.383 where: short stacking energy: -271.579 Base-Backbone interact. energy: -0.046 local terms energy: -312.551789 where: bonds (distance) C4'-P energy: -75.029 bonds (distance) P-C4' energy: -72.328 flat angles C4'-P-C4' energy: -83.715 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -39.521 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: 340 Temperature: 1.300000 Total energy: -862.327847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.327847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.327847 (E_RNA) where: Base-Base interactions energy: -557.806 where: short stacking energy: -265.962 Base-Backbone interact. energy: 2.245 local terms energy: -306.766797 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -97.770 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -35.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -722.655050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.655050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.655050 (E_RNA) where: Base-Base interactions energy: -435.847 where: short stacking energy: -202.123 Base-Backbone interact. energy: 0.889 local terms energy: -287.696929 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -74.777 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -19.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1829.930615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.930615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.930615 (E_RNA) where: Base-Base interactions energy: -1297.788 where: short stacking energy: -536.366 Base-Backbone interact. energy: -6.478 local terms energy: -525.664570 where: bonds (distance) C4'-P energy: -92.081 bonds (distance) P-C4' energy: -93.570 flat angles C4'-P-C4' energy: -115.857 flat angles P-C4'-P energy: -71.593 tors. eta vs tors. theta energy: -152.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1758.285624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.285624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.285624 (E_RNA) where: Base-Base interactions energy: -1229.066 where: short stacking energy: -535.759 Base-Backbone interact. energy: -4.736 local terms energy: -524.483293 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -113.572 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -161.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1696.180572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.180572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.180572 (E_RNA) where: Base-Base interactions energy: -1163.304 where: short stacking energy: -525.963 Base-Backbone interact. energy: -0.384 local terms energy: -532.492640 where: bonds (distance) C4'-P energy: -97.331 bonds (distance) P-C4' energy: -97.262 flat angles C4'-P-C4' energy: -105.125 flat angles P-C4'-P energy: -71.382 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: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1579.751708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.751708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.751708 (E_RNA) where: Base-Base interactions energy: -1114.537 where: short stacking energy: -446.452 Base-Backbone interact. energy: -2.771 local terms energy: -462.443066 where: bonds (distance) C4'-P energy: -83.088 bonds (distance) P-C4' energy: -90.090 flat angles C4'-P-C4' energy: -91.590 flat angles P-C4'-P energy: -68.458 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: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1537.117465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.117465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.117465 (E_RNA) where: Base-Base interactions energy: -1059.338 where: short stacking energy: -437.479 Base-Backbone interact. energy: -0.654 local terms energy: -477.125690 where: bonds (distance) C4'-P energy: -88.847 bonds (distance) P-C4' energy: -87.376 flat angles C4'-P-C4' energy: -97.109 flat angles P-C4'-P energy: -68.114 tors. eta vs tors. theta energy: -135.680 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: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1281.370384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.370384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.370384 (E_RNA) where: Base-Base interactions energy: -879.811 where: short stacking energy: -363.107 Base-Backbone interact. energy: -0.237 local terms energy: -401.322394 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -83.561 flat angles C4'-P-C4' energy: -99.682 flat angles P-C4'-P energy: -52.005 tors. eta vs tors. theta energy: -81.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1242.104936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.104936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.104936 (E_RNA) where: Base-Base interactions energy: -846.413 where: short stacking energy: -370.019 Base-Backbone interact. energy: -1.602 local terms energy: -394.089522 where: bonds (distance) C4'-P energy: -68.974 bonds (distance) P-C4' energy: -83.194 flat angles C4'-P-C4' energy: -81.319 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -94.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -898.758704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.758704 (E_RNA) where: Base-Base interactions energy: -566.981 where: short stacking energy: -266.823 Base-Backbone interact. energy: -1.005 local terms energy: -330.772785 where: bonds (distance) C4'-P energy: -84.817 bonds (distance) P-C4' energy: -81.432 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -42.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -863.530498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.530498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.530498 (E_RNA) where: Base-Base interactions energy: -526.142 where: short stacking energy: -250.395 Base-Backbone interact. energy: -1.186 local terms energy: -336.203185 where: bonds (distance) C4'-P energy: -80.373 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -77.379 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -45.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -737.983193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.983193 (E_RNA) where: Base-Base interactions energy: -433.163 where: short stacking energy: -200.394 Base-Backbone interact. energy: 2.433 local terms energy: -307.253315 where: bonds (distance) C4'-P energy: -81.014 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -3.895 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: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1851.402075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.402075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.402075 (E_RNA) where: Base-Base interactions energy: -1317.948 where: short stacking energy: -539.626 Base-Backbone interact. energy: -4.179 local terms energy: -529.275106 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -99.691 flat angles C4'-P-C4' energy: -116.678 flat angles P-C4'-P energy: -71.174 tors. eta vs tors. theta energy: -149.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1733.629003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.629003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.629003 (E_RNA) where: Base-Base interactions energy: -1204.099 where: short stacking energy: -532.554 Base-Backbone interact. energy: -2.555 local terms energy: -526.975395 where: bonds (distance) C4'-P energy: -92.301 bonds (distance) P-C4' energy: -94.824 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -80.285 tors. eta vs tors. theta energy: -151.600 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: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1686.688594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.688594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.688594 (E_RNA) where: Base-Base interactions energy: -1178.032 where: short stacking energy: -504.203 Base-Backbone interact. energy: -0.459 local terms energy: -508.197186 where: bonds (distance) C4'-P energy: -83.992 bonds (distance) P-C4' energy: -102.243 flat angles C4'-P-C4' energy: -102.067 flat angles P-C4'-P energy: -64.731 tors. eta vs tors. theta energy: -155.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1570.175433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.175433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.175433 (E_RNA) where: Base-Base interactions energy: -1110.384 where: short stacking energy: -434.054 Base-Backbone interact. energy: 1.109 local terms energy: -460.900347 where: bonds (distance) C4'-P energy: -91.978 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -101.264 flat angles P-C4'-P energy: -62.543 tors. eta vs tors. theta energy: -118.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1534.577336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.577336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.577336 (E_RNA) where: Base-Base interactions energy: -1077.762 where: short stacking energy: -449.286 Base-Backbone interact. energy: -1.546 local terms energy: -455.268526 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -88.621 flat angles C4'-P-C4' energy: -101.358 flat angles P-C4'-P energy: -59.555 tors. eta vs tors. theta energy: -122.067 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: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1285.897719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.897719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.897719 (E_RNA) where: Base-Base interactions energy: -864.989 where: short stacking energy: -370.213 Base-Backbone interact. energy: -2.885 local terms energy: -418.023851 where: bonds (distance) C4'-P energy: -91.333 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -93.884 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: -91.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1231.862087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.862087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.862087 (E_RNA) where: Base-Base interactions energy: -827.915 where: short stacking energy: -359.717 Base-Backbone interact. energy: 0.167 local terms energy: -404.113462 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -85.415 flat angles C4'-P-C4' energy: -103.133 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -84.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -918.982806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.982806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.982806 (E_RNA) where: Base-Base interactions energy: -588.532 where: short stacking energy: -283.256 Base-Backbone interact. energy: 2.740 local terms energy: -333.191076 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -72.949 flat angles C4'-P-C4' energy: -76.712 flat angles P-C4'-P energy: -46.497 tors. eta vs tors. theta energy: -45.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -915.084574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.084574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.084574 (E_RNA) where: Base-Base interactions energy: -564.680 where: short stacking energy: -256.200 Base-Backbone interact. energy: -3.299 local terms energy: -347.105167 where: bonds (distance) C4'-P energy: -75.915 bonds (distance) P-C4' energy: -81.584 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -61.235 tors. eta vs tors. theta energy: -41.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -798.867870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.867870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.867870 (E_RNA) where: Base-Base interactions energy: -503.076 where: short stacking energy: -258.914 Base-Backbone interact. energy: 0.695 local terms energy: -296.487236 where: bonds (distance) C4'-P energy: -54.891 bonds (distance) P-C4' energy: -78.620 flat angles C4'-P-C4' energy: -81.033 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -39.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1839.285976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.285976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.285976 (E_RNA) where: Base-Base interactions energy: -1309.476 where: short stacking energy: -535.469 Base-Backbone interact. energy: -3.583 local terms energy: -526.226882 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -95.093 flat angles C4'-P-C4' energy: -114.011 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -155.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1732.272582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.272582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.272582 (E_RNA) where: Base-Base interactions energy: -1200.456 where: short stacking energy: -522.576 Base-Backbone interact. energy: -3.138 local terms energy: -528.678854 where: bonds (distance) C4'-P energy: -96.248 bonds (distance) P-C4' energy: -88.758 flat angles C4'-P-C4' energy: -108.697 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -158.782 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: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1669.013548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.013548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.013548 (E_RNA) where: Base-Base interactions energy: -1168.913 where: short stacking energy: -519.743 Base-Backbone interact. energy: 0.442 local terms energy: -500.541874 where: bonds (distance) C4'-P energy: -85.396 bonds (distance) P-C4' energy: -87.926 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -68.602 tors. eta vs tors. theta energy: -150.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1589.915947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.915947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.915947 (E_RNA) where: Base-Base interactions energy: -1120.639 where: short stacking energy: -454.919 Base-Backbone interact. energy: 0.981 local terms energy: -470.258840 where: bonds (distance) C4'-P energy: -90.765 bonds (distance) P-C4' energy: -89.113 flat angles C4'-P-C4' energy: -99.284 flat angles P-C4'-P energy: -68.136 tors. eta vs tors. theta energy: -122.961 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: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1542.073495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.073495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.073495 (E_RNA) where: Base-Base interactions energy: -1064.699 where: short stacking energy: -438.222 Base-Backbone interact. energy: -4.334 local terms energy: -473.040862 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -79.636 flat angles C4'-P-C4' energy: -108.476 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1287.645241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.645241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.645241 (E_RNA) where: Base-Base interactions energy: -872.800 where: short stacking energy: -385.877 Base-Backbone interact. energy: -1.279 local terms energy: -413.565829 where: bonds (distance) C4'-P energy: -66.809 bonds (distance) P-C4' energy: -87.401 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -64.504 tors. eta vs tors. theta energy: -95.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1228.723999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.723999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.723999 (E_RNA) where: Base-Base interactions energy: -812.576 where: short stacking energy: -346.248 Base-Backbone interact. energy: -0.420 local terms energy: -415.727810 where: bonds (distance) C4'-P energy: -99.373 bonds (distance) P-C4' energy: -95.218 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -39.029 tors. eta vs tors. theta energy: -91.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -967.249406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.249406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.249406 (E_RNA) where: Base-Base interactions energy: -588.089 where: short stacking energy: -291.336 Base-Backbone interact. energy: -1.319 local terms energy: -377.841511 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -85.903 flat angles C4'-P-C4' energy: -86.370 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -68.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -877.028763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.028763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.028763 (E_RNA) where: Base-Base interactions energy: -523.291 where: short stacking energy: -244.909 Base-Backbone interact. energy: -4.973 local terms energy: -348.765646 where: bonds (distance) C4'-P energy: -75.356 bonds (distance) P-C4' energy: -89.897 flat angles C4'-P-C4' energy: -83.672 flat angles P-C4'-P energy: -51.852 tors. eta vs tors. theta energy: -47.989 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: 5 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -801.421756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.421756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.421756 (E_RNA) where: Base-Base interactions energy: -488.401 where: short stacking energy: -232.315 Base-Backbone interact. energy: -0.625 local terms energy: -312.395808 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -87.799 flat angles C4'-P-C4' energy: -78.956 flat angles P-C4'-P energy: -53.030 tors. eta vs tors. theta energy: -37.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1810.449408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.449408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.449408 (E_RNA) where: Base-Base interactions energy: -1291.816 where: short stacking energy: -539.041 Base-Backbone interact. energy: -0.422 local terms energy: -518.211159 where: bonds (distance) C4'-P energy: -94.626 bonds (distance) P-C4' energy: -84.408 flat angles C4'-P-C4' energy: -110.032 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -147.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1725.014699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.014699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.014699 (E_RNA) where: Base-Base interactions energy: -1175.042 where: short stacking energy: -509.960 Base-Backbone interact. energy: -3.364 local terms energy: -546.608287 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -95.837 flat angles C4'-P-C4' energy: -112.621 flat angles P-C4'-P energy: -77.059 tors. eta vs tors. theta energy: -153.773 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: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1670.670218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.670218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.670218 (E_RNA) where: Base-Base interactions energy: -1142.915 where: short stacking energy: -496.883 Base-Backbone interact. energy: -2.962 local terms energy: -524.793517 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -110.020 flat angles P-C4'-P energy: -63.344 tors. eta vs tors. theta energy: -150.707 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: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1616.849081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.849081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.849081 (E_RNA) where: Base-Base interactions energy: -1116.884 where: short stacking energy: -473.465 Base-Backbone interact. energy: -0.078 local terms energy: -499.887194 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -96.377 flat angles C4'-P-C4' energy: -104.281 flat angles P-C4'-P energy: -66.968 tors. eta vs tors. theta energy: -136.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1531.232165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.232165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.232165 (E_RNA) where: Base-Base interactions energy: -1073.640 where: short stacking energy: -432.146 Base-Backbone interact. energy: -2.020 local terms energy: -455.572532 where: bonds (distance) C4'-P energy: -82.532 bonds (distance) P-C4' energy: -95.009 flat angles C4'-P-C4' energy: -93.422 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -128.052 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: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1259.234623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.234623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.234623 (E_RNA) where: Base-Base interactions energy: -845.338 where: short stacking energy: -354.786 Base-Backbone interact. energy: 0.093 local terms energy: -413.989160 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -92.695 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -80.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1210.460045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.460045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.460045 (E_RNA) where: Base-Base interactions energy: -844.762 where: short stacking energy: -361.151 Base-Backbone interact. energy: 1.054 local terms energy: -366.751818 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -89.067 flat angles C4'-P-C4' energy: -85.338 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: -77.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -947.134912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.134912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.134912 (E_RNA) where: Base-Base interactions energy: -593.842 where: short stacking energy: -298.665 Base-Backbone interact. energy: 0.238 local terms energy: -353.530388 where: bonds (distance) C4'-P energy: -82.759 bonds (distance) P-C4' energy: -85.737 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -56.182 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: 344 Temperature: 1.300000 Total energy: -836.185729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.185729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.185729 (E_RNA) where: Base-Base interactions energy: -509.061 where: short stacking energy: -245.878 Base-Backbone interact. energy: -1.687 local terms energy: -325.437656 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -88.080 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -39.273 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: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -810.308054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.308054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.308054 (E_RNA) where: Base-Base interactions energy: -465.376 where: short stacking energy: -212.394 Base-Backbone interact. energy: 0.059 local terms energy: -344.991316 where: bonds (distance) C4'-P energy: -82.534 bonds (distance) P-C4' energy: -100.610 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -38.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1821.421823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.421823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.421823 (E_RNA) where: Base-Base interactions energy: -1306.773 where: short stacking energy: -529.254 Base-Backbone interact. energy: 3.745 local terms energy: -518.393516 where: bonds (distance) C4'-P energy: -101.562 bonds (distance) P-C4' energy: -84.354 flat angles C4'-P-C4' energy: -108.454 flat angles P-C4'-P energy: -72.705 tors. eta vs tors. theta energy: -151.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1711.965460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.965460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.965460 (E_RNA) where: Base-Base interactions energy: -1161.448 where: short stacking energy: -481.603 Base-Backbone interact. energy: -3.861 local terms energy: -546.656938 where: bonds (distance) C4'-P energy: -101.588 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -113.357 flat angles P-C4'-P energy: -70.554 tors. eta vs tors. theta energy: -152.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1672.071087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.071087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.071087 (E_RNA) where: Base-Base interactions energy: -1150.024 where: short stacking energy: -503.099 Base-Backbone interact. energy: -1.148 local terms energy: -520.899313 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -103.595 flat angles C4'-P-C4' energy: -103.408 flat angles P-C4'-P energy: -76.017 tors. eta vs tors. theta energy: -148.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1589.613854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.613854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.613854 (E_RNA) where: Base-Base interactions energy: -1137.064 where: short stacking energy: -466.281 Base-Backbone interact. energy: -1.656 local terms energy: -450.894414 where: bonds (distance) C4'-P energy: -96.170 bonds (distance) P-C4' energy: -79.645 flat angles C4'-P-C4' energy: -83.744 flat angles P-C4'-P energy: -60.227 tors. eta vs tors. theta energy: -131.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1551.439311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.439311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.439311 (E_RNA) where: Base-Base interactions energy: -1086.805 where: short stacking energy: -457.481 Base-Backbone interact. energy: -1.505 local terms energy: -463.128552 where: bonds (distance) C4'-P energy: -83.349 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -109.944 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: -121.576 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1296.819823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.819823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.819823 (E_RNA) where: Base-Base interactions energy: -890.924 where: short stacking energy: -369.206 Base-Backbone interact. energy: -2.011 local terms energy: -403.885717 where: bonds (distance) C4'-P energy: -82.858 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -89.169 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -91.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1226.199250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.199250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.199250 (E_RNA) where: Base-Base interactions energy: -828.817 where: short stacking energy: -360.794 Base-Backbone interact. energy: 0.540 local terms energy: -397.922295 where: bonds (distance) C4'-P energy: -84.762 bonds (distance) P-C4' energy: -92.731 flat angles C4'-P-C4' energy: -82.984 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -82.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -893.723903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.723903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.723903 (E_RNA) where: Base-Base interactions energy: -583.256 where: short stacking energy: -268.618 Base-Backbone interact. energy: 10.360 local terms energy: -320.828379 where: bonds (distance) C4'-P energy: -94.695 bonds (distance) P-C4' energy: -81.409 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -40.309 tors. eta vs tors. theta energy: -30.242 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: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -827.487828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.487828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.487828 (E_RNA) where: Base-Base interactions energy: -510.393 where: short stacking energy: -216.362 Base-Backbone interact. energy: -0.975 local terms energy: -316.118890 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -93.095 flat angles C4'-P-C4' energy: -79.967 flat angles P-C4'-P energy: -48.711 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: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -799.108277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.108277 (E_RNA) where: Base-Base interactions energy: -483.770 where: short stacking energy: -219.336 Base-Backbone interact. energy: 0.814 local terms energy: -316.153162 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -80.791 flat angles C4'-P-C4' energy: -77.195 flat angles P-C4'-P energy: -50.518 tors. eta vs tors. theta energy: -31.993 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: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1817.730545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.730545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.730545 (E_RNA) where: Base-Base interactions energy: -1288.180 where: short stacking energy: -516.032 Base-Backbone interact. energy: -3.906 local terms energy: -525.644043 where: bonds (distance) C4'-P energy: -94.416 bonds (distance) P-C4' energy: -101.351 flat angles C4'-P-C4' energy: -109.770 flat angles P-C4'-P energy: -75.427 tors. eta vs tors. theta energy: -144.679 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1730.583425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.583425 (E_RNA) where: Base-Base interactions energy: -1200.899 where: short stacking energy: -508.181 Base-Backbone interact. energy: 0.276 local terms energy: -529.960444 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -94.395 flat angles C4'-P-C4' energy: -115.985 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -157.770 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: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1657.368050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.368050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.368050 (E_RNA) where: Base-Base interactions energy: -1137.913 where: short stacking energy: -506.315 Base-Backbone interact. energy: -1.755 local terms energy: -517.700138 where: bonds (distance) C4'-P energy: -91.687 bonds (distance) P-C4' energy: -101.321 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -153.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1596.343194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.343194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.343194 (E_RNA) where: Base-Base interactions energy: -1131.877 where: short stacking energy: -459.952 Base-Backbone interact. energy: 0.161 local terms energy: -464.627403 where: bonds (distance) C4'-P energy: -103.087 bonds (distance) P-C4' energy: -81.015 flat angles C4'-P-C4' energy: -98.271 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -123.342 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: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1533.249761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.249761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.249761 (E_RNA) where: Base-Base interactions energy: -1052.525 where: short stacking energy: -455.440 Base-Backbone interact. energy: -3.741 local terms energy: -476.983801 where: bonds (distance) C4'-P energy: -75.321 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -113.841 flat angles P-C4'-P energy: -72.123 tors. eta vs tors. theta energy: -130.485 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: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1306.698109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.698109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.698109 (E_RNA) where: Base-Base interactions energy: -890.863 where: short stacking energy: -386.965 Base-Backbone interact. energy: -0.097 local terms energy: -415.737990 where: bonds (distance) C4'-P energy: -86.050 bonds (distance) P-C4' energy: -88.491 flat angles C4'-P-C4' energy: -88.027 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -101.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1237.067289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.067289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.067289 (E_RNA) where: Base-Base interactions energy: -850.073 where: short stacking energy: -357.276 Base-Backbone interact. energy: -1.205 local terms energy: -385.788882 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -86.235 flat angles C4'-P-C4' energy: -84.621 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -963.686300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.686300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.686300 (E_RNA) where: Base-Base interactions energy: -622.149 where: short stacking energy: -293.758 Base-Backbone interact. energy: 2.636 local terms energy: -344.173716 where: bonds (distance) C4'-P energy: -58.634 bonds (distance) P-C4' energy: -84.158 flat angles C4'-P-C4' energy: -96.420 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -54.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -837.059763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.059763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.059763 (E_RNA) where: Base-Base interactions energy: -515.603 where: short stacking energy: -253.439 Base-Backbone interact. energy: -2.256 local terms energy: -319.200897 where: bonds (distance) C4'-P energy: -71.237 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -79.100 flat angles P-C4'-P energy: -50.648 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: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -788.391805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.391805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.391805 (E_RNA) where: Base-Base interactions energy: -472.010 where: short stacking energy: -221.710 Base-Backbone interact. energy: 0.873 local terms energy: -317.255277 where: bonds (distance) C4'-P energy: -64.153 bonds (distance) P-C4' energy: -82.211 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -45.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1831.398213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.398213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.398213 (E_RNA) where: Base-Base interactions energy: -1326.730 where: short stacking energy: -534.061 Base-Backbone interact. energy: -3.268 local terms energy: -501.400262 where: bonds (distance) C4'-P energy: -95.632 bonds (distance) P-C4' energy: -79.003 flat angles C4'-P-C4' energy: -107.734 flat angles P-C4'-P energy: -74.815 tors. eta vs tors. theta energy: -144.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1760.303435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.303435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.303435 (E_RNA) where: Base-Base interactions energy: -1245.181 where: short stacking energy: -543.569 Base-Backbone interact. energy: -1.911 local terms energy: -513.211016 where: bonds (distance) C4'-P energy: -97.186 bonds (distance) P-C4' energy: -80.949 flat angles C4'-P-C4' energy: -104.027 flat angles P-C4'-P energy: -73.552 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: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1684.578707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.578707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.578707 (E_RNA) where: Base-Base interactions energy: -1157.832 where: short stacking energy: -518.047 Base-Backbone interact. energy: -5.116 local terms energy: -521.630196 where: bonds (distance) C4'-P energy: -92.576 bonds (distance) P-C4' energy: -95.184 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -78.179 tors. eta vs tors. theta energy: -157.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1650.596914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.596914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.596914 (E_RNA) where: Base-Base interactions energy: -1155.178 where: short stacking energy: -473.231 Base-Backbone interact. energy: -3.602 local terms energy: -491.816842 where: bonds (distance) C4'-P energy: -92.798 bonds (distance) P-C4' energy: -96.540 flat angles C4'-P-C4' energy: -110.914 flat angles P-C4'-P energy: -68.988 tors. eta vs tors. theta energy: -122.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1560.780813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.780813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.780813 (E_RNA) where: Base-Base interactions energy: -1106.543 where: short stacking energy: -460.037 Base-Backbone interact. energy: -3.427 local terms energy: -450.810552 where: bonds (distance) C4'-P energy: -87.064 bonds (distance) P-C4' energy: -74.258 flat angles C4'-P-C4' energy: -96.860 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: -131.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1303.249253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.249253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.249253 (E_RNA) where: Base-Base interactions energy: -877.349 where: short stacking energy: -377.092 Base-Backbone interact. energy: 3.074 local terms energy: -428.974332 where: bonds (distance) C4'-P energy: -86.023 bonds (distance) P-C4' energy: -90.106 flat angles C4'-P-C4' energy: -99.891 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -96.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1238.927731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.927731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.927731 (E_RNA) where: Base-Base interactions energy: -848.571 where: short stacking energy: -362.760 Base-Backbone interact. energy: -2.322 local terms energy: -388.035227 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -92.874 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -55.668 tors. eta vs tors. theta energy: -78.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -947.261279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.261279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.261279 (E_RNA) where: Base-Base interactions energy: -578.038 where: short stacking energy: -260.826 Base-Backbone interact. energy: -0.993 local terms energy: -368.229941 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -85.612 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -54.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -806.209069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.209069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.209069 (E_RNA) where: Base-Base interactions energy: -499.510 where: short stacking energy: -225.520 Base-Backbone interact. energy: 2.975 local terms energy: -309.674332 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -84.736 flat angles C4'-P-C4' energy: -76.981 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -24.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -741.732622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.732622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.732622 (E_RNA) where: Base-Base interactions energy: -456.813 where: short stacking energy: -231.861 Base-Backbone interact. energy: -2.908 local terms energy: -282.011571 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -60.758 tors. eta vs tors. theta energy: -24.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1840.501467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.501467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.501467 (E_RNA) where: Base-Base interactions energy: -1304.206 where: short stacking energy: -536.029 Base-Backbone interact. energy: -4.256 local terms energy: -532.038947 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -104.507 flat angles C4'-P-C4' energy: -108.663 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -154.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1744.932659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.932659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.932659 (E_RNA) where: Base-Base interactions energy: -1207.144 where: short stacking energy: -536.653 Base-Backbone interact. energy: -0.515 local terms energy: -537.273934 where: bonds (distance) C4'-P energy: -99.926 bonds (distance) P-C4' energy: -98.398 flat angles C4'-P-C4' energy: -102.671 flat angles P-C4'-P energy: -73.239 tors. eta vs tors. theta energy: -163.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1695.444785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.444785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.444785 (E_RNA) where: Base-Base interactions energy: -1154.959 where: short stacking energy: -520.297 Base-Backbone interact. energy: -4.149 local terms energy: -536.336758 where: bonds (distance) C4'-P energy: -105.360 bonds (distance) P-C4' energy: -98.992 flat angles C4'-P-C4' energy: -106.871 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -147.620 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: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1616.671868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.671868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.671868 (E_RNA) where: Base-Base interactions energy: -1143.072 where: short stacking energy: -480.110 Base-Backbone interact. energy: -2.777 local terms energy: -470.821983 where: bonds (distance) C4'-P energy: -62.976 bonds (distance) P-C4' energy: -85.551 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -84.524 tors. eta vs tors. theta energy: -129.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1577.629922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.629922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.629922 (E_RNA) where: Base-Base interactions energy: -1118.467 where: short stacking energy: -464.915 Base-Backbone interact. energy: -2.780 local terms energy: -456.382857 where: bonds (distance) C4'-P energy: -99.931 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -87.639 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -122.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1364.745012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.745012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.745012 (E_RNA) where: Base-Base interactions energy: -910.973 where: short stacking energy: -406.924 Base-Backbone interact. energy: -1.345 local terms energy: -452.427502 where: bonds (distance) C4'-P energy: -76.168 bonds (distance) P-C4' energy: -92.545 flat angles C4'-P-C4' energy: -104.737 flat angles P-C4'-P energy: -65.201 tors. eta vs tors. theta energy: -113.776 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: 348 Temperature: 1.200000 Total energy: -1237.621097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.621097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.621097 (E_RNA) where: Base-Base interactions energy: -840.253 where: short stacking energy: -346.061 Base-Backbone interact. energy: -2.038 local terms energy: -395.329867 where: bonds (distance) C4'-P energy: -74.667 bonds (distance) P-C4' energy: -84.242 flat angles C4'-P-C4' energy: -91.820 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -78.979 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: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -932.756158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.756158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.756158 (E_RNA) where: Base-Base interactions energy: -580.487 where: short stacking energy: -288.854 Base-Backbone interact. energy: -1.560 local terms energy: -350.709316 where: bonds (distance) C4'-P energy: -82.221 bonds (distance) P-C4' energy: -80.841 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -54.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -832.021969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.021969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.021969 (E_RNA) where: Base-Base interactions energy: -543.157 where: short stacking energy: -242.013 Base-Backbone interact. energy: -1.489 local terms energy: -287.375928 where: bonds (distance) C4'-P energy: -85.591 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -18.636 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: 348 Temperature: 1.350000 Total energy: -644.627878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.627878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.627878 (E_RNA) where: Base-Base interactions energy: -366.626 where: short stacking energy: -159.565 Base-Backbone interact. energy: 0.305 local terms energy: -278.307040 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -80.574 flat angles C4'-P-C4' energy: -74.608 flat angles P-C4'-P energy: -34.474 tors. eta vs tors. theta energy: 1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1832.252311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.252311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.252311 (E_RNA) where: Base-Base interactions energy: -1288.334 where: short stacking energy: -519.366 Base-Backbone interact. energy: -2.404 local terms energy: -541.515044 where: bonds (distance) C4'-P energy: -100.796 bonds (distance) P-C4' energy: -96.864 flat angles C4'-P-C4' energy: -116.833 flat angles P-C4'-P energy: -79.029 tors. eta vs tors. theta energy: -147.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1744.703889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.703889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.703889 (E_RNA) where: Base-Base interactions energy: -1199.295 where: short stacking energy: -531.169 Base-Backbone interact. energy: -0.442 local terms energy: -544.967063 where: bonds (distance) C4'-P energy: -94.815 bonds (distance) P-C4' energy: -106.719 flat angles C4'-P-C4' energy: -115.846 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -155.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1640.287618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.287618 (E_RNA) where: Base-Base interactions energy: -1119.013 where: short stacking energy: -486.535 Base-Backbone interact. energy: -3.875 local terms energy: -517.400022 where: bonds (distance) C4'-P energy: -95.660 bonds (distance) P-C4' energy: -94.839 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -66.762 tors. eta vs tors. theta energy: -151.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1610.144196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.144196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.144196 (E_RNA) where: Base-Base interactions energy: -1145.544 where: short stacking energy: -462.667 Base-Backbone interact. energy: -3.178 local terms energy: -461.422154 where: bonds (distance) C4'-P energy: -86.272 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -99.516 flat angles P-C4'-P energy: -53.092 tors. eta vs tors. theta energy: -128.151 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: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1555.729598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.729598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.729598 (E_RNA) where: Base-Base interactions energy: -1091.373 where: short stacking energy: -444.369 Base-Backbone interact. energy: -2.277 local terms energy: -462.079229 where: bonds (distance) C4'-P energy: -81.507 bonds (distance) P-C4' energy: -95.431 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -73.083 tors. eta vs tors. theta energy: -114.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1367.317877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.317877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.317877 (E_RNA) where: Base-Base interactions energy: -927.092 where: short stacking energy: -412.571 Base-Backbone interact. energy: 0.119 local terms energy: -440.344611 where: bonds (distance) C4'-P energy: -90.543 bonds (distance) P-C4' energy: -86.843 flat angles C4'-P-C4' energy: -88.738 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -112.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1227.774952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.774952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.774952 (E_RNA) where: Base-Base interactions energy: -827.708 where: short stacking energy: -338.527 Base-Backbone interact. energy: 3.721 local terms energy: -403.787503 where: bonds (distance) C4'-P energy: -86.203 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -54.926 tors. eta vs tors. theta energy: -84.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -941.670887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.670887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.670887 (E_RNA) where: Base-Base interactions energy: -583.926 where: short stacking energy: -265.029 Base-Backbone interact. energy: -0.476 local terms energy: -357.268845 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -99.178 flat angles C4'-P-C4' energy: -85.829 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -54.070 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: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -876.480444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.480444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.480444 (E_RNA) where: Base-Base interactions energy: -520.837 where: short stacking energy: -243.440 Base-Backbone interact. energy: -0.219 local terms energy: -355.424445 where: bonds (distance) C4'-P energy: -76.591 bonds (distance) P-C4' energy: -87.943 flat angles C4'-P-C4' energy: -90.321 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -41.878 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: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -699.364942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.364942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.364942 (E_RNA) where: Base-Base interactions energy: -386.076 where: short stacking energy: -209.462 Base-Backbone interact. energy: 2.202 local terms energy: -315.490566 where: bonds (distance) C4'-P energy: -81.573 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -81.732 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -21.847 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: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1842.800128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.800128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.800128 (E_RNA) where: Base-Base interactions energy: -1296.034 where: short stacking energy: -532.329 Base-Backbone interact. energy: -5.367 local terms energy: -541.399613 where: bonds (distance) C4'-P energy: -102.200 bonds (distance) P-C4' energy: -93.680 flat angles C4'-P-C4' energy: -115.381 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -152.065 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: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1727.585888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.585888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.585888 (E_RNA) where: Base-Base interactions energy: -1199.340 where: short stacking energy: -521.412 Base-Backbone interact. energy: 0.995 local terms energy: -529.241076 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -109.405 flat angles P-C4'-P energy: -74.224 tors. eta vs tors. theta energy: -158.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1667.958978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.958978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.958978 (E_RNA) where: Base-Base interactions energy: -1157.256 where: short stacking energy: -519.240 Base-Backbone interact. energy: -1.798 local terms energy: -508.904671 where: bonds (distance) C4'-P energy: -90.296 bonds (distance) P-C4' energy: -82.717 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -70.853 tors. eta vs tors. theta energy: -154.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1610.365390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.365390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.365390 (E_RNA) where: Base-Base interactions energy: -1126.522 where: short stacking energy: -463.568 Base-Backbone interact. energy: -0.079 local terms energy: -483.764136 where: bonds (distance) C4'-P energy: -89.049 bonds (distance) P-C4' energy: -85.199 flat angles C4'-P-C4' energy: -99.870 flat angles P-C4'-P energy: -74.132 tors. eta vs tors. theta energy: -135.514 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: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1559.459347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.459347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.459347 (E_RNA) where: Base-Base interactions energy: -1113.601 where: short stacking energy: -447.587 Base-Backbone interact. energy: -1.444 local terms energy: -444.415219 where: bonds (distance) C4'-P energy: -82.783 bonds (distance) P-C4' energy: -86.994 flat angles C4'-P-C4' energy: -93.386 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -116.638 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: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1327.412145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.412145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.412145 (E_RNA) where: Base-Base interactions energy: -894.965 where: short stacking energy: -376.176 Base-Backbone interact. energy: -1.908 local terms energy: -430.539601 where: bonds (distance) C4'-P energy: -87.109 bonds (distance) P-C4' energy: -95.734 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -60.505 tors. eta vs tors. theta energy: -90.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1220.365907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.365907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.365907 (E_RNA) where: Base-Base interactions energy: -801.085 where: short stacking energy: -336.713 Base-Backbone interact. energy: 3.196 local terms energy: -422.476379 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -94.732 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -74.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -930.648679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.648679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.648679 (E_RNA) where: Base-Base interactions energy: -597.446 where: short stacking energy: -307.997 Base-Backbone interact. energy: -2.691 local terms energy: -330.511585 where: bonds (distance) C4'-P energy: -82.522 bonds (distance) P-C4' energy: -77.463 flat angles C4'-P-C4' energy: -77.906 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -52.908 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: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -862.329445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.329445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.329445 (E_RNA) where: Base-Base interactions energy: -540.611 where: short stacking energy: -271.057 Base-Backbone interact. energy: -0.631 local terms energy: -321.086612 where: bonds (distance) C4'-P energy: -64.109 bonds (distance) P-C4' energy: -96.009 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -43.765 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: 350 Temperature: 1.350000 Total energy: -679.392259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.392259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.392259 (E_RNA) where: Base-Base interactions energy: -386.866 where: short stacking energy: -185.269 Base-Backbone interact. energy: 2.308 local terms energy: -294.834597 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -61.736 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1838.923824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.923824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.923824 (E_RNA) where: Base-Base interactions energy: -1311.198 where: short stacking energy: -535.202 Base-Backbone interact. energy: -4.620 local terms energy: -523.105876 where: bonds (distance) C4'-P energy: -95.601 bonds (distance) P-C4' energy: -105.477 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -75.163 tors. eta vs tors. theta energy: -140.066 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: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1717.225024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.225024 (E_RNA) where: Base-Base interactions energy: -1183.302 where: short stacking energy: -519.226 Base-Backbone interact. energy: -1.269 local terms energy: -532.654678 where: bonds (distance) C4'-P energy: -96.234 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -75.024 tors. eta vs tors. theta energy: -155.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1674.281830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.281830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.281830 (E_RNA) where: Base-Base interactions energy: -1151.598 where: short stacking energy: -509.933 Base-Backbone interact. energy: -1.953 local terms energy: -520.731388 where: bonds (distance) C4'-P energy: -90.684 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -110.827 flat angles P-C4'-P energy: -64.648 tors. eta vs tors. theta energy: -150.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1648.227499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.227499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.227499 (E_RNA) where: Base-Base interactions energy: -1187.306 where: short stacking energy: -494.051 Base-Backbone interact. energy: -0.789 local terms energy: -460.132212 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -82.992 flat angles C4'-P-C4' energy: -100.525 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -133.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1586.157565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.157565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.157565 (E_RNA) where: Base-Base interactions energy: -1105.943 where: short stacking energy: -443.626 Base-Backbone interact. energy: -4.461 local terms energy: -475.754300 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -95.814 flat angles C4'-P-C4' energy: -102.636 flat angles P-C4'-P energy: -78.758 tors. eta vs tors. theta energy: -119.953 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: 351 Temperature: 1.150000 Total energy: -1326.483638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.483638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.483638 (E_RNA) where: Base-Base interactions energy: -908.184 where: short stacking energy: -388.072 Base-Backbone interact. energy: 0.305 local terms energy: -418.605016 where: bonds (distance) C4'-P energy: -73.210 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -93.310 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -95.855 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: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1267.716914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.716914 (E_RNA) where: Base-Base interactions energy: -861.489 where: short stacking energy: -362.590 Base-Backbone interact. energy: -0.813 local terms energy: -405.414343 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -92.838 flat angles C4'-P-C4' energy: -82.652 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -83.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -874.115716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.115716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.115716 (E_RNA) where: Base-Base interactions energy: -553.886 where: short stacking energy: -273.682 Base-Backbone interact. energy: -1.089 local terms energy: -319.141403 where: bonds (distance) C4'-P energy: -79.123 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -37.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -858.923394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.923394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.923394 (E_RNA) where: Base-Base interactions energy: -544.017 where: short stacking energy: -264.019 Base-Backbone interact. energy: -1.201 local terms energy: -313.706141 where: bonds (distance) C4'-P energy: -69.954 bonds (distance) P-C4' energy: -63.677 flat angles C4'-P-C4' energy: -68.897 flat angles P-C4'-P energy: -59.252 tors. eta vs tors. theta energy: -51.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -614.818354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.818354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.818354 (E_RNA) where: Base-Base interactions energy: -350.952 where: short stacking energy: -181.832 Base-Backbone interact. energy: 1.097 local terms energy: -264.963601 where: bonds (distance) C4'-P energy: -68.536 bonds (distance) P-C4' energy: -72.476 flat angles C4'-P-C4' energy: -66.546 flat angles P-C4'-P energy: -48.776 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: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1835.351181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.351181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.351181 (E_RNA) where: Base-Base interactions energy: -1317.891 where: short stacking energy: -536.724 Base-Backbone interact. energy: 0.329 local terms energy: -517.789482 where: bonds (distance) C4'-P energy: -98.599 bonds (distance) P-C4' energy: -98.783 flat angles C4'-P-C4' energy: -105.839 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -145.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1737.419106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.419106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.419106 (E_RNA) where: Base-Base interactions energy: -1195.346 where: short stacking energy: -502.514 Base-Backbone interact. energy: -2.107 local terms energy: -539.966143 where: bonds (distance) C4'-P energy: -86.024 bonds (distance) P-C4' energy: -102.913 flat angles C4'-P-C4' energy: -115.997 flat angles P-C4'-P energy: -83.731 tors. eta vs tors. theta energy: -151.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1663.511221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.511221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.511221 (E_RNA) where: Base-Base interactions energy: -1153.868 where: short stacking energy: -511.085 Base-Backbone interact. energy: -0.403 local terms energy: -509.239719 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -99.896 flat angles C4'-P-C4' energy: -111.483 flat angles P-C4'-P energy: -80.088 tors. eta vs tors. theta energy: -142.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1654.828391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.828391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.828391 (E_RNA) where: Base-Base interactions energy: -1170.644 where: short stacking energy: -492.373 Base-Backbone interact. energy: -3.153 local terms energy: -481.031302 where: bonds (distance) C4'-P energy: -94.222 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -105.085 flat angles P-C4'-P energy: -60.815 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: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1580.279047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.279047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.279047 (E_RNA) where: Base-Base interactions energy: -1133.334 where: short stacking energy: -467.871 Base-Backbone interact. energy: -2.893 local terms energy: -444.051863 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -80.340 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -134.251 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: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1316.104544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.104544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.104544 (E_RNA) where: Base-Base interactions energy: -871.887 where: short stacking energy: -387.355 Base-Backbone interact. energy: -0.676 local terms energy: -443.542423 where: bonds (distance) C4'-P energy: -87.669 bonds (distance) P-C4' energy: -95.521 flat angles C4'-P-C4' energy: -104.787 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -97.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1215.840217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.840217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.840217 (E_RNA) where: Base-Base interactions energy: -827.496 where: short stacking energy: -356.613 Base-Backbone interact. energy: -2.811 local terms energy: -385.533379 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -88.498 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -93.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -920.543477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.543477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.543477 (E_RNA) where: Base-Base interactions energy: -580.467 where: short stacking energy: -277.142 Base-Backbone interact. energy: 0.159 local terms energy: -340.235891 where: bonds (distance) C4'-P energy: -87.622 bonds (distance) P-C4' energy: -77.498 flat angles C4'-P-C4' energy: -70.171 flat angles P-C4'-P energy: -50.468 tors. eta vs tors. theta energy: -54.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -855.335008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.335008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.335008 (E_RNA) where: Base-Base interactions energy: -536.441 where: short stacking energy: -255.451 Base-Backbone interact. energy: 0.522 local terms energy: -319.415664 where: bonds (distance) C4'-P energy: -83.832 bonds (distance) P-C4' energy: -78.476 flat angles C4'-P-C4' energy: -81.693 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -36.877 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: 352 Temperature: 1.350000 Total energy: -576.568461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.568461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.568461 (E_RNA) where: Base-Base interactions energy: -305.085 where: short stacking energy: -173.892 Base-Backbone interact. energy: 0.831 local terms energy: -272.314776 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -75.151 flat angles C4'-P-C4' energy: -82.791 flat angles P-C4'-P energy: -41.389 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1834.537615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.537615 (E_RNA) where: Base-Base interactions energy: -1286.816 where: short stacking energy: -538.888 Base-Backbone interact. energy: -1.636 local terms energy: -546.086359 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -92.051 flat angles C4'-P-C4' energy: -118.078 flat angles P-C4'-P energy: -75.261 tors. eta vs tors. theta energy: -154.983 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: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1725.531665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.531665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.531665 (E_RNA) where: Base-Base interactions energy: -1210.952 where: short stacking energy: -522.060 Base-Backbone interact. energy: -4.438 local terms energy: -510.141862 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -96.373 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -66.203 tors. eta vs tors. theta energy: -158.095 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: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1663.320174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.320174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.320174 (E_RNA) where: Base-Base interactions energy: -1148.876 where: short stacking energy: -521.145 Base-Backbone interact. energy: 0.743 local terms energy: -515.186615 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -105.299 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: -156.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1634.894362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.894362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.894362 (E_RNA) where: Base-Base interactions energy: -1151.500 where: short stacking energy: -477.711 Base-Backbone interact. energy: 0.418 local terms energy: -483.812529 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -102.002 flat angles P-C4'-P energy: -70.153 tors. eta vs tors. theta energy: -142.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1651.433037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.433037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.433037 (E_RNA) where: Base-Base interactions energy: -1171.474 where: short stacking energy: -457.504 Base-Backbone interact. energy: -4.594 local terms energy: -475.365238 where: bonds (distance) C4'-P energy: -89.124 bonds (distance) P-C4' energy: -86.848 flat angles C4'-P-C4' energy: -107.334 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -126.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1296.667222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.667222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.667222 (E_RNA) where: Base-Base interactions energy: -852.148 where: short stacking energy: -395.315 Base-Backbone interact. energy: 1.800 local terms energy: -446.318767 where: bonds (distance) C4'-P energy: -92.135 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -92.614 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -101.574 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: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1259.739150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.739150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.739150 (E_RNA) where: Base-Base interactions energy: -842.544 where: short stacking energy: -376.934 Base-Backbone interact. energy: 1.727 local terms energy: -418.922211 where: bonds (distance) C4'-P energy: -81.070 bonds (distance) P-C4' energy: -92.137 flat angles C4'-P-C4' energy: -90.652 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -95.441 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: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -918.242082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.242082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.242082 (E_RNA) where: Base-Base interactions energy: -564.152 where: short stacking energy: -276.774 Base-Backbone interact. energy: -0.334 local terms energy: -353.755976 where: bonds (distance) C4'-P energy: -84.144 bonds (distance) P-C4' energy: -92.105 flat angles C4'-P-C4' energy: -82.225 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: -54.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -820.009772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.009772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.009772 (E_RNA) where: Base-Base interactions energy: -487.795 where: short stacking energy: -240.156 Base-Backbone interact. energy: 1.400 local terms energy: -333.614857 where: bonds (distance) C4'-P energy: -91.178 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -75.487 flat angles P-C4'-P energy: -59.088 tors. eta vs tors. theta energy: -31.808 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: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -534.198172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.198172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.198172 (E_RNA) where: Base-Base interactions energy: -271.180 where: short stacking energy: -160.130 Base-Backbone interact. energy: -3.180 local terms energy: -259.838609 where: bonds (distance) C4'-P energy: -73.502 bonds (distance) P-C4' energy: -87.540 flat angles C4'-P-C4' energy: -73.905 flat angles P-C4'-P energy: -31.203 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: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1829.004057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.004057 (E_RNA) where: Base-Base interactions energy: -1289.072 where: short stacking energy: -537.096 Base-Backbone interact. energy: -1.133 local terms energy: -538.798813 where: bonds (distance) C4'-P energy: -96.017 bonds (distance) P-C4' energy: -107.440 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -70.719 tors. eta vs tors. theta energy: -158.889 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: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1724.909476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.909476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.909476 (E_RNA) where: Base-Base interactions energy: -1208.201 where: short stacking energy: -520.506 Base-Backbone interact. energy: -2.166 local terms energy: -514.542482 where: bonds (distance) C4'-P energy: -88.095 bonds (distance) P-C4' energy: -87.142 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -158.529 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: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1699.956068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.956068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.956068 (E_RNA) where: Base-Base interactions energy: -1163.510 where: short stacking energy: -503.650 Base-Backbone interact. energy: -2.943 local terms energy: -533.504000 where: bonds (distance) C4'-P energy: -105.722 bonds (distance) P-C4' energy: -101.778 flat angles C4'-P-C4' energy: -112.875 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: -147.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1637.031798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.031798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.031798 (E_RNA) where: Base-Base interactions energy: -1144.756 where: short stacking energy: -474.515 Base-Backbone interact. energy: -1.148 local terms energy: -491.128294 where: bonds (distance) C4'-P energy: -87.037 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -97.174 flat angles P-C4'-P energy: -83.175 tors. eta vs tors. theta energy: -139.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1559.856823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.856823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.856823 (E_RNA) where: Base-Base interactions energy: -1101.890 where: short stacking energy: -451.170 Base-Backbone interact. energy: -3.089 local terms energy: -454.878038 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -85.076 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -74.557 tors. eta vs tors. theta energy: -124.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1285.738809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.738809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.738809 (E_RNA) where: Base-Base interactions energy: -858.231 where: short stacking energy: -378.758 Base-Backbone interact. energy: -0.843 local terms energy: -426.665358 where: bonds (distance) C4'-P energy: -78.405 bonds (distance) P-C4' energy: -91.415 flat angles C4'-P-C4' energy: -101.063 flat angles P-C4'-P energy: -59.175 tors. eta vs tors. theta energy: -96.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1260.040924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.040924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.040924 (E_RNA) where: Base-Base interactions energy: -867.359 where: short stacking energy: -360.926 Base-Backbone interact. energy: -2.953 local terms energy: -389.728837 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -82.904 flat angles C4'-P-C4' energy: -101.862 flat angles P-C4'-P energy: -58.892 tors. eta vs tors. theta energy: -77.170 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -903.586361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.586361 (E_RNA) where: Base-Base interactions energy: -566.989 where: short stacking energy: -294.578 Base-Backbone interact. energy: -1.081 local terms energy: -335.516662 where: bonds (distance) C4'-P energy: -84.370 bonds (distance) P-C4' energy: -86.554 flat angles C4'-P-C4' energy: -72.798 flat angles P-C4'-P energy: -40.065 tors. eta vs tors. theta energy: -51.730 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: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -845.839291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.839291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.839291 (E_RNA) where: Base-Base interactions energy: -526.913 where: short stacking energy: -272.088 Base-Backbone interact. energy: 0.453 local terms energy: -319.379424 where: bonds (distance) C4'-P energy: -74.390 bonds (distance) P-C4' energy: -83.090 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -44.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -513.425682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.425682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.425682 (E_RNA) where: Base-Base interactions energy: -263.773 where: short stacking energy: -157.072 Base-Backbone interact. energy: 0.542 local terms energy: -250.194539 where: bonds (distance) C4'-P energy: -70.451 bonds (distance) P-C4' energy: -76.518 flat angles C4'-P-C4' energy: -70.614 flat angles P-C4'-P energy: -23.269 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1856.318761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.318761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.318761 (E_RNA) where: Base-Base interactions energy: -1306.521 where: short stacking energy: -516.455 Base-Backbone interact. energy: -2.704 local terms energy: -547.093637 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -94.896 flat angles C4'-P-C4' energy: -115.054 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -154.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1728.542849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.542849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.542849 (E_RNA) where: Base-Base interactions energy: -1196.382 where: short stacking energy: -535.395 Base-Backbone interact. energy: -1.193 local terms energy: -530.968517 where: bonds (distance) C4'-P energy: -95.216 bonds (distance) P-C4' energy: -92.526 flat angles C4'-P-C4' energy: -95.486 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -169.918 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: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1745.811483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.811483 (E_RNA) where: Base-Base interactions energy: -1207.534 where: short stacking energy: -528.771 Base-Backbone interact. energy: -0.764 local terms energy: -537.513528 where: bonds (distance) C4'-P energy: -100.966 bonds (distance) P-C4' energy: -90.017 flat angles C4'-P-C4' energy: -109.506 flat angles P-C4'-P energy: -72.995 tors. eta vs tors. theta energy: -164.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1660.196493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.196493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.196493 (E_RNA) where: Base-Base interactions energy: -1185.714 where: short stacking energy: -476.518 Base-Backbone interact. energy: 2.782 local terms energy: -477.264740 where: bonds (distance) C4'-P energy: -87.929 bonds (distance) P-C4' energy: -87.463 flat angles C4'-P-C4' energy: -99.169 flat angles P-C4'-P energy: -60.117 tors. eta vs tors. theta energy: -142.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1560.925513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.925513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.925513 (E_RNA) where: Base-Base interactions energy: -1085.915 where: short stacking energy: -436.102 Base-Backbone interact. energy: 0.717 local terms energy: -475.727774 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -99.501 flat angles C4'-P-C4' energy: -99.378 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -129.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1268.779311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.779311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.779311 (E_RNA) where: Base-Base interactions energy: -849.055 where: short stacking energy: -379.255 Base-Backbone interact. energy: 0.451 local terms energy: -420.175669 where: bonds (distance) C4'-P energy: -89.737 bonds (distance) P-C4' energy: -86.501 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: -89.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1219.045073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.045073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.045073 (E_RNA) where: Base-Base interactions energy: -843.174 where: short stacking energy: -360.361 Base-Backbone interact. energy: 1.612 local terms energy: -377.483099 where: bonds (distance) C4'-P energy: -87.769 bonds (distance) P-C4' energy: -78.815 flat angles C4'-P-C4' energy: -80.117 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -72.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -864.301022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.301022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.301022 (E_RNA) where: Base-Base interactions energy: -519.927 where: short stacking energy: -259.080 Base-Backbone interact. energy: -0.677 local terms energy: -343.697187 where: bonds (distance) C4'-P energy: -81.367 bonds (distance) P-C4' energy: -79.827 flat angles C4'-P-C4' energy: -92.765 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -30.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -849.354093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.354093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.354093 (E_RNA) where: Base-Base interactions energy: -531.029 where: short stacking energy: -248.334 Base-Backbone interact. energy: -1.487 local terms energy: -316.837151 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -72.395 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -34.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -552.971997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.971997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.971997 (E_RNA) where: Base-Base interactions energy: -284.000 where: short stacking energy: -149.543 Base-Backbone interact. energy: 3.432 local terms energy: -272.403958 where: bonds (distance) C4'-P energy: -72.712 bonds (distance) P-C4' energy: -87.077 flat angles C4'-P-C4' energy: -83.084 flat angles P-C4'-P energy: -30.142 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: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1832.278245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.278245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.278245 (E_RNA) where: Base-Base interactions energy: -1297.084 where: short stacking energy: -537.866 Base-Backbone interact. energy: -4.526 local terms energy: -530.668526 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -95.509 flat angles C4'-P-C4' energy: -101.309 flat angles P-C4'-P energy: -80.224 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: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1717.974501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.974501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.974501 (E_RNA) where: Base-Base interactions energy: -1194.440 where: short stacking energy: -554.125 Base-Backbone interact. energy: -1.025 local terms energy: -522.509199 where: bonds (distance) C4'-P energy: -93.908 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -103.299 flat angles P-C4'-P energy: -70.396 tors. eta vs tors. theta energy: -158.656 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: 356 Temperature: 1.000000 Total energy: -1747.184489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.184489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.184489 (E_RNA) where: Base-Base interactions energy: -1184.343 where: short stacking energy: -525.755 Base-Backbone interact. energy: -2.244 local terms energy: -560.597623 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -96.828 flat angles C4'-P-C4' energy: -119.431 flat angles P-C4'-P energy: -78.383 tors. eta vs tors. theta energy: -168.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1645.345870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.345870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.345870 (E_RNA) where: Base-Base interactions energy: -1142.184 where: short stacking energy: -480.656 Base-Backbone interact. energy: 4.319 local terms energy: -507.480668 where: bonds (distance) C4'-P energy: -92.572 bonds (distance) P-C4' energy: -90.844 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -148.287 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: 356 Temperature: 1.100000 Total energy: -1531.680914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.680914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.680914 (E_RNA) where: Base-Base interactions energy: -1069.618 where: short stacking energy: -446.123 Base-Backbone interact. energy: 1.234 local terms energy: -463.297289 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -97.498 flat angles C4'-P-C4' energy: -110.531 flat angles P-C4'-P energy: -50.846 tors. eta vs tors. theta energy: -119.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1298.353615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.353615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.353615 (E_RNA) where: Base-Base interactions energy: -864.017 where: short stacking energy: -369.139 Base-Backbone interact. energy: -0.581 local terms energy: -433.755700 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -102.741 flat angles C4'-P-C4' energy: -88.112 flat angles P-C4'-P energy: -61.241 tors. eta vs tors. theta energy: -95.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1234.772441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.772441 (E_RNA) where: Base-Base interactions energy: -806.952 where: short stacking energy: -357.957 Base-Backbone interact. energy: -2.872 local terms energy: -424.948997 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -98.534 flat angles C4'-P-C4' energy: -92.794 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: -90.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -879.730582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.730582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.730582 (E_RNA) where: Base-Base interactions energy: -525.888 where: short stacking energy: -255.124 Base-Backbone interact. energy: 0.082 local terms energy: -353.924476 where: bonds (distance) C4'-P energy: -87.043 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -89.689 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -35.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -852.389927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.389927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.389927 (E_RNA) where: Base-Base interactions energy: -517.722 where: short stacking energy: -267.148 Base-Backbone interact. energy: -3.015 local terms energy: -331.652852 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -55.888 tors. eta vs tors. theta energy: -40.286 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: 356 Temperature: 1.350000 Total energy: -494.772099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.772099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.772099 (E_RNA) where: Base-Base interactions energy: -218.334 where: short stacking energy: -130.858 Base-Backbone interact. energy: 3.002 local terms energy: -279.440527 where: bonds (distance) C4'-P energy: -78.809 bonds (distance) P-C4' energy: -96.229 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -34.341 tors. eta vs tors. theta energy: 7.286 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: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1819.182889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.182889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.182889 (E_RNA) where: Base-Base interactions energy: -1281.845 where: short stacking energy: -543.616 Base-Backbone interact. energy: -1.566 local terms energy: -535.771767 where: bonds (distance) C4'-P energy: -102.068 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -111.887 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -144.272 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: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1755.354440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.354440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.354440 (E_RNA) where: Base-Base interactions energy: -1207.829 where: short stacking energy: -536.414 Base-Backbone interact. energy: 0.240 local terms energy: -547.765514 where: bonds (distance) C4'-P energy: -100.270 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -114.155 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -162.332 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: 357 Temperature: 1.000000 Total energy: -1707.091494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.091494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.091494 (E_RNA) where: Base-Base interactions energy: -1182.981 where: short stacking energy: -514.197 Base-Backbone interact. energy: -1.776 local terms energy: -522.334406 where: bonds (distance) C4'-P energy: -75.915 bonds (distance) P-C4' energy: -96.108 flat angles C4'-P-C4' energy: -106.496 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -170.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1655.663037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.663037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.663037 (E_RNA) where: Base-Base interactions energy: -1168.150 where: short stacking energy: -487.555 Base-Backbone interact. energy: 1.903 local terms energy: -489.416332 where: bonds (distance) C4'-P energy: -86.721 bonds (distance) P-C4' energy: -96.728 flat angles C4'-P-C4' energy: -97.689 flat angles P-C4'-P energy: -69.185 tors. eta vs tors. theta energy: -139.094 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: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1564.881293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.881293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.881293 (E_RNA) where: Base-Base interactions energy: -1110.518 where: short stacking energy: -441.775 Base-Backbone interact. energy: 1.637 local terms energy: -456.000268 where: bonds (distance) C4'-P energy: -81.326 bonds (distance) P-C4' energy: -84.813 flat angles C4'-P-C4' energy: -106.666 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: -116.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1327.886253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.886253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.886253 (E_RNA) where: Base-Base interactions energy: -897.598 where: short stacking energy: -392.001 Base-Backbone interact. energy: -1.052 local terms energy: -429.236239 where: bonds (distance) C4'-P energy: -84.721 bonds (distance) P-C4' energy: -85.921 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -60.598 tors. eta vs tors. theta energy: -94.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1164.305487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.305487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.305487 (E_RNA) where: Base-Base interactions energy: -777.674 where: short stacking energy: -336.906 Base-Backbone interact. energy: -1.487 local terms energy: -385.144432 where: bonds (distance) C4'-P energy: -83.061 bonds (distance) P-C4' energy: -70.004 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -67.806 tors. eta vs tors. theta energy: -76.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -990.911006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.911006 (E_RNA) where: Base-Base interactions energy: -613.751 where: short stacking energy: -262.538 Base-Backbone interact. energy: -1.841 local terms energy: -375.318981 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -94.503 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -56.357 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: 357 Temperature: 1.300000 Total energy: -792.648255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.648255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.648255 (E_RNA) where: Base-Base interactions energy: -483.338 where: short stacking energy: -227.371 Base-Backbone interact. energy: 1.126 local terms energy: -310.436011 where: bonds (distance) C4'-P energy: -70.366 bonds (distance) P-C4' energy: -83.131 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -31.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -489.809736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.809736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.809736 (E_RNA) where: Base-Base interactions energy: -214.471 where: short stacking energy: -138.118 Base-Backbone interact. energy: -1.076 local terms energy: -274.263056 where: bonds (distance) C4'-P energy: -87.218 bonds (distance) P-C4' energy: -91.975 flat angles C4'-P-C4' energy: -70.401 flat angles P-C4'-P energy: -30.096 tors. eta vs tors. theta energy: 5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1840.871594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.871594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.871594 (E_RNA) where: Base-Base interactions energy: -1306.524 where: short stacking energy: -533.738 Base-Backbone interact. energy: -1.617 local terms energy: -532.731072 where: bonds (distance) C4'-P energy: -85.492 bonds (distance) P-C4' energy: -105.170 flat angles C4'-P-C4' energy: -112.826 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -154.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1737.145771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.145771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.145771 (E_RNA) where: Base-Base interactions energy: -1192.607 where: short stacking energy: -529.635 Base-Backbone interact. energy: -1.058 local terms energy: -543.481120 where: bonds (distance) C4'-P energy: -86.409 bonds (distance) P-C4' energy: -112.731 flat angles C4'-P-C4' energy: -110.698 flat angles P-C4'-P energy: -73.204 tors. eta vs tors. theta energy: -160.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1705.393073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.393073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.393073 (E_RNA) where: Base-Base interactions energy: -1171.295 where: short stacking energy: -512.202 Base-Backbone interact. energy: -2.377 local terms energy: -531.721463 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -98.513 flat angles C4'-P-C4' energy: -114.296 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -142.195 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: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1617.990506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.990506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.990506 (E_RNA) where: Base-Base interactions energy: -1157.618 where: short stacking energy: -462.840 Base-Backbone interact. energy: -1.381 local terms energy: -458.990617 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -87.212 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -121.454 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: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1552.808701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.808701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.808701 (E_RNA) where: Base-Base interactions energy: -1104.052 where: short stacking energy: -440.530 Base-Backbone interact. energy: 2.488 local terms energy: -451.244683 where: bonds (distance) C4'-P energy: -72.304 bonds (distance) P-C4' energy: -93.751 flat angles C4'-P-C4' energy: -105.937 flat angles P-C4'-P energy: -64.429 tors. eta vs tors. theta energy: -114.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1287.172059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.172059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.172059 (E_RNA) where: Base-Base interactions energy: -851.526 where: short stacking energy: -381.076 Base-Backbone interact. energy: 0.600 local terms energy: -436.246075 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -97.157 flat angles C4'-P-C4' energy: -109.500 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -96.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1213.292732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.292732 (E_RNA) where: Base-Base interactions energy: -819.986 where: short stacking energy: -346.837 Base-Backbone interact. energy: -2.913 local terms energy: -390.393587 where: bonds (distance) C4'-P energy: -84.260 bonds (distance) P-C4' energy: -79.546 flat angles C4'-P-C4' energy: -83.665 flat angles P-C4'-P energy: -58.102 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1005.210684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.210684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.210684 (E_RNA) where: Base-Base interactions energy: -642.800 where: short stacking energy: -306.013 Base-Backbone interact. energy: -0.522 local terms energy: -361.888009 where: bonds (distance) C4'-P energy: -78.317 bonds (distance) P-C4' energy: -71.846 flat angles C4'-P-C4' energy: -92.419 flat angles P-C4'-P energy: -48.295 tors. eta vs tors. theta energy: -71.011 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: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -847.195384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.195384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.195384 (E_RNA) where: Base-Base interactions energy: -502.380 where: short stacking energy: -260.309 Base-Backbone interact. energy: -2.416 local terms energy: -342.399450 where: bonds (distance) C4'-P energy: -74.924 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -56.939 tors. eta vs tors. theta energy: -45.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -467.205566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.205566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.205566 (E_RNA) where: Base-Base interactions energy: -193.006 where: short stacking energy: -146.098 Base-Backbone interact. energy: -0.507 local terms energy: -273.692631 where: bonds (distance) C4'-P energy: -70.287 bonds (distance) P-C4' energy: -86.423 flat angles C4'-P-C4' energy: -72.636 flat angles P-C4'-P energy: -35.620 tors. eta vs tors. theta energy: -8.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1833.797337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.797337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.797337 (E_RNA) where: Base-Base interactions energy: -1287.049 where: short stacking energy: -525.300 Base-Backbone interact. energy: -3.290 local terms energy: -543.458214 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -94.591 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -150.296 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: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1759.102743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.102743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.102743 (E_RNA) where: Base-Base interactions energy: -1226.659 where: short stacking energy: -543.070 Base-Backbone interact. energy: -2.694 local terms energy: -529.749251 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -96.888 flat angles C4'-P-C4' energy: -109.754 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -162.442 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: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1678.291762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.291762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.291762 (E_RNA) where: Base-Base interactions energy: -1138.821 where: short stacking energy: -496.352 Base-Backbone interact. energy: -1.491 local terms energy: -537.980183 where: bonds (distance) C4'-P energy: -93.883 bonds (distance) P-C4' energy: -93.945 flat angles C4'-P-C4' energy: -113.770 flat angles P-C4'-P energy: -80.475 tors. eta vs tors. theta energy: -155.907 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: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1647.479937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.479937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.479937 (E_RNA) where: Base-Base interactions energy: -1174.758 where: short stacking energy: -484.391 Base-Backbone interact. energy: -0.426 local terms energy: -472.295866 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -89.228 flat angles C4'-P-C4' energy: -102.646 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: -138.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1561.949748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.949748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.949748 (E_RNA) where: Base-Base interactions energy: -1087.445 where: short stacking energy: -444.213 Base-Backbone interact. energy: -2.670 local terms energy: -471.834624 where: bonds (distance) C4'-P energy: -82.688 bonds (distance) P-C4' energy: -103.178 flat angles C4'-P-C4' energy: -108.154 flat angles P-C4'-P energy: -65.258 tors. eta vs tors. theta energy: -112.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1319.849692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.849692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.849692 (E_RNA) where: Base-Base interactions energy: -904.761 where: short stacking energy: -406.120 Base-Backbone interact. energy: 2.122 local terms energy: -417.210881 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -97.521 flat angles C4'-P-C4' energy: -85.675 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -107.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1177.687744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.687744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.687744 (E_RNA) where: Base-Base interactions energy: -798.658 where: short stacking energy: -333.363 Base-Backbone interact. energy: -0.145 local terms energy: -378.884396 where: bonds (distance) C4'-P energy: -87.957 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -86.067 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -71.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1010.537259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.537259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.537259 (E_RNA) where: Base-Base interactions energy: -645.061 where: short stacking energy: -298.890 Base-Backbone interact. energy: -2.067 local terms energy: -363.409532 where: bonds (distance) C4'-P energy: -80.429 bonds (distance) P-C4' energy: -86.263 flat angles C4'-P-C4' energy: -85.061 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -54.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -762.105871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.105871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.105871 (E_RNA) where: Base-Base interactions energy: -479.310 where: short stacking energy: -234.739 Base-Backbone interact. energy: -0.947 local terms energy: -281.848970 where: bonds (distance) C4'-P energy: -75.063 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -71.524 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: -18.463 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: 10, replica: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -454.761113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.761113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.761113 (E_RNA) where: Base-Base interactions energy: -186.624 where: short stacking energy: -130.021 Base-Backbone interact. energy: -0.041 local terms energy: -268.096573 where: bonds (distance) C4'-P energy: -74.659 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -68.269 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: 5.718 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1817.717646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.717646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.717646 (E_RNA) where: Base-Base interactions energy: -1287.418 where: short stacking energy: -528.726 Base-Backbone interact. energy: -3.834 local terms energy: -526.465549 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -98.664 flat angles C4'-P-C4' energy: -113.904 flat angles P-C4'-P energy: -76.037 tors. eta vs tors. theta energy: -144.060 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: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1753.622066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.622066 (E_RNA) where: Base-Base interactions energy: -1213.540 where: short stacking energy: -533.651 Base-Backbone interact. energy: -5.072 local terms energy: -535.010117 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -97.649 flat angles C4'-P-C4' energy: -112.792 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: -162.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1703.355129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.355129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.355129 (E_RNA) where: Base-Base interactions energy: -1181.416 where: short stacking energy: -480.165 Base-Backbone interact. energy: -0.355 local terms energy: -521.584163 where: bonds (distance) C4'-P energy: -100.870 bonds (distance) P-C4' energy: -96.603 flat angles C4'-P-C4' energy: -115.217 flat angles P-C4'-P energy: -63.872 tors. eta vs tors. theta energy: -145.023 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: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1622.921406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.921406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.921406 (E_RNA) where: Base-Base interactions energy: -1113.695 where: short stacking energy: -482.870 Base-Backbone interact. energy: -1.858 local terms energy: -507.367605 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -87.232 flat angles C4'-P-C4' energy: -105.991 flat angles P-C4'-P energy: -66.769 tors. eta vs tors. theta energy: -154.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1541.400503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.400503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.400503 (E_RNA) where: Base-Base interactions energy: -1090.210 where: short stacking energy: -442.135 Base-Backbone interact. energy: -1.444 local terms energy: -449.746000 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -97.052 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -58.748 tors. eta vs tors. theta energy: -115.566 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: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1332.788665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.788665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.788665 (E_RNA) where: Base-Base interactions energy: -935.978 where: short stacking energy: -413.158 Base-Backbone interact. energy: 1.259 local terms energy: -398.069316 where: bonds (distance) C4'-P energy: -78.364 bonds (distance) P-C4' energy: -86.684 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -45.638 tors. eta vs tors. theta energy: -97.414 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: 360 Temperature: 1.200000 Total energy: -1165.568161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.568161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.568161 (E_RNA) where: Base-Base interactions energy: -771.791 where: short stacking energy: -313.236 Base-Backbone interact. energy: -4.800 local terms energy: -388.976555 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -97.316 flat angles C4'-P-C4' energy: -78.606 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -68.430 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -983.288850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.288850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.288850 (E_RNA) where: Base-Base interactions energy: -618.798 where: short stacking energy: -312.460 Base-Backbone interact. energy: 0.649 local terms energy: -365.139674 where: bonds (distance) C4'-P energy: -78.295 bonds (distance) P-C4' energy: -88.368 flat angles C4'-P-C4' energy: -87.021 flat angles P-C4'-P energy: -54.844 tors. eta vs tors. theta energy: -56.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -836.146406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.146406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.146406 (E_RNA) where: Base-Base interactions energy: -481.725 where: short stacking energy: -237.188 Base-Backbone interact. energy: -2.817 local terms energy: -351.604620 where: bonds (distance) C4'-P energy: -83.999 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: -38.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -482.648253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.648253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.648253 (E_RNA) where: Base-Base interactions energy: -195.995 where: short stacking energy: -132.448 Base-Backbone interact. energy: -2.399 local terms energy: -284.254424 where: bonds (distance) C4'-P energy: -73.902 bonds (distance) P-C4' energy: -92.943 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: 2.490 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: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1832.088989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.088989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.088989 (E_RNA) where: Base-Base interactions energy: -1301.089 where: short stacking energy: -534.854 Base-Backbone interact. energy: -2.278 local terms energy: -528.722484 where: bonds (distance) C4'-P energy: -91.617 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -117.203 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: -153.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1762.399847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.399847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.399847 (E_RNA) where: Base-Base interactions energy: -1214.711 where: short stacking energy: -536.279 Base-Backbone interact. energy: -1.391 local terms energy: -546.297468 where: bonds (distance) C4'-P energy: -94.697 bonds (distance) P-C4' energy: -105.884 flat angles C4'-P-C4' energy: -120.827 flat angles P-C4'-P energy: -67.893 tors. eta vs tors. theta energy: -156.996 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: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1703.983226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.983226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.983226 (E_RNA) where: Base-Base interactions energy: -1203.760 where: short stacking energy: -491.936 Base-Backbone interact. energy: -2.461 local terms energy: -497.761917 where: bonds (distance) C4'-P energy: -89.373 bonds (distance) P-C4' energy: -84.092 flat angles C4'-P-C4' energy: -113.287 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -140.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1626.348440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.348440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.348440 (E_RNA) where: Base-Base interactions energy: -1130.136 where: short stacking energy: -491.483 Base-Backbone interact. energy: 0.678 local terms energy: -496.890375 where: bonds (distance) C4'-P energy: -83.388 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -72.445 tors. eta vs tors. theta energy: -145.002 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: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1534.420912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.420912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.420912 (E_RNA) where: Base-Base interactions energy: -1061.152 where: short stacking energy: -428.617 Base-Backbone interact. energy: -4.083 local terms energy: -469.185855 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -100.623 flat angles P-C4'-P energy: -66.434 tors. eta vs tors. theta energy: -120.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1324.019692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.019692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.019692 (E_RNA) where: Base-Base interactions energy: -916.555 where: short stacking energy: -373.702 Base-Backbone interact. energy: -1.181 local terms energy: -406.284198 where: bonds (distance) C4'-P energy: -89.535 bonds (distance) P-C4' energy: -81.427 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -47.461 tors. eta vs tors. theta energy: -96.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1158.091572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.091572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.091572 (E_RNA) where: Base-Base interactions energy: -771.034 where: short stacking energy: -329.785 Base-Backbone interact. energy: -1.724 local terms energy: -385.333864 where: bonds (distance) C4'-P energy: -79.946 bonds (distance) P-C4' energy: -92.369 flat angles C4'-P-C4' energy: -76.514 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -66.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -995.937335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.937335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.937335 (E_RNA) where: Base-Base interactions energy: -645.304 where: short stacking energy: -303.456 Base-Backbone interact. energy: -0.385 local terms energy: -350.248328 where: bonds (distance) C4'-P energy: -83.357 bonds (distance) P-C4' energy: -81.345 flat angles C4'-P-C4' energy: -86.185 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: -51.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -820.275011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.275011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.275011 (E_RNA) where: Base-Base interactions energy: -510.444 where: short stacking energy: -231.000 Base-Backbone interact. energy: -0.006 local terms energy: -309.824896 where: bonds (distance) C4'-P energy: -82.870 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -32.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -510.848549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.848549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.848549 (E_RNA) where: Base-Base interactions energy: -258.364 where: short stacking energy: -140.817 Base-Backbone interact. energy: 9.010 local terms energy: -261.494724 where: bonds (distance) C4'-P energy: -71.705 bonds (distance) P-C4' energy: -74.606 flat angles C4'-P-C4' energy: -81.273 flat angles P-C4'-P energy: -26.483 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1812.742416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.742416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.742416 (E_RNA) where: Base-Base interactions energy: -1236.738 where: short stacking energy: -569.627 Base-Backbone interact. energy: -1.962 local terms energy: -574.043018 where: bonds (distance) C4'-P energy: -105.526 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -114.849 flat angles P-C4'-P energy: -75.911 tors. eta vs tors. theta energy: -164.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1784.984313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.984313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.984313 (E_RNA) where: Base-Base interactions energy: -1267.643 where: short stacking energy: -507.152 Base-Backbone interact. energy: -3.475 local terms energy: -513.866713 where: bonds (distance) C4'-P energy: -86.727 bonds (distance) P-C4' energy: -99.048 flat angles C4'-P-C4' energy: -124.801 flat angles P-C4'-P energy: -62.103 tors. eta vs tors. theta energy: -141.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1711.382008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.382008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.382008 (E_RNA) where: Base-Base interactions energy: -1193.481 where: short stacking energy: -486.032 Base-Backbone interact. energy: -2.191 local terms energy: -515.709439 where: bonds (distance) C4'-P energy: -98.148 bonds (distance) P-C4' energy: -94.882 flat angles C4'-P-C4' energy: -113.767 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -135.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1620.130750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.130750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.130750 (E_RNA) where: Base-Base interactions energy: -1095.197 where: short stacking energy: -470.191 Base-Backbone interact. energy: -2.101 local terms energy: -522.833607 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -98.490 flat angles C4'-P-C4' energy: -104.569 flat angles P-C4'-P energy: -73.222 tors. eta vs tors. theta energy: -148.092 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: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1597.472246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.472246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.472246 (E_RNA) where: Base-Base interactions energy: -1125.377 where: short stacking energy: -479.143 Base-Backbone interact. energy: -4.445 local terms energy: -467.650627 where: bonds (distance) C4'-P energy: -80.258 bonds (distance) P-C4' energy: -92.910 flat angles C4'-P-C4' energy: -106.310 flat angles P-C4'-P energy: -69.253 tors. eta vs tors. theta energy: -118.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1422.716994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.716994 (E_RNA) where: Base-Base interactions energy: -992.828 where: short stacking energy: -417.579 Base-Backbone interact. energy: -0.764 local terms energy: -429.125541 where: bonds (distance) C4'-P energy: -71.190 bonds (distance) P-C4' energy: -83.699 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -63.116 tors. eta vs tors. theta energy: -110.873 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: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1198.688432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.688432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.688432 (E_RNA) where: Base-Base interactions energy: -813.042 where: short stacking energy: -348.217 Base-Backbone interact. energy: -1.474 local terms energy: -384.172249 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -80.197 flat angles C4'-P-C4' energy: -101.262 flat angles P-C4'-P energy: -46.353 tors. eta vs tors. theta energy: -76.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -957.776463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.776463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.776463 (E_RNA) where: Base-Base interactions energy: -609.938 where: short stacking energy: -276.379 Base-Backbone interact. energy: -1.414 local terms energy: -346.424022 where: bonds (distance) C4'-P energy: -77.970 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -81.505 flat angles P-C4'-P energy: -43.272 tors. eta vs tors. theta energy: -54.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -829.091562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.091562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.091562 (E_RNA) where: Base-Base interactions energy: -525.204 where: short stacking energy: -249.815 Base-Backbone interact. energy: 2.598 local terms energy: -306.485865 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -93.298 flat angles C4'-P-C4' energy: -71.005 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: -28.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -532.193461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.193461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.193461 (E_RNA) where: Base-Base interactions energy: -243.310 where: short stacking energy: -114.071 Base-Backbone interact. energy: -2.795 local terms energy: -286.087579 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -64.938 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: 13.047 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: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1804.267996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.267996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.267996 (E_RNA) where: Base-Base interactions energy: -1251.692 where: short stacking energy: -557.136 Base-Backbone interact. energy: -1.190 local terms energy: -551.386086 where: bonds (distance) C4'-P energy: -97.071 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -112.614 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: -167.012 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: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1763.368158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.368158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.368158 (E_RNA) where: Base-Base interactions energy: -1241.837 where: short stacking energy: -516.486 Base-Backbone interact. energy: -2.460 local terms energy: -519.071419 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -107.819 flat angles C4'-P-C4' energy: -108.598 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -149.802 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: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1685.959302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.959302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.959302 (E_RNA) where: Base-Base interactions energy: -1206.010 where: short stacking energy: -488.741 Base-Backbone interact. energy: -3.072 local terms energy: -476.877202 where: bonds (distance) C4'-P energy: -89.401 bonds (distance) P-C4' energy: -83.851 flat angles C4'-P-C4' energy: -109.883 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -133.153 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: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1615.245625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.245625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.245625 (E_RNA) where: Base-Base interactions energy: -1142.971 where: short stacking energy: -473.524 Base-Backbone interact. energy: -3.301 local terms energy: -468.973622 where: bonds (distance) C4'-P energy: -88.526 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -100.027 flat angles P-C4'-P energy: -70.001 tors. eta vs tors. theta energy: -120.030 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1546.723684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.723684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.723684 (E_RNA) where: Base-Base interactions energy: -1070.762 where: short stacking energy: -463.615 Base-Backbone interact. energy: -1.149 local terms energy: -474.813533 where: bonds (distance) C4'-P energy: -85.616 bonds (distance) P-C4' energy: -72.943 flat angles C4'-P-C4' energy: -101.376 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -135.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1351.771494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.771494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.771494 (E_RNA) where: Base-Base interactions energy: -921.695 where: short stacking energy: -414.301 Base-Backbone interact. energy: 0.342 local terms energy: -430.418344 where: bonds (distance) C4'-P energy: -69.434 bonds (distance) P-C4' energy: -91.918 flat angles C4'-P-C4' energy: -98.058 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -99.078 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: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1203.222347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.222347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.222347 (E_RNA) where: Base-Base interactions energy: -825.278 where: short stacking energy: -355.001 Base-Backbone interact. energy: -3.872 local terms energy: -374.072991 where: bonds (distance) C4'-P energy: -75.748 bonds (distance) P-C4' energy: -79.981 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: -78.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1010.320298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.320298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.320298 (E_RNA) where: Base-Base interactions energy: -645.491 where: short stacking energy: -287.466 Base-Backbone interact. energy: 0.778 local terms energy: -365.607455 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -86.991 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -64.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -796.076182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.076182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.076182 (E_RNA) where: Base-Base interactions energy: -474.692 where: short stacking energy: -245.213 Base-Backbone interact. energy: 6.279 local terms energy: -327.663316 where: bonds (distance) C4'-P energy: -85.890 bonds (distance) P-C4' energy: -83.800 flat angles C4'-P-C4' energy: -77.456 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -26.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -620.162520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.162520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.162520 (E_RNA) where: Base-Base interactions energy: -363.941 where: short stacking energy: -183.964 Base-Backbone interact. energy: 3.504 local terms energy: -259.726156 where: bonds (distance) C4'-P energy: -84.497 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -32.041 tors. eta vs tors. theta energy: -2.558 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: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1802.146996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.146996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.146996 (E_RNA) where: Base-Base interactions energy: -1251.632 where: short stacking energy: -559.503 Base-Backbone interact. energy: 0.328 local terms energy: -550.843328 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -99.194 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -168.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1790.457754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.457754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.457754 (E_RNA) where: Base-Base interactions energy: -1259.300 where: short stacking energy: -516.296 Base-Backbone interact. energy: 0.124 local terms energy: -531.282082 where: bonds (distance) C4'-P energy: -105.388 bonds (distance) P-C4' energy: -93.477 flat angles C4'-P-C4' energy: -112.883 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -147.759 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: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1701.024504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.024504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.024504 (E_RNA) where: Base-Base interactions energy: -1200.335 where: short stacking energy: -519.159 Base-Backbone interact. energy: -0.542 local terms energy: -500.147114 where: bonds (distance) C4'-P energy: -90.255 bonds (distance) P-C4' energy: -95.954 flat angles C4'-P-C4' energy: -108.099 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -150.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1614.642332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.642332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.642332 (E_RNA) where: Base-Base interactions energy: -1131.035 where: short stacking energy: -461.807 Base-Backbone interact. energy: -0.155 local terms energy: -483.452568 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -98.439 flat angles C4'-P-C4' energy: -110.071 flat angles P-C4'-P energy: -65.958 tors. eta vs tors. theta energy: -113.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1539.702013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.702013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.702013 (E_RNA) where: Base-Base interactions energy: -1071.033 where: short stacking energy: -456.788 Base-Backbone interact. energy: -4.892 local terms energy: -463.777124 where: bonds (distance) C4'-P energy: -84.951 bonds (distance) P-C4' energy: -81.574 flat angles C4'-P-C4' energy: -104.978 flat angles P-C4'-P energy: -65.578 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: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1316.697705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.697705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.697705 (E_RNA) where: Base-Base interactions energy: -898.044 where: short stacking energy: -390.028 Base-Backbone interact. energy: 1.196 local terms energy: -419.849269 where: bonds (distance) C4'-P energy: -76.260 bonds (distance) P-C4' energy: -86.609 flat angles C4'-P-C4' energy: -97.801 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -94.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1212.442711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.442711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.442711 (E_RNA) where: Base-Base interactions energy: -814.523 where: short stacking energy: -350.287 Base-Backbone interact. energy: 1.763 local terms energy: -399.682292 where: bonds (distance) C4'-P energy: -85.056 bonds (distance) P-C4' energy: -95.948 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -84.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1018.030212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.030212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.030212 (E_RNA) where: Base-Base interactions energy: -670.154 where: short stacking energy: -290.743 Base-Backbone interact. energy: -1.539 local terms energy: -346.337432 where: bonds (distance) C4'-P energy: -65.246 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -90.563 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -56.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -812.810129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.810129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.810129 (E_RNA) where: Base-Base interactions energy: -484.595 where: short stacking energy: -233.833 Base-Backbone interact. energy: -1.003 local terms energy: -327.212636 where: bonds (distance) C4'-P energy: -95.935 bonds (distance) P-C4' energy: -80.835 flat angles C4'-P-C4' energy: -75.254 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -36.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -632.442742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.442742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.442742 (E_RNA) where: Base-Base interactions energy: -349.015 where: short stacking energy: -160.067 Base-Backbone interact. energy: -1.342 local terms energy: -282.086001 where: bonds (distance) C4'-P energy: -94.652 bonds (distance) P-C4' energy: -65.373 flat angles C4'-P-C4' energy: -69.880 flat angles P-C4'-P energy: -40.143 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1805.719420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.719420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.719420 (E_RNA) where: Base-Base interactions energy: -1238.464 where: short stacking energy: -543.199 Base-Backbone interact. energy: -1.710 local terms energy: -565.545321 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -105.798 flat angles C4'-P-C4' energy: -110.178 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: -167.891 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: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1789.771404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.771404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.771404 (E_RNA) where: Base-Base interactions energy: -1250.483 where: short stacking energy: -523.704 Base-Backbone interact. energy: -3.814 local terms energy: -535.474472 where: bonds (distance) C4'-P energy: -96.131 bonds (distance) P-C4' energy: -99.164 flat angles C4'-P-C4' energy: -115.902 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -152.213 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: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1672.642028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.642028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.642028 (E_RNA) where: Base-Base interactions energy: -1182.523 where: short stacking energy: -491.036 Base-Backbone interact. energy: 3.243 local terms energy: -493.362090 where: bonds (distance) C4'-P energy: -85.265 bonds (distance) P-C4' energy: -92.316 flat angles C4'-P-C4' energy: -101.154 flat angles P-C4'-P energy: -75.125 tors. eta vs tors. theta energy: -139.502 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: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1613.592061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.592061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.592061 (E_RNA) where: Base-Base interactions energy: -1153.090 where: short stacking energy: -462.283 Base-Backbone interact. energy: -2.757 local terms energy: -457.745431 where: bonds (distance) C4'-P energy: -91.270 bonds (distance) P-C4' energy: -84.704 flat angles C4'-P-C4' energy: -93.491 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -125.034 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: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1588.447289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.447289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.447289 (E_RNA) where: Base-Base interactions energy: -1096.381 where: short stacking energy: -477.190 Base-Backbone interact. energy: -2.550 local terms energy: -489.515737 where: bonds (distance) C4'-P energy: -86.842 bonds (distance) P-C4' energy: -89.339 flat angles C4'-P-C4' energy: -108.088 flat angles P-C4'-P energy: -64.521 tors. eta vs tors. theta energy: -140.727 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1294.425221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.425221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.425221 (E_RNA) where: Base-Base interactions energy: -885.325 where: short stacking energy: -403.246 Base-Backbone interact. energy: -2.178 local terms energy: -406.922929 where: bonds (distance) C4'-P energy: -65.607 bonds (distance) P-C4' energy: -80.370 flat angles C4'-P-C4' energy: -98.298 flat angles P-C4'-P energy: -53.009 tors. eta vs tors. theta energy: -109.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1224.897418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.897418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.897418 (E_RNA) where: Base-Base interactions energy: -842.201 where: short stacking energy: -376.039 Base-Backbone interact. energy: -2.788 local terms energy: -379.908455 where: bonds (distance) C4'-P energy: -58.460 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -94.784 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -82.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1038.321023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.321023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.321023 (E_RNA) where: Base-Base interactions energy: -673.143 where: short stacking energy: -313.859 Base-Backbone interact. energy: -0.256 local terms energy: -364.922133 where: bonds (distance) C4'-P energy: -75.538 bonds (distance) P-C4' energy: -74.092 flat angles C4'-P-C4' energy: -80.248 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -78.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -754.417324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.417324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.417324 (E_RNA) where: Base-Base interactions energy: -441.952 where: short stacking energy: -219.432 Base-Backbone interact. energy: -1.655 local terms energy: -310.810307 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -86.686 flat angles C4'-P-C4' energy: -72.026 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -663.457215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.457215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.457215 (E_RNA) where: Base-Base interactions energy: -400.792 where: short stacking energy: -199.855 Base-Backbone interact. energy: -0.669 local terms energy: -261.995551 where: bonds (distance) C4'-P energy: -63.723 bonds (distance) P-C4' energy: -77.776 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -22.660 tors. eta vs tors. theta energy: -17.970 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: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1815.525077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.525077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.525077 (E_RNA) where: Base-Base interactions energy: -1303.000 where: short stacking energy: -538.431 Base-Backbone interact. energy: -4.343 local terms energy: -508.181742 where: bonds (distance) C4'-P energy: -94.943 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -103.338 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -152.430 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: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1762.591304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.591304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.591304 (E_RNA) where: Base-Base interactions energy: -1222.250 where: short stacking energy: -538.223 Base-Backbone interact. energy: -2.826 local terms energy: -537.515336 where: bonds (distance) C4'-P energy: -101.311 bonds (distance) P-C4' energy: -102.392 flat angles C4'-P-C4' energy: -103.371 flat angles P-C4'-P energy: -67.810 tors. eta vs tors. theta energy: -162.631 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: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1721.205254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.205254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.205254 (E_RNA) where: Base-Base interactions energy: -1217.379 where: short stacking energy: -499.605 Base-Backbone interact. energy: -2.693 local terms energy: -501.133062 where: bonds (distance) C4'-P energy: -88.815 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -103.787 flat angles P-C4'-P energy: -73.416 tors. eta vs tors. theta energy: -144.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1624.692176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.692176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.692176 (E_RNA) where: Base-Base interactions energy: -1144.124 where: short stacking energy: -469.464 Base-Backbone interact. energy: 0.579 local terms energy: -481.147691 where: bonds (distance) C4'-P energy: -77.733 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -114.601 flat angles P-C4'-P energy: -70.617 tors. eta vs tors. theta energy: -127.106 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: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1590.682374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.682374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.682374 (E_RNA) where: Base-Base interactions energy: -1099.653 where: short stacking energy: -461.426 Base-Backbone interact. energy: -0.404 local terms energy: -490.625423 where: bonds (distance) C4'-P energy: -82.810 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -99.073 flat angles P-C4'-P energy: -70.944 tors. eta vs tors. theta energy: -146.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1305.732937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.732937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.732937 (E_RNA) where: Base-Base interactions energy: -881.898 where: short stacking energy: -392.271 Base-Backbone interact. energy: -2.107 local terms energy: -421.727659 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -83.042 flat angles C4'-P-C4' energy: -98.793 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: -91.533 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: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1246.392129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.392129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.392129 (E_RNA) where: Base-Base interactions energy: -830.053 where: short stacking energy: -361.953 Base-Backbone interact. energy: -3.721 local terms energy: -412.618542 where: bonds (distance) C4'-P energy: -91.134 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -94.866 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1066.351473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.351473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.351473 (E_RNA) where: Base-Base interactions energy: -693.942 where: short stacking energy: -301.849 Base-Backbone interact. energy: -2.602 local terms energy: -369.807429 where: bonds (distance) C4'-P energy: -68.783 bonds (distance) P-C4' energy: -90.100 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -47.755 tors. eta vs tors. theta energy: -65.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -772.534759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.534759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.534759 (E_RNA) where: Base-Base interactions energy: -458.113 where: short stacking energy: -228.948 Base-Backbone interact. energy: 3.249 local terms energy: -317.671354 where: bonds (distance) C4'-P energy: -66.604 bonds (distance) P-C4' energy: -84.063 flat angles C4'-P-C4' energy: -63.379 flat angles P-C4'-P energy: -58.808 tors. eta vs tors. theta energy: -44.817 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: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -649.376183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.376183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.376183 (E_RNA) where: Base-Base interactions energy: -394.056 where: short stacking energy: -176.038 Base-Backbone interact. energy: 0.357 local terms energy: -255.676753 where: bonds (distance) C4'-P energy: -67.633 bonds (distance) P-C4' energy: -78.508 flat angles C4'-P-C4' energy: -60.365 flat angles P-C4'-P energy: -45.473 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1816.854583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.854583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.854583 (E_RNA) where: Base-Base interactions energy: -1303.148 where: short stacking energy: -531.421 Base-Backbone interact. energy: -1.793 local terms energy: -511.913551 where: bonds (distance) C4'-P energy: -106.150 bonds (distance) P-C4' energy: -101.494 flat angles C4'-P-C4' energy: -101.768 flat angles P-C4'-P energy: -60.749 tors. eta vs tors. theta energy: -141.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1756.309827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.309827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.309827 (E_RNA) where: Base-Base interactions energy: -1209.815 where: short stacking energy: -536.820 Base-Backbone interact. energy: -0.817 local terms energy: -545.678009 where: bonds (distance) C4'-P energy: -89.043 bonds (distance) P-C4' energy: -107.241 flat angles C4'-P-C4' energy: -116.490 flat angles P-C4'-P energy: -72.881 tors. eta vs tors. theta energy: -160.023 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: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1686.013499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.013499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.013499 (E_RNA) where: Base-Base interactions energy: -1181.799 where: short stacking energy: -492.428 Base-Backbone interact. energy: -2.475 local terms energy: -501.739820 where: bonds (distance) C4'-P energy: -86.939 bonds (distance) P-C4' energy: -94.481 flat angles C4'-P-C4' energy: -107.645 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -143.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1619.356294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.356294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.356294 (E_RNA) where: Base-Base interactions energy: -1132.576 where: short stacking energy: -456.923 Base-Backbone interact. energy: -0.870 local terms energy: -485.909416 where: bonds (distance) C4'-P energy: -92.642 bonds (distance) P-C4' energy: -88.791 flat angles C4'-P-C4' energy: -101.928 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -124.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1585.194008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.194008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.194008 (E_RNA) where: Base-Base interactions energy: -1096.702 where: short stacking energy: -474.383 Base-Backbone interact. energy: -1.834 local terms energy: -486.658461 where: bonds (distance) C4'-P energy: -97.365 bonds (distance) P-C4' energy: -88.480 flat angles C4'-P-C4' energy: -107.960 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: -137.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1293.840413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.840413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.840413 (E_RNA) where: Base-Base interactions energy: -889.939 where: short stacking energy: -397.803 Base-Backbone interact. energy: -3.022 local terms energy: -400.879623 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -86.539 flat angles C4'-P-C4' energy: -95.760 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: -91.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1172.349426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.349426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.349426 (E_RNA) where: Base-Base interactions energy: -760.893 where: short stacking energy: -336.053 Base-Backbone interact. energy: -4.152 local terms energy: -407.303930 where: bonds (distance) C4'-P energy: -90.383 bonds (distance) P-C4' energy: -95.709 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -60.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1080.757252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.757252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.757252 (E_RNA) where: Base-Base interactions energy: -707.814 where: short stacking energy: -338.700 Base-Backbone interact. energy: 0.457 local terms energy: -373.399688 where: bonds (distance) C4'-P energy: -73.522 bonds (distance) P-C4' energy: -62.314 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -89.064 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -753.126838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.126838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.126838 (E_RNA) where: Base-Base interactions energy: -467.541 where: short stacking energy: -227.698 Base-Backbone interact. energy: 5.162 local terms energy: -290.747776 where: bonds (distance) C4'-P energy: -69.060 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -30.355 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: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -625.636125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.636125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.636125 (E_RNA) where: Base-Base interactions energy: -356.203 where: short stacking energy: -171.319 Base-Backbone interact. energy: 0.475 local terms energy: -269.908364 where: bonds (distance) C4'-P energy: -54.486 bonds (distance) P-C4' energy: -84.419 flat angles C4'-P-C4' energy: -81.061 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1815.960112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.960112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.960112 (E_RNA) where: Base-Base interactions energy: -1299.220 where: short stacking energy: -537.758 Base-Backbone interact. energy: 1.873 local terms energy: -518.612526 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -80.028 flat angles C4'-P-C4' energy: -112.604 flat angles P-C4'-P energy: -76.798 tors. eta vs tors. theta energy: -146.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1737.999055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.999055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.999055 (E_RNA) where: Base-Base interactions energy: -1206.940 where: short stacking energy: -515.997 Base-Backbone interact. energy: -2.274 local terms energy: -528.785297 where: bonds (distance) C4'-P energy: -96.359 bonds (distance) P-C4' energy: -95.690 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -72.290 tors. eta vs tors. theta energy: -153.478 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: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1703.999220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.999220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.999220 (E_RNA) where: Base-Base interactions energy: -1197.453 where: short stacking energy: -494.452 Base-Backbone interact. energy: -4.293 local terms energy: -502.253351 where: bonds (distance) C4'-P energy: -91.325 bonds (distance) P-C4' energy: -95.954 flat angles C4'-P-C4' energy: -110.493 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: -145.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1605.379016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.379016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.379016 (E_RNA) where: Base-Base interactions energy: -1135.153 where: short stacking energy: -449.750 Base-Backbone interact. energy: -1.592 local terms energy: -468.633687 where: bonds (distance) C4'-P energy: -80.348 bonds (distance) P-C4' energy: -86.723 flat angles C4'-P-C4' energy: -102.145 flat angles P-C4'-P energy: -72.183 tors. eta vs tors. theta energy: -127.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1592.848133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.848133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.848133 (E_RNA) where: Base-Base interactions energy: -1104.448 where: short stacking energy: -485.250 Base-Backbone interact. energy: -4.429 local terms energy: -483.971850 where: bonds (distance) C4'-P energy: -79.011 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -141.671 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: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1308.634937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.634937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.634937 (E_RNA) where: Base-Base interactions energy: -868.584 where: short stacking energy: -376.713 Base-Backbone interact. energy: 1.451 local terms energy: -441.501668 where: bonds (distance) C4'-P energy: -79.577 bonds (distance) P-C4' energy: -96.791 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -69.609 tors. eta vs tors. theta energy: -99.303 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: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1182.829020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.829020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.829020 (E_RNA) where: Base-Base interactions energy: -783.369 where: short stacking energy: -346.050 Base-Backbone interact. energy: -1.940 local terms energy: -397.519366 where: bonds (distance) C4'-P energy: -73.026 bonds (distance) P-C4' energy: -94.512 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -79.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1139.727519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.727519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.727519 (E_RNA) where: Base-Base interactions energy: -775.774 where: short stacking energy: -342.260 Base-Backbone interact. energy: -1.229 local terms energy: -362.724823 where: bonds (distance) C4'-P energy: -61.155 bonds (distance) P-C4' energy: -86.142 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -78.717 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: 368 Temperature: 1.300000 Total energy: -773.642097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.642097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.642097 (E_RNA) where: Base-Base interactions energy: -467.847 where: short stacking energy: -225.429 Base-Backbone interact. energy: 2.878 local terms energy: -308.673348 where: bonds (distance) C4'-P energy: -91.471 bonds (distance) P-C4' energy: -71.339 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -36.692 tors. eta vs tors. theta energy: -21.824 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: 368 Temperature: 1.350000 Total energy: -636.963316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.963316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.963316 (E_RNA) where: Base-Base interactions energy: -347.827 where: short stacking energy: -182.581 Base-Backbone interact. energy: 2.495 local terms energy: -291.631536 where: bonds (distance) C4'-P energy: -72.366 bonds (distance) P-C4' energy: -85.478 flat angles C4'-P-C4' energy: -85.694 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1803.007277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.007277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.007277 (E_RNA) where: Base-Base interactions energy: -1279.429 where: short stacking energy: -529.858 Base-Backbone interact. energy: -2.835 local terms energy: -520.743440 where: bonds (distance) C4'-P energy: -79.672 bonds (distance) P-C4' energy: -112.796 flat angles C4'-P-C4' energy: -120.779 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -146.515 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: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1736.251343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.251343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.251343 (E_RNA) where: Base-Base interactions energy: -1190.837 where: short stacking energy: -537.896 Base-Backbone interact. energy: -2.258 local terms energy: -543.156841 where: bonds (distance) C4'-P energy: -94.970 bonds (distance) P-C4' energy: -90.275 flat angles C4'-P-C4' energy: -112.532 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: -163.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1724.301442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.301442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.301442 (E_RNA) where: Base-Base interactions energy: -1202.472 where: short stacking energy: -512.014 Base-Backbone interact. energy: -0.699 local terms energy: -521.130814 where: bonds (distance) C4'-P energy: -93.047 bonds (distance) P-C4' energy: -93.168 flat angles C4'-P-C4' energy: -108.704 flat angles P-C4'-P energy: -71.546 tors. eta vs tors. theta energy: -154.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1637.999291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.999291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.999291 (E_RNA) where: Base-Base interactions energy: -1142.574 where: short stacking energy: -475.354 Base-Backbone interact. energy: 6.457 local terms energy: -501.882298 where: bonds (distance) C4'-P energy: -94.483 bonds (distance) P-C4' energy: -96.346 flat angles C4'-P-C4' energy: -112.779 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -131.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1539.096022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.096022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.096022 (E_RNA) where: Base-Base interactions energy: -1061.134 where: short stacking energy: -448.595 Base-Backbone interact. energy: -1.918 local terms energy: -476.044596 where: bonds (distance) C4'-P energy: -87.082 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -101.918 flat angles P-C4'-P energy: -60.259 tors. eta vs tors. theta energy: -126.998 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: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1330.852841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.852841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.852841 (E_RNA) where: Base-Base interactions energy: -901.524 where: short stacking energy: -391.375 Base-Backbone interact. energy: 1.992 local terms energy: -431.320885 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -91.144 flat angles C4'-P-C4' energy: -94.844 flat angles P-C4'-P energy: -71.498 tors. eta vs tors. theta energy: -93.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1221.382073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.382073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.382073 (E_RNA) where: Base-Base interactions energy: -838.962 where: short stacking energy: -367.536 Base-Backbone interact. energy: -2.617 local terms energy: -379.802199 where: bonds (distance) C4'-P energy: -70.415 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -91.288 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: -82.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1168.228140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.228140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.228140 (E_RNA) where: Base-Base interactions energy: -784.273 where: short stacking energy: -364.936 Base-Backbone interact. energy: -0.674 local terms energy: -383.281496 where: bonds (distance) C4'-P energy: -76.314 bonds (distance) P-C4' energy: -84.789 flat angles C4'-P-C4' energy: -84.105 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -93.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -741.894693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.894693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.894693 (E_RNA) where: Base-Base interactions energy: -454.320 where: short stacking energy: -219.539 Base-Backbone interact. energy: -0.604 local terms energy: -286.970072 where: bonds (distance) C4'-P energy: -76.364 bonds (distance) P-C4' energy: -72.430 flat angles C4'-P-C4' energy: -62.680 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -24.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -605.252000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.252000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.252000 (E_RNA) where: Base-Base interactions energy: -349.449 where: short stacking energy: -194.209 Base-Backbone interact. energy: 0.613 local terms energy: -256.416257 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -21.034 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: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1817.320591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.320591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.320591 (E_RNA) where: Base-Base interactions energy: -1277.508 where: short stacking energy: -519.950 Base-Backbone interact. energy: -2.611 local terms energy: -537.202468 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -99.271 flat angles C4'-P-C4' energy: -109.150 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -145.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1729.962775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.962775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.962775 (E_RNA) where: Base-Base interactions energy: -1195.905 where: short stacking energy: -532.723 Base-Backbone interact. energy: -1.511 local terms energy: -532.546954 where: bonds (distance) C4'-P energy: -99.421 bonds (distance) P-C4' energy: -92.400 flat angles C4'-P-C4' energy: -110.840 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -154.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1708.302809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.302809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.302809 (E_RNA) where: Base-Base interactions energy: -1201.383 where: short stacking energy: -510.727 Base-Backbone interact. energy: -0.214 local terms energy: -506.706487 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -90.612 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -152.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1623.375281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.375281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.375281 (E_RNA) where: Base-Base interactions energy: -1141.811 where: short stacking energy: -477.643 Base-Backbone interact. energy: 1.625 local terms energy: -483.189306 where: bonds (distance) C4'-P energy: -84.368 bonds (distance) P-C4' energy: -95.149 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -69.004 tors. eta vs tors. theta energy: -134.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1524.693629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.693629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.693629 (E_RNA) where: Base-Base interactions energy: -1071.209 where: short stacking energy: -461.776 Base-Backbone interact. energy: -1.250 local terms energy: -452.235092 where: bonds (distance) C4'-P energy: -78.881 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -99.246 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -128.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1337.403045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.403045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.403045 (E_RNA) where: Base-Base interactions energy: -936.556 where: short stacking energy: -394.936 Base-Backbone interact. energy: -2.069 local terms energy: -398.778597 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -74.607 flat angles C4'-P-C4' energy: -91.115 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -102.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1228.713115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.713115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.713115 (E_RNA) where: Base-Base interactions energy: -821.483 where: short stacking energy: -354.832 Base-Backbone interact. energy: -2.460 local terms energy: -404.769689 where: bonds (distance) C4'-P energy: -90.057 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -68.041 tors. eta vs tors. theta energy: -89.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1108.285656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.285656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.285656 (E_RNA) where: Base-Base interactions energy: -745.690 where: short stacking energy: -317.756 Base-Backbone interact. energy: -1.510 local terms energy: -361.085450 where: bonds (distance) C4'-P energy: -79.818 bonds (distance) P-C4' energy: -77.873 flat angles C4'-P-C4' energy: -89.886 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -67.345 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: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -791.277255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.277255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.277255 (E_RNA) where: Base-Base interactions energy: -481.092 where: short stacking energy: -244.156 Base-Backbone interact. energy: -1.918 local terms energy: -308.267317 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -72.026 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -29.873 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: 10, replica: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -609.343563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.343563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.343563 (E_RNA) where: Base-Base interactions energy: -324.738 where: short stacking energy: -183.686 Base-Backbone interact. energy: -1.520 local terms energy: -283.085025 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -91.303 flat angles C4'-P-C4' energy: -74.490 flat angles P-C4'-P energy: -34.143 tors. eta vs tors. theta energy: -1.588 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1838.054897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.054897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.054897 (E_RNA) where: Base-Base interactions energy: -1308.234 where: short stacking energy: -538.316 Base-Backbone interact. energy: -2.696 local terms energy: -527.125470 where: bonds (distance) C4'-P energy: -92.795 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -75.059 tors. eta vs tors. theta energy: -147.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1749.884493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.884493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.884493 (E_RNA) where: Base-Base interactions energy: -1214.996 where: short stacking energy: -528.203 Base-Backbone interact. energy: -0.779 local terms energy: -534.109765 where: bonds (distance) C4'-P energy: -103.484 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -114.542 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -154.641 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: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1690.236593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.236593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.236593 (E_RNA) where: Base-Base interactions energy: -1193.270 where: short stacking energy: -502.569 Base-Backbone interact. energy: -3.329 local terms energy: -493.638328 where: bonds (distance) C4'-P energy: -81.434 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -107.714 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: -145.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1638.905600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.905600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.905600 (E_RNA) where: Base-Base interactions energy: -1152.992 where: short stacking energy: -453.730 Base-Backbone interact. energy: -3.633 local terms energy: -482.280496 where: bonds (distance) C4'-P energy: -92.245 bonds (distance) P-C4' energy: -82.585 flat angles C4'-P-C4' energy: -107.179 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -122.002 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: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1538.169721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.169721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.169721 (E_RNA) where: Base-Base interactions energy: -1073.018 where: short stacking energy: -451.670 Base-Backbone interact. energy: 0.351 local terms energy: -465.503082 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -85.325 flat angles C4'-P-C4' energy: -96.249 flat angles P-C4'-P energy: -64.232 tors. eta vs tors. theta energy: -122.444 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1293.516958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.516958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.516958 (E_RNA) where: Base-Base interactions energy: -866.831 where: short stacking energy: -394.792 Base-Backbone interact. energy: -1.240 local terms energy: -425.445996 where: bonds (distance) C4'-P energy: -86.261 bonds (distance) P-C4' energy: -83.532 flat angles C4'-P-C4' energy: -97.495 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: -105.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1215.228620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.228620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.228620 (E_RNA) where: Base-Base interactions energy: -861.127 where: short stacking energy: -339.177 Base-Backbone interact. energy: 3.337 local terms energy: -357.438096 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -75.637 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -57.493 tors. eta vs tors. theta energy: -71.255 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: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1095.731236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.731236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.731236 (E_RNA) where: Base-Base interactions energy: -736.052 where: short stacking energy: -321.732 Base-Backbone interact. energy: -0.535 local terms energy: -359.143887 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -75.668 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -56.135 tors. eta vs tors. theta energy: -66.668 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: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -822.151989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.151989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.151989 (E_RNA) where: Base-Base interactions energy: -489.649 where: short stacking energy: -252.279 Base-Backbone interact. energy: 5.826 local terms energy: -338.328449 where: bonds (distance) C4'-P energy: -84.531 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -74.143 flat angles P-C4'-P energy: -32.231 tors. eta vs tors. theta energy: -48.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -541.303146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.303146 (E_RNA) where: Base-Base interactions energy: -274.610 where: short stacking energy: -144.937 Base-Backbone interact. energy: 3.367 local terms energy: -270.059815 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -35.688 tors. eta vs tors. theta energy: 5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1833.285939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.285939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.285939 (E_RNA) where: Base-Base interactions energy: -1297.714 where: short stacking energy: -520.081 Base-Backbone interact. energy: -0.293 local terms energy: -535.279125 where: bonds (distance) C4'-P energy: -97.295 bonds (distance) P-C4' energy: -102.281 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -75.621 tors. eta vs tors. theta energy: -151.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1743.382314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.382314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.382314 (E_RNA) where: Base-Base interactions energy: -1200.382 where: short stacking energy: -523.542 Base-Backbone interact. energy: -2.204 local terms energy: -540.796064 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -93.088 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -71.346 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: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1670.683690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.683690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.683690 (E_RNA) where: Base-Base interactions energy: -1152.638 where: short stacking energy: -507.824 Base-Backbone interact. energy: -3.202 local terms energy: -514.843355 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -105.298 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -147.572 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: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1611.869803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.869803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.869803 (E_RNA) where: Base-Base interactions energy: -1137.540 where: short stacking energy: -458.646 Base-Backbone interact. energy: -3.053 local terms energy: -471.275933 where: bonds (distance) C4'-P energy: -88.263 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -124.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1593.526539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.526539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.526539 (E_RNA) where: Base-Base interactions energy: -1108.587 where: short stacking energy: -454.976 Base-Backbone interact. energy: -1.161 local terms energy: -483.779213 where: bonds (distance) C4'-P energy: -80.571 bonds (distance) P-C4' energy: -97.078 flat angles C4'-P-C4' energy: -109.901 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -128.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1321.376537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.376537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.376537 (E_RNA) where: Base-Base interactions energy: -882.184 where: short stacking energy: -393.163 Base-Backbone interact. energy: -2.397 local terms energy: -436.795433 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -98.791 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -102.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1234.246144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.246144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.246144 (E_RNA) where: Base-Base interactions energy: -830.007 where: short stacking energy: -352.370 Base-Backbone interact. energy: -0.953 local terms energy: -403.286068 where: bonds (distance) C4'-P energy: -81.736 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -92.863 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -91.416 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: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1113.880785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.880785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.880785 (E_RNA) where: Base-Base interactions energy: -743.552 where: short stacking energy: -333.347 Base-Backbone interact. energy: -3.016 local terms energy: -367.313484 where: bonds (distance) C4'-P energy: -70.873 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -94.848 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -74.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -814.066382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.066382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.066382 (E_RNA) where: Base-Base interactions energy: -480.161 where: short stacking energy: -217.743 Base-Backbone interact. energy: -0.405 local terms energy: -333.500043 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -88.371 flat angles C4'-P-C4' energy: -83.422 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -30.053 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: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -602.200984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.200984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.200984 (E_RNA) where: Base-Base interactions energy: -333.487 where: short stacking energy: -178.414 Base-Backbone interact. energy: 3.959 local terms energy: -272.673009 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -69.119 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1835.548759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.548759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.548759 (E_RNA) where: Base-Base interactions energy: -1314.274 where: short stacking energy: -537.288 Base-Backbone interact. energy: -2.584 local terms energy: -518.690831 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -97.408 flat angles C4'-P-C4' energy: -108.503 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -148.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1747.951761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.951761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.951761 (E_RNA) where: Base-Base interactions energy: -1189.991 where: short stacking energy: -519.607 Base-Backbone interact. energy: -0.532 local terms energy: -557.429057 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -102.450 flat angles C4'-P-C4' energy: -121.668 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -160.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1652.693365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.693365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.693365 (E_RNA) where: Base-Base interactions energy: -1136.719 where: short stacking energy: -459.353 Base-Backbone interact. energy: -0.973 local terms energy: -515.000841 where: bonds (distance) C4'-P energy: -85.335 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -67.988 tors. eta vs tors. theta energy: -142.939 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: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1658.690419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.690419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.690419 (E_RNA) where: Base-Base interactions energy: -1159.485 where: short stacking energy: -495.427 Base-Backbone interact. energy: -0.847 local terms energy: -498.358840 where: bonds (distance) C4'-P energy: -95.973 bonds (distance) P-C4' energy: -87.289 flat angles C4'-P-C4' energy: -102.695 flat angles P-C4'-P energy: -68.977 tors. eta vs tors. theta energy: -143.425 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: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1573.036315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.036315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.036315 (E_RNA) where: Base-Base interactions energy: -1119.130 where: short stacking energy: -445.579 Base-Backbone interact. energy: 0.355 local terms energy: -454.261589 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -93.073 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -112.304 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: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1296.433609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.433609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.433609 (E_RNA) where: Base-Base interactions energy: -852.983 where: short stacking energy: -381.366 Base-Backbone interact. energy: 0.625 local terms energy: -444.075583 where: bonds (distance) C4'-P energy: -90.990 bonds (distance) P-C4' energy: -102.536 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -63.161 tors. eta vs tors. theta energy: -107.585 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: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1233.967267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.967267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.967267 (E_RNA) where: Base-Base interactions energy: -853.790 where: short stacking energy: -359.017 Base-Backbone interact. energy: -4.064 local terms energy: -376.113201 where: bonds (distance) C4'-P energy: -84.610 bonds (distance) P-C4' energy: -80.876 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -89.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1115.619732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.619732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.619732 (E_RNA) where: Base-Base interactions energy: -716.584 where: short stacking energy: -333.072 Base-Backbone interact. energy: -0.670 local terms energy: -398.365903 where: bonds (distance) C4'-P energy: -86.123 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -93.973 flat angles P-C4'-P energy: -50.439 tors. eta vs tors. theta energy: -79.513 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: 373 Temperature: 1.300000 Total energy: -813.271616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.271616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.271616 (E_RNA) where: Base-Base interactions energy: -486.989 where: short stacking energy: -266.793 Base-Backbone interact. energy: -0.424 local terms energy: -325.858133 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -80.934 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -42.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -536.942157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.942157 (E_RNA) where: Base-Base interactions energy: -250.542 where: short stacking energy: -161.269 Base-Backbone interact. energy: 3.399 local terms energy: -289.798885 where: bonds (distance) C4'-P energy: -76.536 bonds (distance) P-C4' energy: -72.828 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -18.549 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: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1805.310583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.310583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.310583 (E_RNA) where: Base-Base interactions energy: -1277.931 where: short stacking energy: -519.798 Base-Backbone interact. energy: -2.250 local terms energy: -525.130048 where: bonds (distance) C4'-P energy: -94.473 bonds (distance) P-C4' energy: -103.157 flat angles C4'-P-C4' energy: -108.746 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -141.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1728.034391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.034391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.034391 (E_RNA) where: Base-Base interactions energy: -1188.889 where: short stacking energy: -519.391 Base-Backbone interact. energy: -3.048 local terms energy: -536.097331 where: bonds (distance) C4'-P energy: -95.676 bonds (distance) P-C4' energy: -101.164 flat angles C4'-P-C4' energy: -115.307 flat angles P-C4'-P energy: -66.722 tors. eta vs tors. theta energy: -157.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1689.454459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.454459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.454459 (E_RNA) where: Base-Base interactions energy: -1167.412 where: short stacking energy: -498.751 Base-Backbone interact. energy: 0.201 local terms energy: -522.243448 where: bonds (distance) C4'-P energy: -87.090 bonds (distance) P-C4' energy: -99.324 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -66.717 tors. eta vs tors. theta energy: -156.103 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: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1614.861064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.861064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.861064 (E_RNA) where: Base-Base interactions energy: -1118.555 where: short stacking energy: -472.037 Base-Backbone interact. energy: -4.325 local terms energy: -491.980813 where: bonds (distance) C4'-P energy: -91.998 bonds (distance) P-C4' energy: -82.772 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -70.849 tors. eta vs tors. theta energy: -139.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1591.128372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.128372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.128372 (E_RNA) where: Base-Base interactions energy: -1124.573 where: short stacking energy: -433.824 Base-Backbone interact. energy: -3.964 local terms energy: -462.591625 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -89.267 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -117.926 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: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1282.205367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.205367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.205367 (E_RNA) where: Base-Base interactions energy: -862.397 where: short stacking energy: -366.026 Base-Backbone interact. energy: -1.454 local terms energy: -418.354872 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -87.129 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -87.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1220.799429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.799429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.799429 (E_RNA) where: Base-Base interactions energy: -833.015 where: short stacking energy: -356.878 Base-Backbone interact. energy: -2.339 local terms energy: -385.445679 where: bonds (distance) C4'-P energy: -84.512 bonds (distance) P-C4' energy: -80.152 flat angles C4'-P-C4' energy: -84.671 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -94.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1119.383667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.383667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.383667 (E_RNA) where: Base-Base interactions energy: -748.156 where: short stacking energy: -335.501 Base-Backbone interact. energy: -2.874 local terms energy: -368.353668 where: bonds (distance) C4'-P energy: -81.368 bonds (distance) P-C4' energy: -72.747 flat angles C4'-P-C4' energy: -79.399 flat angles P-C4'-P energy: -50.768 tors. eta vs tors. theta energy: -84.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -845.925372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.925372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.925372 (E_RNA) where: Base-Base interactions energy: -525.825 where: short stacking energy: -233.809 Base-Backbone interact. energy: 0.186 local terms energy: -320.285666 where: bonds (distance) C4'-P energy: -70.191 bonds (distance) P-C4' energy: -88.377 flat angles C4'-P-C4' energy: -80.484 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -28.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -503.687668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.687668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.687668 (E_RNA) where: Base-Base interactions energy: -247.646 where: short stacking energy: -141.009 Base-Backbone interact. energy: 10.370 local terms energy: -266.411377 where: bonds (distance) C4'-P energy: -67.641 bonds (distance) P-C4' energy: -87.675 flat angles C4'-P-C4' energy: -77.859 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: 11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1821.617934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.617934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.617934 (E_RNA) where: Base-Base interactions energy: -1299.675 where: short stacking energy: -524.454 Base-Backbone interact. energy: -0.696 local terms energy: -521.246111 where: bonds (distance) C4'-P energy: -91.102 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -108.015 flat angles P-C4'-P energy: -80.469 tors. eta vs tors. theta energy: -145.138 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: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1733.056140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.056140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.056140 (E_RNA) where: Base-Base interactions energy: -1197.885 where: short stacking energy: -510.393 Base-Backbone interact. energy: 0.180 local terms energy: -535.350567 where: bonds (distance) C4'-P energy: -96.360 bonds (distance) P-C4' energy: -94.205 flat angles C4'-P-C4' energy: -116.723 flat angles P-C4'-P energy: -74.957 tors. eta vs tors. theta energy: -153.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1696.846403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.846403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.846403 (E_RNA) where: Base-Base interactions energy: -1193.722 where: short stacking energy: -521.861 Base-Backbone interact. energy: -2.703 local terms energy: -500.421083 where: bonds (distance) C4'-P energy: -89.080 bonds (distance) P-C4' energy: -100.201 flat angles C4'-P-C4' energy: -107.180 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -154.638 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: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1604.895557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.895557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.895557 (E_RNA) where: Base-Base interactions energy: -1130.333 where: short stacking energy: -450.108 Base-Backbone interact. energy: -2.226 local terms energy: -472.337078 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -88.029 flat angles C4'-P-C4' energy: -101.383 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -135.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1587.030362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.030362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.030362 (E_RNA) where: Base-Base interactions energy: -1087.914 where: short stacking energy: -469.261 Base-Backbone interact. energy: -3.243 local terms energy: -495.873861 where: bonds (distance) C4'-P energy: -87.076 bonds (distance) P-C4' energy: -89.016 flat angles C4'-P-C4' energy: -113.310 flat angles P-C4'-P energy: -70.438 tors. eta vs tors. theta energy: -136.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1297.498784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.498784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.498784 (E_RNA) where: Base-Base interactions energy: -861.037 where: short stacking energy: -366.576 Base-Backbone interact. energy: 2.545 local terms energy: -439.006581 where: bonds (distance) C4'-P energy: -86.613 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -97.401 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -102.731 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: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1271.657370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.657370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.657370 (E_RNA) where: Base-Base interactions energy: -859.483 where: short stacking energy: -362.728 Base-Backbone interact. energy: -1.580 local terms energy: -410.594395 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -87.731 flat angles C4'-P-C4' energy: -96.842 flat angles P-C4'-P energy: -54.947 tors. eta vs tors. theta energy: -92.890 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: 375 Temperature: 1.250000 Total energy: -1162.349444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.349444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.349444 (E_RNA) where: Base-Base interactions energy: -783.644 where: short stacking energy: -340.000 Base-Backbone interact. energy: -1.504 local terms energy: -377.201455 where: bonds (distance) C4'-P energy: -81.879 bonds (distance) P-C4' energy: -75.953 flat angles C4'-P-C4' energy: -90.664 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -79.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -794.011636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.011636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.011636 (E_RNA) where: Base-Base interactions energy: -473.318 where: short stacking energy: -226.690 Base-Backbone interact. energy: -2.994 local terms energy: -317.700055 where: bonds (distance) C4'-P energy: -63.489 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -75.583 flat angles P-C4'-P energy: -39.978 tors. eta vs tors. theta energy: -49.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -510.642427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.642427 (E_RNA) where: Base-Base interactions energy: -241.970 where: short stacking energy: -143.533 Base-Backbone interact. energy: 5.401 local terms energy: -274.074078 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -34.416 tors. eta vs tors. theta energy: -13.398 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1821.274274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.274274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.274274 (E_RNA) where: Base-Base interactions energy: -1279.951 where: short stacking energy: -532.470 Base-Backbone interact. energy: -1.704 local terms energy: -539.619118 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -98.311 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -146.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1750.588777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.588777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.588777 (E_RNA) where: Base-Base interactions energy: -1229.490 where: short stacking energy: -538.581 Base-Backbone interact. energy: -0.696 local terms energy: -520.402871 where: bonds (distance) C4'-P energy: -102.749 bonds (distance) P-C4' energy: -87.692 flat angles C4'-P-C4' energy: -108.360 flat angles P-C4'-P energy: -67.622 tors. eta vs tors. theta energy: -153.979 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: 376 Temperature: 1.000000 Total energy: -1647.807617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.807617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.807617 (E_RNA) where: Base-Base interactions energy: -1179.317 where: short stacking energy: -473.666 Base-Backbone interact. energy: -2.912 local terms energy: -465.578532 where: bonds (distance) C4'-P energy: -81.790 bonds (distance) P-C4' energy: -87.546 flat angles C4'-P-C4' energy: -107.381 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -126.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1664.608346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.608346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.608346 (E_RNA) where: Base-Base interactions energy: -1139.805 where: short stacking energy: -497.779 Base-Backbone interact. energy: -1.322 local terms energy: -523.481200 where: bonds (distance) C4'-P energy: -100.721 bonds (distance) P-C4' energy: -102.461 flat angles C4'-P-C4' energy: -105.784 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -150.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1547.160030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.160030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.160030 (E_RNA) where: Base-Base interactions energy: -1064.370 where: short stacking energy: -475.715 Base-Backbone interact. energy: -1.335 local terms energy: -481.454817 where: bonds (distance) C4'-P energy: -93.958 bonds (distance) P-C4' energy: -85.172 flat angles C4'-P-C4' energy: -95.681 flat angles P-C4'-P energy: -71.957 tors. eta vs tors. theta energy: -134.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1288.120714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.120714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.120714 (E_RNA) where: Base-Base interactions energy: -896.110 where: short stacking energy: -374.760 Base-Backbone interact. energy: -0.236 local terms energy: -391.774038 where: bonds (distance) C4'-P energy: -79.172 bonds (distance) P-C4' energy: -78.350 flat angles C4'-P-C4' energy: -97.181 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -92.372 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: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1181.781719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.781719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.781719 (E_RNA) where: Base-Base interactions energy: -824.224 where: short stacking energy: -336.707 Base-Backbone interact. energy: 0.753 local terms energy: -358.310747 where: bonds (distance) C4'-P energy: -68.081 bonds (distance) P-C4' energy: -94.389 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -62.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1131.194904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.194904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.194904 (E_RNA) where: Base-Base interactions energy: -748.652 where: short stacking energy: -328.749 Base-Backbone interact. energy: 5.061 local terms energy: -387.604592 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -90.839 flat angles C4'-P-C4' energy: -91.995 flat angles P-C4'-P energy: -65.561 tors. eta vs tors. theta energy: -64.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -822.621053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.621053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.621053 (E_RNA) where: Base-Base interactions energy: -533.233 where: short stacking energy: -245.291 Base-Backbone interact. energy: -0.701 local terms energy: -288.686892 where: bonds (distance) C4'-P energy: -68.646 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -29.889 tors. eta vs tors. theta energy: -36.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -575.667465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.667465 (E_RNA) where: Base-Base interactions energy: -295.705 where: short stacking energy: -164.802 Base-Backbone interact. energy: 0.063 local terms energy: -280.025887 where: bonds (distance) C4'-P energy: -88.382 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -67.029 flat angles P-C4'-P energy: -33.617 tors. eta vs tors. theta energy: -10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1805.871119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.871119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.871119 (E_RNA) where: Base-Base interactions energy: -1277.865 where: short stacking energy: -536.263 Base-Backbone interact. energy: -0.981 local terms energy: -527.024533 where: bonds (distance) C4'-P energy: -90.701 bonds (distance) P-C4' energy: -99.506 flat angles C4'-P-C4' energy: -103.061 flat angles P-C4'-P energy: -77.465 tors. eta vs tors. theta energy: -156.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1753.406868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.406868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.406868 (E_RNA) where: Base-Base interactions energy: -1222.148 where: short stacking energy: -524.076 Base-Backbone interact. energy: 0.228 local terms energy: -531.487546 where: bonds (distance) C4'-P energy: -97.520 bonds (distance) P-C4' energy: -96.385 flat angles C4'-P-C4' energy: -110.200 flat angles P-C4'-P energy: -77.225 tors. eta vs tors. theta energy: -150.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1675.570430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.570430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.570430 (E_RNA) where: Base-Base interactions energy: -1164.458 where: short stacking energy: -466.535 Base-Backbone interact. energy: -0.328 local terms energy: -510.784651 where: bonds (distance) C4'-P energy: -99.968 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -121.233 flat angles P-C4'-P energy: -68.020 tors. eta vs tors. theta energy: -125.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1642.718516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.718516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.718516 (E_RNA) where: Base-Base interactions energy: -1151.819 where: short stacking energy: -486.111 Base-Backbone interact. energy: 1.529 local terms energy: -492.427740 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -87.811 flat angles C4'-P-C4' energy: -107.061 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -138.550 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: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1531.959471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.959471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.959471 (E_RNA) where: Base-Base interactions energy: -1068.689 where: short stacking energy: -454.815 Base-Backbone interact. energy: -1.433 local terms energy: -461.837428 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -125.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1297.259920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.259920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.259920 (E_RNA) where: Base-Base interactions energy: -897.157 where: short stacking energy: -395.293 Base-Backbone interact. energy: 2.234 local terms energy: -402.336594 where: bonds (distance) C4'-P energy: -77.333 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -59.022 tors. eta vs tors. theta energy: -90.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1267.795356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.795356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.795356 (E_RNA) where: Base-Base interactions energy: -860.749 where: short stacking energy: -371.049 Base-Backbone interact. energy: -2.329 local terms energy: -404.717255 where: bonds (distance) C4'-P energy: -82.545 bonds (distance) P-C4' energy: -91.224 flat angles C4'-P-C4' energy: -92.663 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -83.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1151.330028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.330028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.330028 (E_RNA) where: Base-Base interactions energy: -764.129 where: short stacking energy: -350.566 Base-Backbone interact. energy: 1.480 local terms energy: -388.681529 where: bonds (distance) C4'-P energy: -75.424 bonds (distance) P-C4' energy: -86.090 flat angles C4'-P-C4' energy: -84.569 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -83.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -867.979761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.979761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.979761 (E_RNA) where: Base-Base interactions energy: -539.628 where: short stacking energy: -253.988 Base-Backbone interact. energy: 0.009 local terms energy: -328.360796 where: bonds (distance) C4'-P energy: -87.855 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -73.306 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -40.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -546.138145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.138145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.138145 (E_RNA) where: Base-Base interactions energy: -279.674 where: short stacking energy: -167.448 Base-Backbone interact. energy: -2.205 local terms energy: -264.259438 where: bonds (distance) C4'-P energy: -74.427 bonds (distance) P-C4' energy: -88.365 flat angles C4'-P-C4' energy: -64.952 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: 1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1817.254810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.254810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.254810 (E_RNA) where: Base-Base interactions energy: -1308.210 where: short stacking energy: -545.108 Base-Backbone interact. energy: 0.216 local terms energy: -509.260823 where: bonds (distance) C4'-P energy: -92.578 bonds (distance) P-C4' energy: -85.680 flat angles C4'-P-C4' energy: -110.494 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: -150.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1744.694874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.694874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.694874 (E_RNA) where: Base-Base interactions energy: -1213.237 where: short stacking energy: -540.790 Base-Backbone interact. energy: -0.701 local terms energy: -530.757231 where: bonds (distance) C4'-P energy: -93.123 bonds (distance) P-C4' energy: -91.986 flat angles C4'-P-C4' energy: -113.053 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -160.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1629.752402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.752402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.752402 (E_RNA) where: Base-Base interactions energy: -1141.712 where: short stacking energy: -464.050 Base-Backbone interact. energy: -1.004 local terms energy: -487.036022 where: bonds (distance) C4'-P energy: -98.866 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -105.434 flat angles P-C4'-P energy: -68.526 tors. eta vs tors. theta energy: -123.503 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1648.550307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.550307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.550307 (E_RNA) where: Base-Base interactions energy: -1140.950 where: short stacking energy: -482.585 Base-Backbone interact. energy: -0.925 local terms energy: -506.675095 where: bonds (distance) C4'-P energy: -88.473 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -145.608 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: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1540.972430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.972430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.972430 (E_RNA) where: Base-Base interactions energy: -1060.725 where: short stacking energy: -456.562 Base-Backbone interact. energy: -1.679 local terms energy: -478.568587 where: bonds (distance) C4'-P energy: -81.638 bonds (distance) P-C4' energy: -83.371 flat angles C4'-P-C4' energy: -106.402 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -137.313 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: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1292.828313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.828313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.828313 (E_RNA) where: Base-Base interactions energy: -863.213 where: short stacking energy: -375.827 Base-Backbone interact. energy: 3.346 local terms energy: -432.960842 where: bonds (distance) C4'-P energy: -84.242 bonds (distance) P-C4' energy: -101.214 flat angles C4'-P-C4' energy: -96.946 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -104.751 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: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1224.311609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.311609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.311609 (E_RNA) where: Base-Base interactions energy: -817.999 where: short stacking energy: -337.205 Base-Backbone interact. energy: -2.953 local terms energy: -403.359313 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -75.751 flat angles C4'-P-C4' energy: -78.985 flat angles P-C4'-P energy: -73.126 tors. eta vs tors. theta energy: -86.044 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: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1138.577419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.577419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.577419 (E_RNA) where: Base-Base interactions energy: -763.369 where: short stacking energy: -338.985 Base-Backbone interact. energy: -2.104 local terms energy: -373.104237 where: bonds (distance) C4'-P energy: -82.636 bonds (distance) P-C4' energy: -88.499 flat angles C4'-P-C4' energy: -84.305 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -71.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -821.700614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.700614 (E_RNA) where: Base-Base interactions energy: -495.737 where: short stacking energy: -254.828 Base-Backbone interact. energy: 1.714 local terms energy: -327.678107 where: bonds (distance) C4'-P energy: -74.580 bonds (distance) P-C4' energy: -75.869 flat angles C4'-P-C4' energy: -82.196 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -44.504 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: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -551.601784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.601784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.601784 (E_RNA) where: Base-Base interactions energy: -274.663 where: short stacking energy: -140.679 Base-Backbone interact. energy: 0.552 local terms energy: -277.490553 where: bonds (distance) C4'-P energy: -83.978 bonds (distance) P-C4' energy: -87.846 flat angles C4'-P-C4' energy: -70.696 flat angles P-C4'-P energy: -42.070 tors. eta vs tors. theta energy: 7.099 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1784.776394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.776394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.776394 (E_RNA) where: Base-Base interactions energy: -1272.362 where: short stacking energy: -532.270 Base-Backbone interact. energy: -2.066 local terms energy: -510.348881 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -92.461 flat angles C4'-P-C4' energy: -107.961 flat angles P-C4'-P energy: -67.629 tors. eta vs tors. theta energy: -148.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1753.575572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.575572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.575572 (E_RNA) where: Base-Base interactions energy: -1209.593 where: short stacking energy: -534.744 Base-Backbone interact. energy: -2.078 local terms energy: -541.904552 where: bonds (distance) C4'-P energy: -92.257 bonds (distance) P-C4' energy: -94.243 flat angles C4'-P-C4' energy: -112.679 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -164.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1681.774171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.774171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.774171 (E_RNA) where: Base-Base interactions energy: -1185.354 where: short stacking energy: -487.938 Base-Backbone interact. energy: -2.460 local terms energy: -493.960181 where: bonds (distance) C4'-P energy: -95.722 bonds (distance) P-C4' energy: -87.639 flat angles C4'-P-C4' energy: -107.737 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -131.871 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: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1663.805667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.805667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.805667 (E_RNA) where: Base-Base interactions energy: -1158.818 where: short stacking energy: -504.012 Base-Backbone interact. energy: -1.591 local terms energy: -503.395900 where: bonds (distance) C4'-P energy: -93.300 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -106.551 flat angles P-C4'-P energy: -67.609 tors. eta vs tors. theta energy: -146.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1582.580087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.580087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.580087 (E_RNA) where: Base-Base interactions energy: -1092.603 where: short stacking energy: -473.653 Base-Backbone interact. energy: -2.139 local terms energy: -487.837592 where: bonds (distance) C4'-P energy: -78.434 bonds (distance) P-C4' energy: -98.969 flat angles C4'-P-C4' energy: -112.250 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: -128.680 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: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1333.803180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.803180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.803180 (E_RNA) where: Base-Base interactions energy: -903.289 where: short stacking energy: -374.739 Base-Backbone interact. energy: 2.784 local terms energy: -433.297870 where: bonds (distance) C4'-P energy: -70.581 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -108.223 flat angles P-C4'-P energy: -66.500 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1266.417207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.417207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.417207 (E_RNA) where: Base-Base interactions energy: -844.625 where: short stacking energy: -380.718 Base-Backbone interact. energy: -0.762 local terms energy: -421.030843 where: bonds (distance) C4'-P energy: -85.533 bonds (distance) P-C4' energy: -84.787 flat angles C4'-P-C4' energy: -100.435 flat angles P-C4'-P energy: -58.123 tors. eta vs tors. theta energy: -92.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1123.067117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.067117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.067117 (E_RNA) where: Base-Base interactions energy: -720.390 where: short stacking energy: -329.751 Base-Backbone interact. energy: 3.504 local terms energy: -406.181270 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -81.906 flat angles C4'-P-C4' energy: -104.075 flat angles P-C4'-P energy: -60.884 tors. eta vs tors. theta energy: -69.810 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: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -810.426657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.426657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.426657 (E_RNA) where: Base-Base interactions energy: -509.069 where: short stacking energy: -235.622 Base-Backbone interact. energy: -0.505 local terms energy: -300.852958 where: bonds (distance) C4'-P energy: -81.514 bonds (distance) P-C4' energy: -62.827 flat angles C4'-P-C4' energy: -79.828 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -30.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -508.346934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.346934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.346934 (E_RNA) where: Base-Base interactions energy: -220.208 where: short stacking energy: -157.687 Base-Backbone interact. energy: -2.423 local terms energy: -285.715927 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1812.615199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.615199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.615199 (E_RNA) where: Base-Base interactions energy: -1288.232 where: short stacking energy: -532.009 Base-Backbone interact. energy: -1.382 local terms energy: -523.001737 where: bonds (distance) C4'-P energy: -95.716 bonds (distance) P-C4' energy: -91.669 flat angles C4'-P-C4' energy: -119.432 flat angles P-C4'-P energy: -67.099 tors. eta vs tors. theta energy: -149.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1741.205487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.205487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.205487 (E_RNA) where: Base-Base interactions energy: -1207.198 where: short stacking energy: -518.354 Base-Backbone interact. energy: -2.762 local terms energy: -531.244914 where: bonds (distance) C4'-P energy: -90.668 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -108.800 flat angles P-C4'-P energy: -73.157 tors. eta vs tors. theta energy: -159.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1679.611254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.611254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.611254 (E_RNA) where: Base-Base interactions energy: -1195.642 where: short stacking energy: -468.600 Base-Backbone interact. energy: -3.946 local terms energy: -480.023016 where: bonds (distance) C4'-P energy: -90.358 bonds (distance) P-C4' energy: -93.834 flat angles C4'-P-C4' energy: -100.384 flat angles P-C4'-P energy: -65.923 tors. eta vs tors. theta energy: -129.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1658.173802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.173802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.173802 (E_RNA) where: Base-Base interactions energy: -1153.447 where: short stacking energy: -510.974 Base-Backbone interact. energy: 0.925 local terms energy: -505.651463 where: bonds (distance) C4'-P energy: -90.790 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -100.433 flat angles P-C4'-P energy: -66.011 tors. eta vs tors. theta energy: -157.049 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: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1541.325970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.325970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.325970 (E_RNA) where: Base-Base interactions energy: -1081.280 where: short stacking energy: -451.073 Base-Backbone interact. energy: -1.848 local terms energy: -458.198832 where: bonds (distance) C4'-P energy: -83.828 bonds (distance) P-C4' energy: -93.532 flat angles C4'-P-C4' energy: -95.242 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -134.002 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: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1366.374374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.374374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.374374 (E_RNA) where: Base-Base interactions energy: -944.093 where: short stacking energy: -397.832 Base-Backbone interact. energy: -1.013 local terms energy: -421.269079 where: bonds (distance) C4'-P energy: -80.661 bonds (distance) P-C4' energy: -99.174 flat angles C4'-P-C4' energy: -95.646 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -90.760 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: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1252.716204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.716204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.716204 (E_RNA) where: Base-Base interactions energy: -854.736 where: short stacking energy: -346.142 Base-Backbone interact. energy: -1.596 local terms energy: -396.384682 where: bonds (distance) C4'-P energy: -83.639 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -98.185 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -83.838 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: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1122.304382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.304382 (E_RNA) where: Base-Base interactions energy: -735.380 where: short stacking energy: -323.892 Base-Backbone interact. energy: 0.299 local terms energy: -387.223040 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -80.778 flat angles C4'-P-C4' energy: -85.859 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -84.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -845.383047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.383047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.383047 (E_RNA) where: Base-Base interactions energy: -531.067 where: short stacking energy: -278.872 Base-Backbone interact. energy: 1.832 local terms energy: -316.148111 where: bonds (distance) C4'-P energy: -64.786 bonds (distance) P-C4' energy: -89.466 flat angles C4'-P-C4' energy: -86.412 flat angles P-C4'-P energy: -23.588 tors. eta vs tors. theta energy: -51.895 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: 380 Temperature: 1.350000 Total energy: -477.364015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.364015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.364015 (E_RNA) where: Base-Base interactions energy: -203.725 where: short stacking energy: -128.987 Base-Backbone interact. energy: 0.331 local terms energy: -273.970175 where: bonds (distance) C4'-P energy: -92.137 bonds (distance) P-C4' energy: -62.509 flat angles C4'-P-C4' energy: -88.607 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: 9.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1806.381783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.381783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.381783 (E_RNA) where: Base-Base interactions energy: -1274.627 where: short stacking energy: -520.242 Base-Backbone interact. energy: -4.143 local terms energy: -527.611398 where: bonds (distance) C4'-P energy: -86.631 bonds (distance) P-C4' energy: -109.151 flat angles C4'-P-C4' energy: -114.951 flat angles P-C4'-P energy: -72.969 tors. eta vs tors. theta energy: -143.910 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: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1724.362215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.362215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.362215 (E_RNA) where: Base-Base interactions energy: -1204.218 where: short stacking energy: -493.466 Base-Backbone interact. energy: -0.036 local terms energy: -520.108440 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -99.759 flat angles C4'-P-C4' energy: -118.510 flat angles P-C4'-P energy: -80.584 tors. eta vs tors. theta energy: -131.363 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: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1685.866161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.866161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.866161 (E_RNA) where: Base-Base interactions energy: -1191.075 where: short stacking energy: -510.866 Base-Backbone interact. energy: -1.636 local terms energy: -493.155318 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -100.966 flat angles C4'-P-C4' energy: -103.895 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -146.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1653.581211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.581211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.581211 (E_RNA) where: Base-Base interactions energy: -1143.693 where: short stacking energy: -498.980 Base-Backbone interact. energy: -3.942 local terms energy: -505.945983 where: bonds (distance) C4'-P energy: -87.070 bonds (distance) P-C4' energy: -96.806 flat angles C4'-P-C4' energy: -110.228 flat angles P-C4'-P energy: -62.081 tors. eta vs tors. theta energy: -149.760 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: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1549.122610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.122610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.122610 (E_RNA) where: Base-Base interactions energy: -1091.171 where: short stacking energy: -472.267 Base-Backbone interact. energy: 2.129 local terms energy: -460.081271 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -85.919 flat angles C4'-P-C4' energy: -103.958 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -138.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1389.294316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.294316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.294316 (E_RNA) where: Base-Base interactions energy: -964.221 where: short stacking energy: -407.679 Base-Backbone interact. energy: 0.343 local terms energy: -425.416332 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -83.232 flat angles C4'-P-C4' energy: -101.584 flat angles P-C4'-P energy: -54.830 tors. eta vs tors. theta energy: -107.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1215.624449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.624449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.624449 (E_RNA) where: Base-Base interactions energy: -836.117 where: short stacking energy: -358.762 Base-Backbone interact. energy: 2.418 local terms energy: -381.924977 where: bonds (distance) C4'-P energy: -72.327 bonds (distance) P-C4' energy: -91.108 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -83.855 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: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1069.949453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.949453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.949453 (E_RNA) where: Base-Base interactions energy: -706.399 where: short stacking energy: -311.324 Base-Backbone interact. energy: -0.657 local terms energy: -362.894013 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -88.998 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -67.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -765.179804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.179804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.179804 (E_RNA) where: Base-Base interactions energy: -436.711 where: short stacking energy: -217.913 Base-Backbone interact. energy: -1.987 local terms energy: -326.481623 where: bonds (distance) C4'-P energy: -76.673 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -83.235 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -19.344 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: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -452.046084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.046084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.046084 (E_RNA) where: Base-Base interactions energy: -189.853 where: short stacking energy: -121.885 Base-Backbone interact. energy: 2.626 local terms energy: -264.819691 where: bonds (distance) C4'-P energy: -90.122 bonds (distance) P-C4' energy: -78.168 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -32.041 tors. eta vs tors. theta energy: 0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1805.958631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.958631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.958631 (E_RNA) where: Base-Base interactions energy: -1272.153 where: short stacking energy: -517.611 Base-Backbone interact. energy: -1.789 local terms energy: -532.015858 where: bonds (distance) C4'-P energy: -96.579 bonds (distance) P-C4' energy: -104.701 flat angles C4'-P-C4' energy: -110.290 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -144.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1736.162688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.162688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.162688 (E_RNA) where: Base-Base interactions energy: -1216.556 where: short stacking energy: -504.780 Base-Backbone interact. energy: -2.097 local terms energy: -517.509426 where: bonds (distance) C4'-P energy: -100.571 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -112.149 flat angles P-C4'-P energy: -75.319 tors. eta vs tors. theta energy: -136.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1720.159833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.159833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.159833 (E_RNA) where: Base-Base interactions energy: -1168.334 where: short stacking energy: -506.498 Base-Backbone interact. energy: -2.924 local terms energy: -548.901910 where: bonds (distance) C4'-P energy: -98.415 bonds (distance) P-C4' energy: -99.904 flat angles C4'-P-C4' energy: -114.664 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -165.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1647.850200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.850200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.850200 (E_RNA) where: Base-Base interactions energy: -1115.711 where: short stacking energy: -490.487 Base-Backbone interact. energy: 1.690 local terms energy: -533.829626 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -100.819 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -149.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1531.165007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.165007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.165007 (E_RNA) where: Base-Base interactions energy: -1053.300 where: short stacking energy: -460.756 Base-Backbone interact. energy: 0.641 local terms energy: -478.505557 where: bonds (distance) C4'-P energy: -83.494 bonds (distance) P-C4' energy: -91.703 flat angles C4'-P-C4' energy: -104.144 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -133.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1374.119850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.119850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.119850 (E_RNA) where: Base-Base interactions energy: -938.738 where: short stacking energy: -394.495 Base-Backbone interact. energy: -2.493 local terms energy: -432.889490 where: bonds (distance) C4'-P energy: -85.338 bonds (distance) P-C4' energy: -78.664 flat angles C4'-P-C4' energy: -100.765 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -110.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1223.534999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.534999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.534999 (E_RNA) where: Base-Base interactions energy: -820.520 where: short stacking energy: -342.548 Base-Backbone interact. energy: -0.051 local terms energy: -402.964495 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -81.605 flat angles C4'-P-C4' energy: -99.895 flat angles P-C4'-P energy: -69.362 tors. eta vs tors. theta energy: -72.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1170.524677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.524677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.524677 (E_RNA) where: Base-Base interactions energy: -783.180 where: short stacking energy: -347.223 Base-Backbone interact. energy: 0.573 local terms energy: -387.917684 where: bonds (distance) C4'-P energy: -83.475 bonds (distance) P-C4' energy: -97.632 flat angles C4'-P-C4' energy: -92.238 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -68.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -762.660947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.660947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.660947 (E_RNA) where: Base-Base interactions energy: -454.807 where: short stacking energy: -241.114 Base-Backbone interact. energy: -1.113 local terms energy: -306.740543 where: bonds (distance) C4'-P energy: -61.302 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -79.922 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -28.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -461.293101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.293101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.293101 (E_RNA) where: Base-Base interactions energy: -206.647 where: short stacking energy: -140.609 Base-Backbone interact. energy: -0.874 local terms energy: -253.771915 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -80.634 flat angles C4'-P-C4' energy: -61.473 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: 9.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1798.705629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.705629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.705629 (E_RNA) where: Base-Base interactions energy: -1284.635 where: short stacking energy: -521.720 Base-Backbone interact. energy: 1.519 local terms energy: -515.589013 where: bonds (distance) C4'-P energy: -94.964 bonds (distance) P-C4' energy: -100.596 flat angles C4'-P-C4' energy: -109.763 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -148.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1753.897934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.897934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.897934 (E_RNA) where: Base-Base interactions energy: -1219.253 where: short stacking energy: -543.302 Base-Backbone interact. energy: -0.857 local terms energy: -533.787222 where: bonds (distance) C4'-P energy: -87.001 bonds (distance) P-C4' energy: -105.247 flat angles C4'-P-C4' energy: -111.749 flat angles P-C4'-P energy: -68.435 tors. eta vs tors. theta energy: -161.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1689.622869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.622869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.622869 (E_RNA) where: Base-Base interactions energy: -1191.895 where: short stacking energy: -475.394 Base-Backbone interact. energy: -4.659 local terms energy: -493.068172 where: bonds (distance) C4'-P energy: -95.353 bonds (distance) P-C4' energy: -97.542 flat angles C4'-P-C4' energy: -100.400 flat angles P-C4'-P energy: -69.498 tors. eta vs tors. theta energy: -130.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1645.180607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.180607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.180607 (E_RNA) where: Base-Base interactions energy: -1154.864 where: short stacking energy: -502.735 Base-Backbone interact. energy: -2.269 local terms energy: -488.047615 where: bonds (distance) C4'-P energy: -96.986 bonds (distance) P-C4' energy: -75.470 flat angles C4'-P-C4' energy: -107.456 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -150.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1562.367457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.367457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.367457 (E_RNA) where: Base-Base interactions energy: -1072.058 where: short stacking energy: -480.357 Base-Backbone interact. energy: -2.142 local terms energy: -488.167719 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -104.688 flat angles P-C4'-P energy: -60.705 tors. eta vs tors. theta energy: -131.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1396.008168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.008168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.008168 (E_RNA) where: Base-Base interactions energy: -947.156 where: short stacking energy: -406.264 Base-Backbone interact. energy: -1.516 local terms energy: -447.336166 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -89.775 flat angles C4'-P-C4' energy: -104.566 flat angles P-C4'-P energy: -62.178 tors. eta vs tors. theta energy: -106.947 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: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1289.361172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.361172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.361172 (E_RNA) where: Base-Base interactions energy: -904.840 where: short stacking energy: -368.216 Base-Backbone interact. energy: -1.896 local terms energy: -382.624896 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -88.012 flat angles C4'-P-C4' energy: -74.807 flat angles P-C4'-P energy: -62.585 tors. eta vs tors. theta energy: -87.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1180.262988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.262988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.262988 (E_RNA) where: Base-Base interactions energy: -783.534 where: short stacking energy: -344.680 Base-Backbone interact. energy: -3.476 local terms energy: -393.253084 where: bonds (distance) C4'-P energy: -72.280 bonds (distance) P-C4' energy: -93.616 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -83.701 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: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -756.145424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.145424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.145424 (E_RNA) where: Base-Base interactions energy: -429.446 where: short stacking energy: -247.036 Base-Backbone interact. energy: -1.193 local terms energy: -325.506371 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -72.824 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -35.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -516.762193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.762193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.762193 (E_RNA) where: Base-Base interactions energy: -229.847 where: short stacking energy: -152.208 Base-Backbone interact. energy: -1.798 local terms energy: -285.117602 where: bonds (distance) C4'-P energy: -66.641 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -83.382 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -5.118 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: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1804.380804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.380804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.380804 (E_RNA) where: Base-Base interactions energy: -1281.023 where: short stacking energy: -524.190 Base-Backbone interact. energy: -2.155 local terms energy: -521.202528 where: bonds (distance) C4'-P energy: -92.474 bonds (distance) P-C4' energy: -99.244 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -139.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1769.740529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.740529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.740529 (E_RNA) where: Base-Base interactions energy: -1224.932 where: short stacking energy: -549.156 Base-Backbone interact. energy: -2.198 local terms energy: -542.610099 where: bonds (distance) C4'-P energy: -91.307 bonds (distance) P-C4' energy: -97.081 flat angles C4'-P-C4' energy: -110.554 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -163.367 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: 384 Temperature: 1.000000 Total energy: -1666.610323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.610323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.610323 (E_RNA) where: Base-Base interactions energy: -1191.456 where: short stacking energy: -452.182 Base-Backbone interact. energy: -3.026 local terms energy: -472.128118 where: bonds (distance) C4'-P energy: -90.259 bonds (distance) P-C4' energy: -87.980 flat angles C4'-P-C4' energy: -105.700 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -118.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1644.717943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.717943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.717943 (E_RNA) where: Base-Base interactions energy: -1136.434 where: short stacking energy: -507.397 Base-Backbone interact. energy: -1.249 local terms energy: -507.035086 where: bonds (distance) C4'-P energy: -90.291 bonds (distance) P-C4' energy: -90.647 flat angles C4'-P-C4' energy: -104.672 flat angles P-C4'-P energy: -71.603 tors. eta vs tors. theta energy: -149.822 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: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1566.945105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.945105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.945105 (E_RNA) where: Base-Base interactions energy: -1070.587 where: short stacking energy: -473.744 Base-Backbone interact. energy: -2.362 local terms energy: -493.995390 where: bonds (distance) C4'-P energy: -75.748 bonds (distance) P-C4' energy: -98.167 flat angles C4'-P-C4' energy: -107.235 flat angles P-C4'-P energy: -72.159 tors. eta vs tors. theta energy: -140.686 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: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1378.254342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.254342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.254342 (E_RNA) where: Base-Base interactions energy: -954.128 where: short stacking energy: -396.244 Base-Backbone interact. energy: 4.094 local terms energy: -428.220864 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -95.186 flat angles C4'-P-C4' energy: -86.501 flat angles P-C4'-P energy: -55.156 tors. eta vs tors. theta energy: -105.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1227.506524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.506524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.506524 (E_RNA) where: Base-Base interactions energy: -849.839 where: short stacking energy: -364.893 Base-Backbone interact. energy: 2.072 local terms energy: -379.738695 where: bonds (distance) C4'-P energy: -70.082 bonds (distance) P-C4' energy: -78.340 flat angles C4'-P-C4' energy: -83.406 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: -91.391 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: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1146.301468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.301468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.301468 (E_RNA) where: Base-Base interactions energy: -768.492 where: short stacking energy: -336.317 Base-Backbone interact. energy: 0.817 local terms energy: -378.625497 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -76.278 flat angles C4'-P-C4' energy: -89.557 flat angles P-C4'-P energy: -49.952 tors. eta vs tors. theta energy: -79.114 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: 384 Temperature: 1.300000 Total energy: -788.488234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.488234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.488234 (E_RNA) where: Base-Base interactions energy: -473.088 where: short stacking energy: -253.019 Base-Backbone interact. energy: 2.720 local terms energy: -318.120030 where: bonds (distance) C4'-P energy: -78.358 bonds (distance) P-C4' energy: -89.658 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -30.530 tors. eta vs tors. theta energy: -42.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -498.071899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.071899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.071899 (E_RNA) where: Base-Base interactions energy: -249.293 where: short stacking energy: -158.325 Base-Backbone interact. energy: 4.326 local terms energy: -253.104462 where: bonds (distance) C4'-P energy: -61.037 bonds (distance) P-C4' energy: -86.124 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: 5.574 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: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1790.949541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.949541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.949541 (E_RNA) where: Base-Base interactions energy: -1272.162 where: short stacking energy: -502.750 Base-Backbone interact. energy: 0.341 local terms energy: -519.128884 where: bonds (distance) C4'-P energy: -95.568 bonds (distance) P-C4' energy: -93.862 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -145.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1738.285406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.285406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.285406 (E_RNA) where: Base-Base interactions energy: -1195.955 where: short stacking energy: -537.083 Base-Backbone interact. energy: -0.230 local terms energy: -542.101014 where: bonds (distance) C4'-P energy: -86.273 bonds (distance) P-C4' energy: -105.374 flat angles C4'-P-C4' energy: -108.468 flat angles P-C4'-P energy: -69.790 tors. eta vs tors. theta energy: -172.196 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: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1663.152193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.152193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.152193 (E_RNA) where: Base-Base interactions energy: -1165.922 where: short stacking energy: -475.360 Base-Backbone interact. energy: -2.176 local terms energy: -495.053616 where: bonds (distance) C4'-P energy: -97.936 bonds (distance) P-C4' energy: -99.403 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -58.155 tors. eta vs tors. theta energy: -132.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1629.084081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.084081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.084081 (E_RNA) where: Base-Base interactions energy: -1147.354 where: short stacking energy: -504.387 Base-Backbone interact. energy: 4.522 local terms energy: -486.252071 where: bonds (distance) C4'-P energy: -83.353 bonds (distance) P-C4' energy: -85.481 flat angles C4'-P-C4' energy: -109.791 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -137.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1554.378869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.378869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.378869 (E_RNA) where: Base-Base interactions energy: -1068.235 where: short stacking energy: -456.941 Base-Backbone interact. energy: -0.275 local terms energy: -485.868673 where: bonds (distance) C4'-P energy: -82.943 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -109.629 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: -140.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1394.004863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.004863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.004863 (E_RNA) where: Base-Base interactions energy: -953.837 where: short stacking energy: -385.129 Base-Backbone interact. energy: -2.098 local terms energy: -438.070462 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -96.161 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -102.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1237.876320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.876320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.876320 (E_RNA) where: Base-Base interactions energy: -816.418 where: short stacking energy: -351.830 Base-Backbone interact. energy: -1.036 local terms energy: -420.423053 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -90.423 flat angles C4'-P-C4' energy: -87.651 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -81.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1171.617765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.617765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.617765 (E_RNA) where: Base-Base interactions energy: -787.348 where: short stacking energy: -352.826 Base-Backbone interact. energy: 2.085 local terms energy: -386.354487 where: bonds (distance) C4'-P energy: -77.680 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -81.952 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -91.425 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -793.095680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.095680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.095680 (E_RNA) where: Base-Base interactions energy: -487.614 where: short stacking energy: -241.867 Base-Backbone interact. energy: -0.297 local terms energy: -305.184273 where: bonds (distance) C4'-P energy: -84.820 bonds (distance) P-C4' energy: -73.803 flat angles C4'-P-C4' energy: -66.178 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: -19.142 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: 385 Temperature: 1.350000 Total energy: -463.789993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.789993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.789993 (E_RNA) where: Base-Base interactions energy: -220.958 where: short stacking energy: -156.121 Base-Backbone interact. energy: -2.047 local terms energy: -240.785217 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -78.981 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -38.831 tors. eta vs tors. theta energy: 17.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1798.861411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.861411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.861411 (E_RNA) where: Base-Base interactions energy: -1265.610 where: short stacking energy: -505.590 Base-Backbone interact. energy: -2.427 local terms energy: -530.824652 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -102.732 flat angles C4'-P-C4' energy: -120.309 flat angles P-C4'-P energy: -79.753 tors. eta vs tors. theta energy: -139.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1743.442742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.442742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.442742 (E_RNA) where: Base-Base interactions energy: -1231.755 where: short stacking energy: -530.993 Base-Backbone interact. energy: 1.841 local terms energy: -513.527988 where: bonds (distance) C4'-P energy: -78.033 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -106.142 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -162.089 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: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1701.630610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.630610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.630610 (E_RNA) where: Base-Base interactions energy: -1198.003 where: short stacking energy: -509.323 Base-Backbone interact. energy: -2.487 local terms energy: -501.140509 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -83.591 flat angles C4'-P-C4' energy: -109.215 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -152.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1617.733353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.733353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.733353 (E_RNA) where: Base-Base interactions energy: -1159.929 where: short stacking energy: -447.577 Base-Backbone interact. energy: -1.476 local terms energy: -456.328428 where: bonds (distance) C4'-P energy: -87.734 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -94.755 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -127.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1518.775607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.775607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.775607 (E_RNA) where: Base-Base interactions energy: -1031.621 where: short stacking energy: -429.903 Base-Backbone interact. energy: -1.437 local terms energy: -485.718006 where: bonds (distance) C4'-P energy: -86.862 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -100.357 flat angles P-C4'-P energy: -76.331 tors. eta vs tors. theta energy: -126.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1401.555191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.555191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.555191 (E_RNA) where: Base-Base interactions energy: -940.581 where: short stacking energy: -399.136 Base-Backbone interact. energy: -2.197 local terms energy: -458.777504 where: bonds (distance) C4'-P energy: -83.412 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -110.433 flat angles P-C4'-P energy: -59.562 tors. eta vs tors. theta energy: -116.288 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: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1196.725302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.725302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.725302 (E_RNA) where: Base-Base interactions energy: -819.883 where: short stacking energy: -354.514 Base-Backbone interact. energy: 1.160 local terms energy: -378.002021 where: bonds (distance) C4'-P energy: -60.798 bonds (distance) P-C4' energy: -83.285 flat angles C4'-P-C4' energy: -90.490 flat angles P-C4'-P energy: -68.380 tors. eta vs tors. theta energy: -75.049 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: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1186.728473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.728473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.728473 (E_RNA) where: Base-Base interactions energy: -797.008 where: short stacking energy: -364.137 Base-Backbone interact. energy: -0.565 local terms energy: -389.155746 where: bonds (distance) C4'-P energy: -81.555 bonds (distance) P-C4' energy: -72.468 flat angles C4'-P-C4' energy: -83.385 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: -88.327 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: 386 Temperature: 1.300000 Total energy: -928.362448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.362448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.362448 (E_RNA) where: Base-Base interactions energy: -609.579 where: short stacking energy: -270.083 Base-Backbone interact. energy: 2.432 local terms energy: -321.215871 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -78.780 flat angles C4'-P-C4' energy: -84.703 flat angles P-C4'-P energy: -41.295 tors. eta vs tors. theta energy: -52.380 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: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -453.642345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.642345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.642345 (E_RNA) where: Base-Base interactions energy: -209.119 where: short stacking energy: -150.134 Base-Backbone interact. energy: -1.377 local terms energy: -243.146481 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -77.451 flat angles P-C4'-P energy: -26.747 tors. eta vs tors. theta energy: 9.625 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: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1802.679505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.679505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.679505 (E_RNA) where: Base-Base interactions energy: -1277.401 where: short stacking energy: -530.636 Base-Backbone interact. energy: -1.976 local terms energy: -523.302440 where: bonds (distance) C4'-P energy: -87.419 bonds (distance) P-C4' energy: -101.445 flat angles C4'-P-C4' energy: -110.698 flat angles P-C4'-P energy: -74.111 tors. eta vs tors. theta energy: -149.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1737.973970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.973970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.973970 (E_RNA) where: Base-Base interactions energy: -1196.697 where: short stacking energy: -541.467 Base-Backbone interact. energy: -3.114 local terms energy: -538.163588 where: bonds (distance) C4'-P energy: -92.666 bonds (distance) P-C4' energy: -107.622 flat angles C4'-P-C4' energy: -111.995 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: -161.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1722.205090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.205090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.205090 (E_RNA) where: Base-Base interactions energy: -1202.480 where: short stacking energy: -535.232 Base-Backbone interact. energy: 2.204 local terms energy: -521.928968 where: bonds (distance) C4'-P energy: -87.507 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -105.405 flat angles P-C4'-P energy: -76.833 tors. eta vs tors. theta energy: -160.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1641.722023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.722023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.722023 (E_RNA) where: Base-Base interactions energy: -1174.159 where: short stacking energy: -469.727 Base-Backbone interact. energy: 1.176 local terms energy: -468.738420 where: bonds (distance) C4'-P energy: -82.587 bonds (distance) P-C4' energy: -82.929 flat angles C4'-P-C4' energy: -103.933 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -137.163 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: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1549.427600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.427600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.427600 (E_RNA) where: Base-Base interactions energy: -1071.438 where: short stacking energy: -490.649 Base-Backbone interact. energy: -2.463 local terms energy: -475.527053 where: bonds (distance) C4'-P energy: -73.878 bonds (distance) P-C4' energy: -89.480 flat angles C4'-P-C4' energy: -107.910 flat angles P-C4'-P energy: -65.019 tors. eta vs tors. theta energy: -139.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1424.483549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.483549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.483549 (E_RNA) where: Base-Base interactions energy: -954.356 where: short stacking energy: -396.421 Base-Backbone interact. energy: -0.967 local terms energy: -469.160029 where: bonds (distance) C4'-P energy: -92.173 bonds (distance) P-C4' energy: -96.856 flat angles C4'-P-C4' energy: -96.742 flat angles P-C4'-P energy: -66.573 tors. eta vs tors. theta energy: -116.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1230.682405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.682405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.682405 (E_RNA) where: Base-Base interactions energy: -810.581 where: short stacking energy: -363.997 Base-Backbone interact. energy: -1.474 local terms energy: -418.627369 where: bonds (distance) C4'-P energy: -76.074 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -91.928 flat angles P-C4'-P energy: -69.208 tors. eta vs tors. theta energy: -93.244 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: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1185.150508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.150508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.150508 (E_RNA) where: Base-Base interactions energy: -790.526 where: short stacking energy: -365.696 Base-Backbone interact. energy: -0.846 local terms energy: -393.779335 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -76.847 flat angles C4'-P-C4' energy: -84.257 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -93.135 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: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -848.449549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.449549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.449549 (E_RNA) where: Base-Base interactions energy: -514.594 where: short stacking energy: -244.810 Base-Backbone interact. energy: 0.219 local terms energy: -334.074682 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -96.669 flat angles C4'-P-C4' energy: -82.588 flat angles P-C4'-P energy: -41.130 tors. eta vs tors. theta energy: -44.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -502.726787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.726787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.726787 (E_RNA) where: Base-Base interactions energy: -225.881 where: short stacking energy: -144.453 Base-Backbone interact. energy: -0.952 local terms energy: -275.893727 where: bonds (distance) C4'-P energy: -71.612 bonds (distance) P-C4' energy: -95.232 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: 10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1802.791979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.791979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.791979 (E_RNA) where: Base-Base interactions energy: -1281.707 where: short stacking energy: -530.076 Base-Backbone interact. energy: -2.230 local terms energy: -518.854470 where: bonds (distance) C4'-P energy: -87.257 bonds (distance) P-C4' energy: -98.253 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -73.501 tors. eta vs tors. theta energy: -149.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1730.812759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.812759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.812759 (E_RNA) where: Base-Base interactions energy: -1187.305 where: short stacking energy: -525.543 Base-Backbone interact. energy: -1.916 local terms energy: -541.592358 where: bonds (distance) C4'-P energy: -107.267 bonds (distance) P-C4' energy: -98.384 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -156.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1709.243714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.243714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.243714 (E_RNA) where: Base-Base interactions energy: -1190.457 where: short stacking energy: -518.149 Base-Backbone interact. energy: -2.815 local terms energy: -515.971571 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -89.752 flat angles C4'-P-C4' energy: -103.420 flat angles P-C4'-P energy: -77.047 tors. eta vs tors. theta energy: -155.378 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: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1634.770073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.770073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.770073 (E_RNA) where: Base-Base interactions energy: -1161.576 where: short stacking energy: -483.132 Base-Backbone interact. energy: -0.533 local terms energy: -472.660885 where: bonds (distance) C4'-P energy: -73.934 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -107.867 flat angles P-C4'-P energy: -64.994 tors. eta vs tors. theta energy: -137.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1563.912998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.912998 (E_RNA) where: Base-Base interactions energy: -1085.071 where: short stacking energy: -475.903 Base-Backbone interact. energy: -1.591 local terms energy: -477.250882 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -96.426 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -134.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1437.990967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.990967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.990967 (E_RNA) where: Base-Base interactions energy: -1003.430 where: short stacking energy: -397.280 Base-Backbone interact. energy: -1.793 local terms energy: -432.767774 where: bonds (distance) C4'-P energy: -90.927 bonds (distance) P-C4' energy: -93.539 flat angles C4'-P-C4' energy: -103.270 flat angles P-C4'-P energy: -41.362 tors. eta vs tors. theta energy: -103.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1273.178896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.178896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.178896 (E_RNA) where: Base-Base interactions energy: -869.046 where: short stacking energy: -371.638 Base-Backbone interact. energy: 1.221 local terms energy: -405.354327 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -85.478 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -55.556 tors. eta vs tors. theta energy: -89.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1135.404731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.404731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.404731 (E_RNA) where: Base-Base interactions energy: -749.589 where: short stacking energy: -351.003 Base-Backbone interact. energy: -0.444 local terms energy: -385.372269 where: bonds (distance) C4'-P energy: -80.206 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -79.501 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -73.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -778.247442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.247442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.247442 (E_RNA) where: Base-Base interactions energy: -451.931 where: short stacking energy: -225.628 Base-Backbone interact. energy: -2.490 local terms energy: -323.826245 where: bonds (distance) C4'-P energy: -74.243 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -74.376 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -36.394 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: 388 Temperature: 1.350000 Total energy: -484.629253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.629253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.629253 (E_RNA) where: Base-Base interactions energy: -238.786 where: short stacking energy: -143.674 Base-Backbone interact. energy: -0.468 local terms energy: -245.375320 where: bonds (distance) C4'-P energy: -80.414 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -44.757 flat angles P-C4'-P energy: -33.131 tors. eta vs tors. theta energy: 3.273 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: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1800.940601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.940601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.940601 (E_RNA) where: Base-Base interactions energy: -1280.488 where: short stacking energy: -520.345 Base-Backbone interact. energy: -2.994 local terms energy: -517.459530 where: bonds (distance) C4'-P energy: -94.020 bonds (distance) P-C4' energy: -96.540 flat angles C4'-P-C4' energy: -109.296 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -149.021 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: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1721.350301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.350301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.350301 (E_RNA) where: Base-Base interactions energy: -1193.384 where: short stacking energy: -522.587 Base-Backbone interact. energy: -2.242 local terms energy: -525.723739 where: bonds (distance) C4'-P energy: -81.148 bonds (distance) P-C4' energy: -110.559 flat angles C4'-P-C4' energy: -112.042 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -148.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1691.387808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.387808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.387808 (E_RNA) where: Base-Base interactions energy: -1189.908 where: short stacking energy: -498.624 Base-Backbone interact. energy: -0.441 local terms energy: -501.037977 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -82.629 flat angles C4'-P-C4' energy: -110.377 flat angles P-C4'-P energy: -74.431 tors. eta vs tors. theta energy: -140.031 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: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1649.509278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.509278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.509278 (E_RNA) where: Base-Base interactions energy: -1171.424 where: short stacking energy: -480.095 Base-Backbone interact. energy: -2.266 local terms energy: -475.819012 where: bonds (distance) C4'-P energy: -91.042 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -105.536 flat angles P-C4'-P energy: -67.326 tors. eta vs tors. theta energy: -126.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1532.865708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.865708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.865708 (E_RNA) where: Base-Base interactions energy: -1047.752 where: short stacking energy: -456.791 Base-Backbone interact. energy: -0.660 local terms energy: -484.453111 where: bonds (distance) C4'-P energy: -105.141 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -94.628 flat angles P-C4'-P energy: -64.657 tors. eta vs tors. theta energy: -129.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1443.703096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.703096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.703096 (E_RNA) where: Base-Base interactions energy: -992.812 where: short stacking energy: -428.959 Base-Backbone interact. energy: -1.324 local terms energy: -449.567207 where: bonds (distance) C4'-P energy: -93.590 bonds (distance) P-C4' energy: -86.530 flat angles C4'-P-C4' energy: -100.239 flat angles P-C4'-P energy: -55.156 tors. eta vs tors. theta energy: -114.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1297.338913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.338913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.338913 (E_RNA) where: Base-Base interactions energy: -888.964 where: short stacking energy: -363.596 Base-Backbone interact. energy: -1.238 local terms energy: -407.136686 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -92.692 flat angles C4'-P-C4' energy: -88.945 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: -88.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1147.193884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.193884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.193884 (E_RNA) where: Base-Base interactions energy: -738.744 where: short stacking energy: -311.383 Base-Backbone interact. energy: 4.357 local terms energy: -412.807485 where: bonds (distance) C4'-P energy: -82.743 bonds (distance) P-C4' energy: -91.027 flat angles C4'-P-C4' energy: -86.605 flat angles P-C4'-P energy: -71.911 tors. eta vs tors. theta energy: -80.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -760.510502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.510502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.510502 (E_RNA) where: Base-Base interactions energy: -438.131 where: short stacking energy: -217.898 Base-Backbone interact. energy: -0.289 local terms energy: -322.091228 where: bonds (distance) C4'-P energy: -78.664 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -35.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -499.150749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.150749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.150749 (E_RNA) where: Base-Base interactions energy: -231.913 where: short stacking energy: -164.176 Base-Backbone interact. energy: 4.224 local terms energy: -271.461810 where: bonds (distance) C4'-P energy: -71.950 bonds (distance) P-C4' energy: -62.224 flat angles C4'-P-C4' energy: -80.522 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1788.787166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.787166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.787166 (E_RNA) where: Base-Base interactions energy: -1270.651 where: short stacking energy: -502.920 Base-Backbone interact. energy: -3.703 local terms energy: -514.433360 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -101.410 flat angles C4'-P-C4' energy: -100.088 flat angles P-C4'-P energy: -76.443 tors. eta vs tors. theta energy: -139.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1724.642671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.642671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.642671 (E_RNA) where: Base-Base interactions energy: -1179.173 where: short stacking energy: -533.159 Base-Backbone interact. energy: -3.872 local terms energy: -541.597490 where: bonds (distance) C4'-P energy: -95.120 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -105.372 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -161.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1729.775391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.775391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.775391 (E_RNA) where: Base-Base interactions energy: -1183.468 where: short stacking energy: -509.050 Base-Backbone interact. energy: -2.112 local terms energy: -544.195557 where: bonds (distance) C4'-P energy: -91.014 bonds (distance) P-C4' energy: -104.106 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -74.280 tors. eta vs tors. theta energy: -161.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1651.523537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.523537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.523537 (E_RNA) where: Base-Base interactions energy: -1157.363 where: short stacking energy: -468.383 Base-Backbone interact. energy: -2.276 local terms energy: -491.884495 where: bonds (distance) C4'-P energy: -90.274 bonds (distance) P-C4' energy: -94.731 flat angles C4'-P-C4' energy: -106.782 flat angles P-C4'-P energy: -64.839 tors. eta vs tors. theta energy: -135.258 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: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1546.944533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.944533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.944533 (E_RNA) where: Base-Base interactions energy: -1059.150 where: short stacking energy: -453.131 Base-Backbone interact. energy: -2.107 local terms energy: -485.687793 where: bonds (distance) C4'-P energy: -82.017 bonds (distance) P-C4' energy: -90.123 flat angles C4'-P-C4' energy: -111.590 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -136.576 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: 390 Temperature: 1.150000 Total energy: -1362.586043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.586043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.586043 (E_RNA) where: Base-Base interactions energy: -917.370 where: short stacking energy: -417.424 Base-Backbone interact. energy: 1.179 local terms energy: -446.394527 where: bonds (distance) C4'-P energy: -83.309 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -102.599 flat angles P-C4'-P energy: -75.514 tors. eta vs tors. theta energy: -109.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1278.598147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.598147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.598147 (E_RNA) where: Base-Base interactions energy: -880.853 where: short stacking energy: -344.402 Base-Backbone interact. energy: -2.351 local terms energy: -395.394510 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -66.791 flat angles C4'-P-C4' energy: -87.158 flat angles P-C4'-P energy: -71.350 tors. eta vs tors. theta energy: -93.697 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: 390 Temperature: 1.250000 Total energy: -1144.525855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.525855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.525855 (E_RNA) where: Base-Base interactions energy: -755.966 where: short stacking energy: -340.818 Base-Backbone interact. energy: 0.487 local terms energy: -389.047036 where: bonds (distance) C4'-P energy: -83.316 bonds (distance) P-C4' energy: -86.767 flat angles C4'-P-C4' energy: -88.803 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -79.689 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: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -762.426544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.426544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.426544 (E_RNA) where: Base-Base interactions energy: -468.381 where: short stacking energy: -216.942 Base-Backbone interact. energy: 0.138 local terms energy: -294.183989 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -79.932 flat angles C4'-P-C4' energy: -60.370 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -25.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -485.617370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.617370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.617370 (E_RNA) where: Base-Base interactions energy: -220.157 where: short stacking energy: -141.338 Base-Backbone interact. energy: -1.278 local terms energy: -264.182650 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -96.753 flat angles C4'-P-C4' energy: -64.080 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: 9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1795.773705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.773705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.773705 (E_RNA) where: Base-Base interactions energy: -1275.363 where: short stacking energy: -519.775 Base-Backbone interact. energy: -2.202 local terms energy: -518.208385 where: bonds (distance) C4'-P energy: -96.153 bonds (distance) P-C4' energy: -96.837 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -141.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1765.418263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.418263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.418263 (E_RNA) where: Base-Base interactions energy: -1220.521 where: short stacking energy: -524.732 Base-Backbone interact. energy: -0.633 local terms energy: -544.263685 where: bonds (distance) C4'-P energy: -95.667 bonds (distance) P-C4' energy: -96.095 flat angles C4'-P-C4' energy: -115.469 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -163.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1682.637667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.637667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.637667 (E_RNA) where: Base-Base interactions energy: -1162.464 where: short stacking energy: -505.227 Base-Backbone interact. energy: -1.590 local terms energy: -518.583227 where: bonds (distance) C4'-P energy: -96.240 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -74.700 tors. eta vs tors. theta energy: -150.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1650.183587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.183587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.183587 (E_RNA) where: Base-Base interactions energy: -1167.588 where: short stacking energy: -468.069 Base-Backbone interact. energy: -2.265 local terms energy: -480.330699 where: bonds (distance) C4'-P energy: -88.166 bonds (distance) P-C4' energy: -100.102 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -57.126 tors. eta vs tors. theta energy: -132.093 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: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1548.962158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.962158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.962158 (E_RNA) where: Base-Base interactions energy: -1071.386 where: short stacking energy: -474.634 Base-Backbone interact. energy: -1.608 local terms energy: -475.967671 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -90.370 flat angles C4'-P-C4' energy: -99.183 flat angles P-C4'-P energy: -61.987 tors. eta vs tors. theta energy: -136.292 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: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1388.325214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.325214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.325214 (E_RNA) where: Base-Base interactions energy: -948.587 where: short stacking energy: -387.293 Base-Backbone interact. energy: -0.019 local terms energy: -439.719222 where: bonds (distance) C4'-P energy: -76.029 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -96.804 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -112.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1315.580460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.580460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.580460 (E_RNA) where: Base-Base interactions energy: -912.071 where: short stacking energy: -362.643 Base-Backbone interact. energy: -0.020 local terms energy: -403.489184 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -77.811 flat angles C4'-P-C4' energy: -91.113 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: -99.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1132.295520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.295520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.295520 (E_RNA) where: Base-Base interactions energy: -759.288 where: short stacking energy: -336.017 Base-Backbone interact. energy: 2.904 local terms energy: -375.910974 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -80.789 flat angles C4'-P-C4' energy: -83.828 flat angles P-C4'-P energy: -64.117 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: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -753.352635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.352635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.352635 (E_RNA) where: Base-Base interactions energy: -471.520 where: short stacking energy: -220.435 Base-Backbone interact. energy: 1.259 local terms energy: -283.091921 where: bonds (distance) C4'-P energy: -79.074 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -30.935 tors. eta vs tors. theta energy: -23.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -469.836799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.836799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.836799 (E_RNA) where: Base-Base interactions energy: -210.576 where: short stacking energy: -146.444 Base-Backbone interact. energy: -1.363 local terms energy: -257.898429 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: 9.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1802.618473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.618473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.618473 (E_RNA) where: Base-Base interactions energy: -1296.861 where: short stacking energy: -525.620 Base-Backbone interact. energy: -3.619 local terms energy: -502.138402 where: bonds (distance) C4'-P energy: -89.627 bonds (distance) P-C4' energy: -103.264 flat angles C4'-P-C4' energy: -101.509 flat angles P-C4'-P energy: -65.143 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: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1741.326970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.326970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.326970 (E_RNA) where: Base-Base interactions energy: -1201.862 where: short stacking energy: -503.840 Base-Backbone interact. energy: -1.620 local terms energy: -537.845319 where: bonds (distance) C4'-P energy: -91.853 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -113.961 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -157.521 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1681.948889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.948889 (E_RNA) where: Base-Base interactions energy: -1176.690 where: short stacking energy: -474.988 Base-Backbone interact. energy: -5.246 local terms energy: -500.013405 where: bonds (distance) C4'-P energy: -91.618 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -110.420 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: -137.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1678.049241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.049241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.049241 (E_RNA) where: Base-Base interactions energy: -1170.788 where: short stacking energy: -501.137 Base-Backbone interact. energy: -2.250 local terms energy: -505.011418 where: bonds (distance) C4'-P energy: -78.596 bonds (distance) P-C4' energy: -99.583 flat angles C4'-P-C4' energy: -103.857 flat angles P-C4'-P energy: -63.920 tors. eta vs tors. theta energy: -159.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1538.964405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.964405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.964405 (E_RNA) where: Base-Base interactions energy: -1051.379 where: short stacking energy: -460.819 Base-Backbone interact. energy: -2.348 local terms energy: -485.237087 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -106.729 flat angles C4'-P-C4' energy: -95.251 flat angles P-C4'-P energy: -72.359 tors. eta vs tors. theta energy: -132.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1442.747960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.747960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.747960 (E_RNA) where: Base-Base interactions energy: -1017.718 where: short stacking energy: -404.658 Base-Backbone interact. energy: 0.259 local terms energy: -425.289158 where: bonds (distance) C4'-P energy: -90.751 bonds (distance) P-C4' energy: -86.380 flat angles C4'-P-C4' energy: -94.555 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -103.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1324.918997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.918997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.918997 (E_RNA) where: Base-Base interactions energy: -918.074 where: short stacking energy: -344.508 Base-Backbone interact. energy: -1.767 local terms energy: -405.077028 where: bonds (distance) C4'-P energy: -77.895 bonds (distance) P-C4' energy: -74.313 flat angles C4'-P-C4' energy: -95.050 flat angles P-C4'-P energy: -67.557 tors. eta vs tors. theta energy: -90.262 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: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1098.104352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.104352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.104352 (E_RNA) where: Base-Base interactions energy: -720.064 where: short stacking energy: -300.638 Base-Backbone interact. energy: -1.646 local terms energy: -376.394464 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -88.079 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -61.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -773.799190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.799190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.799190 (E_RNA) where: Base-Base interactions energy: -482.125 where: short stacking energy: -228.398 Base-Backbone interact. energy: 2.381 local terms energy: -294.054910 where: bonds (distance) C4'-P energy: -89.311 bonds (distance) P-C4' energy: -70.880 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -31.898 tors. eta vs tors. theta energy: -29.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -501.583796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.583796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.583796 (E_RNA) where: Base-Base interactions energy: -221.471 where: short stacking energy: -158.925 Base-Backbone interact. energy: -1.887 local terms energy: -278.225457 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -87.378 flat angles C4'-P-C4' energy: -59.380 flat angles P-C4'-P energy: -37.187 tors. eta vs tors. theta energy: -10.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1793.360515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.360515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.360515 (E_RNA) where: Base-Base interactions energy: -1271.625 where: short stacking energy: -511.602 Base-Backbone interact. energy: -2.172 local terms energy: -519.563890 where: bonds (distance) C4'-P energy: -94.028 bonds (distance) P-C4' energy: -97.304 flat angles C4'-P-C4' energy: -114.333 flat angles P-C4'-P energy: -72.827 tors. eta vs tors. theta energy: -141.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1765.874621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.874621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.874621 (E_RNA) where: Base-Base interactions energy: -1225.564 where: short stacking energy: -539.310 Base-Backbone interact. energy: -2.379 local terms energy: -537.931676 where: bonds (distance) C4'-P energy: -93.306 bonds (distance) P-C4' energy: -89.659 flat angles C4'-P-C4' energy: -113.926 flat angles P-C4'-P energy: -77.664 tors. eta vs tors. theta energy: -163.376 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: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1696.311236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.311236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.311236 (E_RNA) where: Base-Base interactions energy: -1200.570 where: short stacking energy: -485.070 Base-Backbone interact. energy: 3.010 local terms energy: -498.750940 where: bonds (distance) C4'-P energy: -95.268 bonds (distance) P-C4' energy: -88.681 flat angles C4'-P-C4' energy: -103.354 flat angles P-C4'-P energy: -71.659 tors. eta vs tors. theta energy: -139.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1628.828021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.828021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.828021 (E_RNA) where: Base-Base interactions energy: -1135.089 where: short stacking energy: -494.258 Base-Backbone interact. energy: -3.327 local terms energy: -490.411693 where: bonds (distance) C4'-P energy: -82.755 bonds (distance) P-C4' energy: -81.046 flat angles C4'-P-C4' energy: -113.706 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -150.657 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: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1536.443600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.443600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.443600 (E_RNA) where: Base-Base interactions energy: -1070.959 where: short stacking energy: -468.130 Base-Backbone interact. energy: -3.457 local terms energy: -462.027989 where: bonds (distance) C4'-P energy: -76.508 bonds (distance) P-C4' energy: -87.629 flat angles C4'-P-C4' energy: -97.482 flat angles P-C4'-P energy: -67.554 tors. eta vs tors. theta energy: -132.855 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: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1361.912010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.912010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.912010 (E_RNA) where: Base-Base interactions energy: -917.134 where: short stacking energy: -388.465 Base-Backbone interact. energy: -2.253 local terms energy: -442.524679 where: bonds (distance) C4'-P energy: -80.557 bonds (distance) P-C4' energy: -88.891 flat angles C4'-P-C4' energy: -99.896 flat angles P-C4'-P energy: -68.633 tors. eta vs tors. theta energy: -104.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1297.690449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.690449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.690449 (E_RNA) where: Base-Base interactions energy: -885.184 where: short stacking energy: -358.053 Base-Backbone interact. energy: -1.732 local terms energy: -410.774368 where: bonds (distance) C4'-P energy: -76.894 bonds (distance) P-C4' energy: -90.024 flat angles C4'-P-C4' energy: -94.809 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -85.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1147.920035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.920035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.920035 (E_RNA) where: Base-Base interactions energy: -771.564 where: short stacking energy: -341.102 Base-Backbone interact. energy: -1.571 local terms energy: -374.785403 where: bonds (distance) C4'-P energy: -78.084 bonds (distance) P-C4' energy: -76.469 flat angles C4'-P-C4' energy: -97.101 flat angles P-C4'-P energy: -53.320 tors. eta vs tors. theta energy: -69.810 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: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -768.685482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.685482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.685482 (E_RNA) where: Base-Base interactions energy: -454.963 where: short stacking energy: -239.522 Base-Backbone interact. energy: 0.168 local terms energy: -313.890899 where: bonds (distance) C4'-P energy: -74.902 bonds (distance) P-C4' energy: -76.055 flat angles C4'-P-C4' energy: -74.283 flat angles P-C4'-P energy: -48.499 tors. eta vs tors. theta energy: -40.152 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: 393 Temperature: 1.350000 Total energy: -464.355294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.355294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.355294 (E_RNA) where: Base-Base interactions energy: -166.916 where: short stacking energy: -113.361 Base-Backbone interact. energy: 3.685 local terms energy: -301.124223 where: bonds (distance) C4'-P energy: -88.299 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -75.257 flat angles P-C4'-P energy: -44.571 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1804.714925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.714925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.714925 (E_RNA) where: Base-Base interactions energy: -1256.750 where: short stacking energy: -514.906 Base-Backbone interact. energy: -2.776 local terms energy: -545.189028 where: bonds (distance) C4'-P energy: -102.787 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -140.455 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: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1738.302841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.302841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.302841 (E_RNA) where: Base-Base interactions energy: -1184.288 where: short stacking energy: -524.898 Base-Backbone interact. energy: -0.171 local terms energy: -553.843468 where: bonds (distance) C4'-P energy: -96.798 bonds (distance) P-C4' energy: -92.143 flat angles C4'-P-C4' energy: -118.080 flat angles P-C4'-P energy: -89.969 tors. eta vs tors. theta energy: -156.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1656.574153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.574153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.574153 (E_RNA) where: Base-Base interactions energy: -1166.675 where: short stacking energy: -477.482 Base-Backbone interact. energy: -3.312 local terms energy: -486.587243 where: bonds (distance) C4'-P energy: -81.770 bonds (distance) P-C4' energy: -96.847 flat angles C4'-P-C4' energy: -110.555 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -135.729 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: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1625.162189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.162189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.162189 (E_RNA) where: Base-Base interactions energy: -1142.667 where: short stacking energy: -493.926 Base-Backbone interact. energy: -1.091 local terms energy: -481.404532 where: bonds (distance) C4'-P energy: -101.540 bonds (distance) P-C4' energy: -88.684 flat angles C4'-P-C4' energy: -109.637 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: -130.229 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: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1548.826720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.826720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.826720 (E_RNA) where: Base-Base interactions energy: -1070.075 where: short stacking energy: -462.619 Base-Backbone interact. energy: -0.050 local terms energy: -478.701490 where: bonds (distance) C4'-P energy: -93.044 bonds (distance) P-C4' energy: -84.054 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -140.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1373.556354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.556354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.556354 (E_RNA) where: Base-Base interactions energy: -943.778 where: short stacking energy: -423.837 Base-Backbone interact. energy: -1.927 local terms energy: -427.851067 where: bonds (distance) C4'-P energy: -73.342 bonds (distance) P-C4' energy: -88.184 flat angles C4'-P-C4' energy: -93.263 flat angles P-C4'-P energy: -57.947 tors. eta vs tors. theta energy: -115.115 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: 394 Temperature: 1.200000 Total energy: -1268.073778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.073778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.073778 (E_RNA) where: Base-Base interactions energy: -870.915 where: short stacking energy: -343.656 Base-Backbone interact. energy: -1.792 local terms energy: -395.366690 where: bonds (distance) C4'-P energy: -79.250 bonds (distance) P-C4' energy: -88.570 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -60.064 tors. eta vs tors. theta energy: -73.049 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: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1135.361396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.361396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.361396 (E_RNA) where: Base-Base interactions energy: -743.660 where: short stacking energy: -317.469 Base-Backbone interact. energy: -0.698 local terms energy: -391.002878 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -84.573 flat angles C4'-P-C4' energy: -91.357 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: -75.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -835.228505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.228505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.228505 (E_RNA) where: Base-Base interactions energy: -527.059 where: short stacking energy: -264.508 Base-Backbone interact. energy: -0.597 local terms energy: -307.573136 where: bonds (distance) C4'-P energy: -78.577 bonds (distance) P-C4' energy: -86.334 flat angles C4'-P-C4' energy: -62.066 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -38.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -564.743163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.743163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.743163 (E_RNA) where: Base-Base interactions energy: -303.160 where: short stacking energy: -186.618 Base-Backbone interact. energy: 0.252 local terms energy: -261.835147 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -83.997 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -4.316 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: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1819.977628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.977628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.977628 (E_RNA) where: Base-Base interactions energy: -1292.964 where: short stacking energy: -543.339 Base-Backbone interact. energy: -1.187 local terms energy: -525.826658 where: bonds (distance) C4'-P energy: -102.703 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -110.324 flat angles P-C4'-P energy: -71.062 tors. eta vs tors. theta energy: -147.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1766.110962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.110962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.110962 (E_RNA) where: Base-Base interactions energy: -1228.547 where: short stacking energy: -537.365 Base-Backbone interact. energy: -2.515 local terms energy: -535.049007 where: bonds (distance) C4'-P energy: -92.611 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -86.786 tors. eta vs tors. theta energy: -154.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1650.853810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.853810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.853810 (E_RNA) where: Base-Base interactions energy: -1156.804 where: short stacking energy: -485.774 Base-Backbone interact. energy: -1.089 local terms energy: -492.960425 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -98.727 flat angles C4'-P-C4' energy: -102.583 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -126.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1559.044851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.044851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.044851 (E_RNA) where: Base-Base interactions energy: -1076.172 where: short stacking energy: -475.977 Base-Backbone interact. energy: -1.222 local terms energy: -481.650715 where: bonds (distance) C4'-P energy: -88.514 bonds (distance) P-C4' energy: -90.077 flat angles C4'-P-C4' energy: -103.872 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -133.530 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: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1580.114483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.114483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.114483 (E_RNA) where: Base-Base interactions energy: -1088.407 where: short stacking energy: -470.442 Base-Backbone interact. energy: -1.990 local terms energy: -489.718064 where: bonds (distance) C4'-P energy: -94.743 bonds (distance) P-C4' energy: -80.131 flat angles C4'-P-C4' energy: -103.664 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: -140.319 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: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1345.840992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.840992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.840992 (E_RNA) where: Base-Base interactions energy: -905.127 where: short stacking energy: -402.512 Base-Backbone interact. energy: 0.256 local terms energy: -440.970599 where: bonds (distance) C4'-P energy: -99.252 bonds (distance) P-C4' energy: -79.551 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: -119.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1281.855608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.855608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.855608 (E_RNA) where: Base-Base interactions energy: -904.224 where: short stacking energy: -392.800 Base-Backbone interact. energy: -1.704 local terms energy: -375.927711 where: bonds (distance) C4'-P energy: -78.182 bonds (distance) P-C4' energy: -79.738 flat angles C4'-P-C4' energy: -82.667 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -89.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1120.419988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.419988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.419988 (E_RNA) where: Base-Base interactions energy: -781.997 where: short stacking energy: -353.065 Base-Backbone interact. energy: -2.640 local terms energy: -335.782804 where: bonds (distance) C4'-P energy: -69.069 bonds (distance) P-C4' energy: -64.466 flat angles C4'-P-C4' energy: -69.218 flat angles P-C4'-P energy: -56.854 tors. eta vs tors. theta energy: -76.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -861.690706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.690706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.690706 (E_RNA) where: Base-Base interactions energy: -516.066 where: short stacking energy: -257.237 Base-Backbone interact. energy: 4.579 local terms energy: -350.203719 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -83.509 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -58.062 tors. eta vs tors. theta energy: -41.770 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: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -493.517228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.517228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.517228 (E_RNA) where: Base-Base interactions energy: -231.799 where: short stacking energy: -135.500 Base-Backbone interact. energy: -1.622 local terms energy: -260.095995 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -71.686 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1811.693550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.693550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.693550 (E_RNA) where: Base-Base interactions energy: -1285.379 where: short stacking energy: -527.282 Base-Backbone interact. energy: -2.538 local terms energy: -523.776868 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -99.730 flat angles C4'-P-C4' energy: -117.771 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -136.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1763.359312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.359312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.359312 (E_RNA) where: Base-Base interactions energy: -1208.737 where: short stacking energy: -518.564 Base-Backbone interact. energy: -0.676 local terms energy: -553.946059 where: bonds (distance) C4'-P energy: -105.299 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -112.527 flat angles P-C4'-P energy: -72.577 tors. eta vs tors. theta energy: -161.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1681.081577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.081577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.081577 (E_RNA) where: Base-Base interactions energy: -1200.862 where: short stacking energy: -491.777 Base-Backbone interact. energy: -3.381 local terms energy: -476.838577 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -90.479 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -61.725 tors. eta vs tors. theta energy: -131.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1587.263047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.263047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.263047 (E_RNA) where: Base-Base interactions energy: -1100.912 where: short stacking energy: -477.293 Base-Backbone interact. energy: -1.033 local terms energy: -485.318020 where: bonds (distance) C4'-P energy: -76.437 bonds (distance) P-C4' energy: -98.330 flat angles C4'-P-C4' energy: -105.135 flat angles P-C4'-P energy: -68.814 tors. eta vs tors. theta energy: -136.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1561.884235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.884235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.884235 (E_RNA) where: Base-Base interactions energy: -1090.083 where: short stacking energy: -478.275 Base-Backbone interact. energy: 1.833 local terms energy: -473.633847 where: bonds (distance) C4'-P energy: -88.865 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -61.348 tors. eta vs tors. theta energy: -135.955 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: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1330.787871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.787871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.787871 (E_RNA) where: Base-Base interactions energy: -891.651 where: short stacking energy: -368.041 Base-Backbone interact. energy: -1.327 local terms energy: -437.809710 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -106.682 flat angles P-C4'-P energy: -60.677 tors. eta vs tors. theta energy: -102.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1216.492192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.492192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.492192 (E_RNA) where: Base-Base interactions energy: -818.571 where: short stacking energy: -365.630 Base-Backbone interact. energy: -1.340 local terms energy: -396.580940 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -87.808 flat angles C4'-P-C4' energy: -83.508 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -87.657 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: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1175.972662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.972662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.972662 (E_RNA) where: Base-Base interactions energy: -797.324 where: short stacking energy: -311.745 Base-Backbone interact. energy: -0.155 local terms energy: -378.493934 where: bonds (distance) C4'-P energy: -79.524 bonds (distance) P-C4' energy: -98.766 flat angles C4'-P-C4' energy: -84.816 flat angles P-C4'-P energy: -39.447 tors. eta vs tors. theta energy: -75.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -788.523977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.523977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.523977 (E_RNA) where: Base-Base interactions energy: -473.077 where: short stacking energy: -240.526 Base-Backbone interact. energy: -3.890 local terms energy: -311.556785 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -87.572 flat angles P-C4'-P energy: -50.409 tors. eta vs tors. theta energy: -27.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -444.240623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.240623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.240623 (E_RNA) where: Base-Base interactions energy: -192.725 where: short stacking energy: -111.067 Base-Backbone interact. energy: -2.563 local terms energy: -248.953103 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -85.020 flat angles C4'-P-C4' energy: -73.630 flat angles P-C4'-P energy: -33.689 tors. eta vs tors. theta energy: 16.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1806.269693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.269693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.269693 (E_RNA) where: Base-Base interactions energy: -1283.472 where: short stacking energy: -521.494 Base-Backbone interact. energy: 0.307 local terms energy: -523.104146 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -118.230 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -139.113 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: 397 Temperature: 0.950000 Total energy: -1779.256778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.256778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.256778 (E_RNA) where: Base-Base interactions energy: -1223.082 where: short stacking energy: -536.295 Base-Backbone interact. energy: -1.401 local terms energy: -554.773637 where: bonds (distance) C4'-P energy: -93.169 bonds (distance) P-C4' energy: -105.589 flat angles C4'-P-C4' energy: -111.612 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -167.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1654.769188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.769188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.769188 (E_RNA) where: Base-Base interactions energy: -1180.125 where: short stacking energy: -484.723 Base-Backbone interact. energy: -2.650 local terms energy: -471.994298 where: bonds (distance) C4'-P energy: -91.801 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -109.350 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -125.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1627.414857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.414857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.414857 (E_RNA) where: Base-Base interactions energy: -1111.993 where: short stacking energy: -477.825 Base-Backbone interact. energy: -2.405 local terms energy: -513.016916 where: bonds (distance) C4'-P energy: -91.978 bonds (distance) P-C4' energy: -91.143 flat angles C4'-P-C4' energy: -105.261 flat angles P-C4'-P energy: -77.719 tors. eta vs tors. theta energy: -146.916 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: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1540.514396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.514396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.514396 (E_RNA) where: Base-Base interactions energy: -1084.515 where: short stacking energy: -462.962 Base-Backbone interact. energy: -4.314 local terms energy: -451.685389 where: bonds (distance) C4'-P energy: -78.194 bonds (distance) P-C4' energy: -78.373 flat angles C4'-P-C4' energy: -94.840 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: -131.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1365.054017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.054017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.054017 (E_RNA) where: Base-Base interactions energy: -920.749 where: short stacking energy: -418.575 Base-Backbone interact. energy: -1.894 local terms energy: -442.410932 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -81.746 flat angles C4'-P-C4' energy: -98.272 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -114.481 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: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1179.441512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.441512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.441512 (E_RNA) where: Base-Base interactions energy: -780.589 where: short stacking energy: -325.778 Base-Backbone interact. energy: 3.838 local terms energy: -402.689845 where: bonds (distance) C4'-P energy: -90.341 bonds (distance) P-C4' energy: -82.560 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -71.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1192.711453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.711453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.711453 (E_RNA) where: Base-Base interactions energy: -856.969 where: short stacking energy: -330.130 Base-Backbone interact. energy: -2.144 local terms energy: -333.598541 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -73.623 flat angles P-C4'-P energy: -34.935 tors. eta vs tors. theta energy: -69.883 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: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -841.963235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.963235 (E_RNA) where: Base-Base interactions energy: -542.452 where: short stacking energy: -245.388 Base-Backbone interact. energy: -0.055 local terms energy: -299.457007 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -83.935 flat angles C4'-P-C4' energy: -70.332 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: -27.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -510.643511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.643511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.643511 (E_RNA) where: Base-Base interactions energy: -217.848 where: short stacking energy: -175.418 Base-Backbone interact. energy: -0.379 local terms energy: -292.416298 where: bonds (distance) C4'-P energy: -76.812 bonds (distance) P-C4' energy: -88.756 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -15.632 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: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1799.469084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.469084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.469084 (E_RNA) where: Base-Base interactions energy: -1271.301 where: short stacking energy: -530.222 Base-Backbone interact. energy: 0.614 local terms energy: -528.782512 where: bonds (distance) C4'-P energy: -86.179 bonds (distance) P-C4' energy: -106.036 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -148.827 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: 398 Temperature: 0.950000 Total energy: -1753.984626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.984626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.984626 (E_RNA) where: Base-Base interactions energy: -1210.052 where: short stacking energy: -511.002 Base-Backbone interact. energy: -2.279 local terms energy: -541.653073 where: bonds (distance) C4'-P energy: -93.065 bonds (distance) P-C4' energy: -94.995 flat angles C4'-P-C4' energy: -121.876 flat angles P-C4'-P energy: -70.219 tors. eta vs tors. theta energy: -161.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1638.810521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.810521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.810521 (E_RNA) where: Base-Base interactions energy: -1153.950 where: short stacking energy: -522.688 Base-Backbone interact. energy: 0.860 local terms energy: -485.719807 where: bonds (distance) C4'-P energy: -86.761 bonds (distance) P-C4' energy: -76.522 flat angles C4'-P-C4' energy: -105.177 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -145.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1623.530131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.530131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.530131 (E_RNA) where: Base-Base interactions energy: -1136.671 where: short stacking energy: -467.714 Base-Backbone interact. energy: 3.233 local terms energy: -490.091766 where: bonds (distance) C4'-P energy: -89.911 bonds (distance) P-C4' energy: -93.508 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -76.348 tors. eta vs tors. theta energy: -124.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1545.809972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.809972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.809972 (E_RNA) where: Base-Base interactions energy: -1081.126 where: short stacking energy: -469.164 Base-Backbone interact. energy: -0.282 local terms energy: -464.402171 where: bonds (distance) C4'-P energy: -78.588 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -105.575 flat angles P-C4'-P energy: -60.226 tors. eta vs tors. theta energy: -139.657 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: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1373.740359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.740359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.740359 (E_RNA) where: Base-Base interactions energy: -934.574 where: short stacking energy: -403.936 Base-Backbone interact. energy: -1.642 local terms energy: -437.524383 where: bonds (distance) C4'-P energy: -99.277 bonds (distance) P-C4' energy: -82.980 flat angles C4'-P-C4' energy: -97.231 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: -95.269 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: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1273.047288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.047288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.047288 (E_RNA) where: Base-Base interactions energy: -896.550 where: short stacking energy: -344.527 Base-Backbone interact. energy: 2.557 local terms energy: -379.055056 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -89.612 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -71.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1161.593279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.593279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.593279 (E_RNA) where: Base-Base interactions energy: -759.776 where: short stacking energy: -340.734 Base-Backbone interact. energy: -0.596 local terms energy: -401.221792 where: bonds (distance) C4'-P energy: -93.929 bonds (distance) P-C4' energy: -103.175 flat angles C4'-P-C4' energy: -79.524 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -76.308 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: 398 Temperature: 1.300000 Total energy: -813.149481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.149481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.149481 (E_RNA) where: Base-Base interactions energy: -481.454 where: short stacking energy: -231.476 Base-Backbone interact. energy: -0.485 local terms energy: -331.209995 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -93.065 flat angles C4'-P-C4' energy: -86.247 flat angles P-C4'-P energy: -37.445 tors. eta vs tors. theta energy: -31.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -476.975115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.975115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.975115 (E_RNA) where: Base-Base interactions energy: -222.298 where: short stacking energy: -136.589 Base-Backbone interact. energy: -0.301 local terms energy: -254.375666 where: bonds (distance) C4'-P energy: -100.235 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -60.321 flat angles P-C4'-P energy: -38.195 tors. eta vs tors. theta energy: 20.112 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: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1764.276671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.276671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.276671 (E_RNA) where: Base-Base interactions energy: -1219.261 where: short stacking energy: -518.108 Base-Backbone interact. energy: -1.177 local terms energy: -543.838512 where: bonds (distance) C4'-P energy: -100.146 bonds (distance) P-C4' energy: -98.693 flat angles C4'-P-C4' energy: -114.916 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -148.953 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: 399 Temperature: 0.950000 Total energy: -1742.627476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.627476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.627476 (E_RNA) where: Base-Base interactions energy: -1211.107 where: short stacking energy: -548.530 Base-Backbone interact. energy: -1.559 local terms energy: -529.962062 where: bonds (distance) C4'-P energy: -90.283 bonds (distance) P-C4' energy: -97.760 flat angles C4'-P-C4' energy: -109.627 flat angles P-C4'-P energy: -72.684 tors. eta vs tors. theta energy: -159.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1606.138089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.138089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.138089 (E_RNA) where: Base-Base interactions energy: -1110.489 where: short stacking energy: -497.314 Base-Backbone interact. energy: -3.792 local terms energy: -491.856471 where: bonds (distance) C4'-P energy: -87.043 bonds (distance) P-C4' energy: -87.080 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -145.784 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: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1612.193242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.193242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.193242 (E_RNA) where: Base-Base interactions energy: -1130.843 where: short stacking energy: -458.175 Base-Backbone interact. energy: 4.448 local terms energy: -485.798545 where: bonds (distance) C4'-P energy: -101.549 bonds (distance) P-C4' energy: -89.542 flat angles C4'-P-C4' energy: -106.596 flat angles P-C4'-P energy: -66.433 tors. eta vs tors. theta energy: -121.679 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: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1552.856752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.856752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.856752 (E_RNA) where: Base-Base interactions energy: -1088.799 where: short stacking energy: -467.993 Base-Backbone interact. energy: 1.960 local terms energy: -466.017834 where: bonds (distance) C4'-P energy: -79.038 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -87.346 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -134.533 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: 399 Temperature: 1.150000 Total energy: -1404.860579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.860579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.860579 (E_RNA) where: Base-Base interactions energy: -953.665 where: short stacking energy: -391.599 Base-Backbone interact. energy: -1.443 local terms energy: -449.753338 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -95.434 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -59.778 tors. eta vs tors. theta energy: -111.968 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: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1257.330526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.330526 (E_RNA) where: Base-Base interactions energy: -855.185 where: short stacking energy: -352.769 Base-Backbone interact. energy: -3.495 local terms energy: -398.650119 where: bonds (distance) C4'-P energy: -85.213 bonds (distance) P-C4' energy: -92.953 flat angles C4'-P-C4' energy: -91.042 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -83.347 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: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1161.708099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.708099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.708099 (E_RNA) where: Base-Base interactions energy: -773.415 where: short stacking energy: -343.388 Base-Backbone interact. energy: -1.270 local terms energy: -387.022499 where: bonds (distance) C4'-P energy: -67.722 bonds (distance) P-C4' energy: -89.166 flat angles C4'-P-C4' energy: -102.209 flat angles P-C4'-P energy: -52.073 tors. eta vs tors. theta energy: -75.853 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: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -835.991437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.991437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.991437 (E_RNA) where: Base-Base interactions energy: -534.701 where: short stacking energy: -249.020 Base-Backbone interact. energy: -1.684 local terms energy: -299.606801 where: bonds (distance) C4'-P energy: -76.429 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -67.338 flat angles P-C4'-P energy: -43.707 tors. eta vs tors. theta energy: -28.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -538.395479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.395479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.395479 (E_RNA) where: Base-Base interactions energy: -280.324 where: short stacking energy: -159.852 Base-Backbone interact. energy: -0.179 local terms energy: -257.892642 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -75.329 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1771.005150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.005150 (E_RNA) where: Base-Base interactions energy: -1247.940 where: short stacking energy: -516.169 Base-Backbone interact. energy: -2.214 local terms energy: -520.850979 where: bonds (distance) C4'-P energy: -109.131 bonds (distance) P-C4' energy: -81.439 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -82.890 tors. eta vs tors. theta energy: -143.291 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: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1752.228939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.228939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.228939 (E_RNA) where: Base-Base interactions energy: -1231.478 where: short stacking energy: -528.279 Base-Backbone interact. energy: -1.363 local terms energy: -519.387938 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -90.454 flat angles C4'-P-C4' energy: -111.945 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: -154.772 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: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1587.793071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.793071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.793071 (E_RNA) where: Base-Base interactions energy: -1091.265 where: short stacking energy: -462.015 Base-Backbone interact. energy: -2.319 local terms energy: -494.208736 where: bonds (distance) C4'-P energy: -100.784 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -113.169 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -124.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1623.322917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.322917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.322917 (E_RNA) where: Base-Base interactions energy: -1145.787 where: short stacking energy: -460.084 Base-Backbone interact. energy: -2.804 local terms energy: -474.732435 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -91.942 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -66.057 tors. eta vs tors. theta energy: -129.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1606.340782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.340782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.340782 (E_RNA) where: Base-Base interactions energy: -1110.757 where: short stacking energy: -477.307 Base-Backbone interact. energy: -3.060 local terms energy: -492.523762 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -80.092 flat angles C4'-P-C4' energy: -111.613 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -147.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1421.256665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.256665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.256665 (E_RNA) where: Base-Base interactions energy: -956.168 where: short stacking energy: -415.271 Base-Backbone interact. energy: -1.250 local terms energy: -463.839360 where: bonds (distance) C4'-P energy: -77.371 bonds (distance) P-C4' energy: -90.808 flat angles C4'-P-C4' energy: -104.685 flat angles P-C4'-P energy: -68.648 tors. eta vs tors. theta energy: -122.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1292.260408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.260408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.260408 (E_RNA) where: Base-Base interactions energy: -865.101 where: short stacking energy: -362.546 Base-Backbone interact. energy: 4.533 local terms energy: -431.693202 where: bonds (distance) C4'-P energy: -86.575 bonds (distance) P-C4' energy: -93.276 flat angles C4'-P-C4' energy: -100.786 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -97.384 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: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1182.960690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.960690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.960690 (E_RNA) where: Base-Base interactions energy: -798.383 where: short stacking energy: -368.408 Base-Backbone interact. energy: -2.085 local terms energy: -382.492351 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -95.367 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -43.272 tors. eta vs tors. theta energy: -86.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -813.956872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.956872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.956872 (E_RNA) where: Base-Base interactions energy: -472.408 where: short stacking energy: -235.170 Base-Backbone interact. energy: 2.569 local terms energy: -344.117716 where: bonds (distance) C4'-P energy: -86.296 bonds (distance) P-C4' energy: -85.667 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -47.309 tors. eta vs tors. theta energy: -42.653 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: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -565.244622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.244622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.244622 (E_RNA) where: Base-Base interactions energy: -300.159 where: short stacking energy: -148.103 Base-Backbone interact. energy: -1.795 local terms energy: -263.290725 where: bonds (distance) C4'-P energy: -91.270 bonds (distance) P-C4' energy: -59.361 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -42.310 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1788.285033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.285033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.285033 (E_RNA) where: Base-Base interactions energy: -1266.278 where: short stacking energy: -516.104 Base-Backbone interact. energy: -2.624 local terms energy: -519.382529 where: bonds (distance) C4'-P energy: -97.641 bonds (distance) P-C4' energy: -89.577 flat angles C4'-P-C4' energy: -108.621 flat angles P-C4'-P energy: -68.213 tors. eta vs tors. theta energy: -155.330 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: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1763.531139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.531139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.531139 (E_RNA) where: Base-Base interactions energy: -1228.201 where: short stacking energy: -529.335 Base-Backbone interact. energy: -0.882 local terms energy: -534.447756 where: bonds (distance) C4'-P energy: -94.179 bonds (distance) P-C4' energy: -89.356 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -79.221 tors. eta vs tors. theta energy: -161.130 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: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1618.294297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.294297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.294297 (E_RNA) where: Base-Base interactions energy: -1111.121 where: short stacking energy: -469.023 Base-Backbone interact. energy: -3.356 local terms energy: -503.817373 where: bonds (distance) C4'-P energy: -92.915 bonds (distance) P-C4' energy: -109.265 flat angles C4'-P-C4' energy: -93.599 flat angles P-C4'-P energy: -73.349 tors. eta vs tors. theta energy: -134.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1619.586294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.586294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.586294 (E_RNA) where: Base-Base interactions energy: -1144.617 where: short stacking energy: -461.242 Base-Backbone interact. energy: -3.004 local terms energy: -471.965278 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -83.007 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -120.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1582.476052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.476052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.476052 (E_RNA) where: Base-Base interactions energy: -1109.519 where: short stacking energy: -490.632 Base-Backbone interact. energy: -1.172 local terms energy: -471.785340 where: bonds (distance) C4'-P energy: -81.500 bonds (distance) P-C4' energy: -79.725 flat angles C4'-P-C4' energy: -110.164 flat angles P-C4'-P energy: -58.308 tors. eta vs tors. theta energy: -142.088 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: 401 Temperature: 1.150000 Total energy: -1406.570083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.570083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.570083 (E_RNA) where: Base-Base interactions energy: -980.878 where: short stacking energy: -431.362 Base-Backbone interact. energy: -2.241 local terms energy: -423.451047 where: bonds (distance) C4'-P energy: -79.256 bonds (distance) P-C4' energy: -83.330 flat angles C4'-P-C4' energy: -85.148 flat angles P-C4'-P energy: -62.488 tors. eta vs tors. theta energy: -113.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1242.703002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.703002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.703002 (E_RNA) where: Base-Base interactions energy: -855.716 where: short stacking energy: -335.153 Base-Backbone interact. energy: 0.963 local terms energy: -387.949898 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -81.281 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -77.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1158.749874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.749874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.749874 (E_RNA) where: Base-Base interactions energy: -781.005 where: short stacking energy: -344.713 Base-Backbone interact. energy: 0.277 local terms energy: -378.021900 where: bonds (distance) C4'-P energy: -80.648 bonds (distance) P-C4' energy: -86.811 flat angles C4'-P-C4' energy: -84.349 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -70.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -814.629911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.629911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.629911 (E_RNA) where: Base-Base interactions energy: -486.615 where: short stacking energy: -253.706 Base-Backbone interact. energy: -4.662 local terms energy: -323.353233 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -87.803 flat angles C4'-P-C4' energy: -67.113 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -45.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -499.786164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.786164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.786164 (E_RNA) where: Base-Base interactions energy: -230.328 where: short stacking energy: -152.837 Base-Backbone interact. energy: -1.893 local terms energy: -267.565082 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -90.226 flat angles C4'-P-C4' energy: -59.903 flat angles P-C4'-P energy: -45.362 tors. eta vs tors. theta energy: 9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1814.490274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.490274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.490274 (E_RNA) where: Base-Base interactions energy: -1276.805 where: short stacking energy: -544.604 Base-Backbone interact. energy: 1.905 local terms energy: -539.590349 where: bonds (distance) C4'-P energy: -98.561 bonds (distance) P-C4' energy: -102.862 flat angles C4'-P-C4' energy: -111.648 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -155.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1744.455767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.455767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.455767 (E_RNA) where: Base-Base interactions energy: -1218.619 where: short stacking energy: -521.940 Base-Backbone interact. energy: -2.577 local terms energy: -523.259091 where: bonds (distance) C4'-P energy: -86.966 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -114.566 flat angles P-C4'-P energy: -83.202 tors. eta vs tors. theta energy: -152.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1643.324078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.324078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.324078 (E_RNA) where: Base-Base interactions energy: -1126.456 where: short stacking energy: -502.278 Base-Backbone interact. energy: -3.204 local terms energy: -513.663771 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -95.096 flat angles C4'-P-C4' energy: -119.253 flat angles P-C4'-P energy: -69.794 tors. eta vs tors. theta energy: -150.966 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: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1600.892481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.892481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.892481 (E_RNA) where: Base-Base interactions energy: -1151.375 where: short stacking energy: -467.709 Base-Backbone interact. energy: -1.470 local terms energy: -448.047441 where: bonds (distance) C4'-P energy: -81.034 bonds (distance) P-C4' energy: -92.463 flat angles C4'-P-C4' energy: -104.420 flat angles P-C4'-P energy: -46.308 tors. eta vs tors. theta energy: -123.823 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: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1558.655004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.655004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.655004 (E_RNA) where: Base-Base interactions energy: -1067.625 where: short stacking energy: -467.902 Base-Backbone interact. energy: 6.108 local terms energy: -497.137936 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -92.025 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -143.542 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: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1469.010438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.010438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.010438 (E_RNA) where: Base-Base interactions energy: -1004.910 where: short stacking energy: -443.525 Base-Backbone interact. energy: -3.711 local terms energy: -460.389812 where: bonds (distance) C4'-P energy: -87.210 bonds (distance) P-C4' energy: -83.688 flat angles C4'-P-C4' energy: -98.882 flat angles P-C4'-P energy: -70.614 tors. eta vs tors. theta energy: -119.997 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: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1284.971852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.971852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.971852 (E_RNA) where: Base-Base interactions energy: -897.127 where: short stacking energy: -366.370 Base-Backbone interact. energy: -3.902 local terms energy: -383.942435 where: bonds (distance) C4'-P energy: -65.506 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -94.422 flat angles P-C4'-P energy: -55.885 tors. eta vs tors. theta energy: -77.868 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: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1177.951955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.951955 (E_RNA) where: Base-Base interactions energy: -785.958 where: short stacking energy: -363.226 Base-Backbone interact. energy: -0.959 local terms energy: -391.035085 where: bonds (distance) C4'-P energy: -80.090 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -91.650 flat angles P-C4'-P energy: -56.809 tors. eta vs tors. theta energy: -81.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -870.663564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.663564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.663564 (E_RNA) where: Base-Base interactions energy: -532.738 where: short stacking energy: -249.511 Base-Backbone interact. energy: -1.418 local terms energy: -336.507851 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -78.365 flat angles C4'-P-C4' energy: -88.363 flat angles P-C4'-P energy: -67.203 tors. eta vs tors. theta energy: -33.495 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: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -568.019720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.019720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.019720 (E_RNA) where: Base-Base interactions energy: -281.042 where: short stacking energy: -183.191 Base-Backbone interact. energy: 0.136 local terms energy: -287.113784 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -55.448 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1799.536582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.536582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.536582 (E_RNA) where: Base-Base interactions energy: -1275.347 where: short stacking energy: -539.463 Base-Backbone interact. energy: -2.277 local terms energy: -521.913134 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -98.296 flat angles C4'-P-C4' energy: -112.648 flat angles P-C4'-P energy: -74.513 tors. eta vs tors. theta energy: -142.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1753.094689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.094689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.094689 (E_RNA) where: Base-Base interactions energy: -1222.870 where: short stacking energy: -526.057 Base-Backbone interact. energy: -0.977 local terms energy: -529.248478 where: bonds (distance) C4'-P energy: -86.838 bonds (distance) P-C4' energy: -92.159 flat angles C4'-P-C4' energy: -121.195 flat angles P-C4'-P energy: -77.081 tors. eta vs tors. theta energy: -151.975 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: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1685.514533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.514533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.514533 (E_RNA) where: Base-Base interactions energy: -1161.574 where: short stacking energy: -499.592 Base-Backbone interact. energy: -2.761 local terms energy: -521.178910 where: bonds (distance) C4'-P energy: -102.755 bonds (distance) P-C4' energy: -90.062 flat angles C4'-P-C4' energy: -111.388 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -148.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1624.536769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.536769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.536769 (E_RNA) where: Base-Base interactions energy: -1151.145 where: short stacking energy: -460.643 Base-Backbone interact. energy: -3.477 local terms energy: -469.914226 where: bonds (distance) C4'-P energy: -89.915 bonds (distance) P-C4' energy: -83.985 flat angles C4'-P-C4' energy: -99.344 flat angles P-C4'-P energy: -68.503 tors. eta vs tors. theta energy: -128.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1596.048212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.048212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.048212 (E_RNA) where: Base-Base interactions energy: -1116.055 where: short stacking energy: -469.733 Base-Backbone interact. energy: -1.936 local terms energy: -478.056866 where: bonds (distance) C4'-P energy: -86.028 bonds (distance) P-C4' energy: -78.046 flat angles C4'-P-C4' energy: -108.529 flat angles P-C4'-P energy: -65.056 tors. eta vs tors. theta energy: -140.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1480.823168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.823168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.823168 (E_RNA) where: Base-Base interactions energy: -1026.102 where: short stacking energy: -452.783 Base-Backbone interact. energy: -1.939 local terms energy: -452.781397 where: bonds (distance) C4'-P energy: -74.378 bonds (distance) P-C4' energy: -86.721 flat angles C4'-P-C4' energy: -106.088 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -120.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1267.188066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.188066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.188066 (E_RNA) where: Base-Base interactions energy: -848.083 where: short stacking energy: -376.025 Base-Backbone interact. energy: -2.032 local terms energy: -417.073986 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -71.056 flat angles C4'-P-C4' energy: -102.281 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -92.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1178.966495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.966495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.966495 (E_RNA) where: Base-Base interactions energy: -788.224 where: short stacking energy: -346.873 Base-Backbone interact. energy: -1.300 local terms energy: -389.442435 where: bonds (distance) C4'-P energy: -88.245 bonds (distance) P-C4' energy: -74.829 flat angles C4'-P-C4' energy: -89.945 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -858.761855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.761855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.761855 (E_RNA) where: Base-Base interactions energy: -517.298 where: short stacking energy: -269.200 Base-Backbone interact. energy: 1.090 local terms energy: -342.553097 where: bonds (distance) C4'-P energy: -95.873 bonds (distance) P-C4' energy: -73.360 flat angles C4'-P-C4' energy: -85.072 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -47.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -586.102203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.102203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.102203 (E_RNA) where: Base-Base interactions energy: -313.950 where: short stacking energy: -176.094 Base-Backbone interact. energy: 0.603 local terms energy: -272.755031 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1807.304329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.304329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.304329 (E_RNA) where: Base-Base interactions energy: -1286.170 where: short stacking energy: -529.544 Base-Backbone interact. energy: -2.528 local terms energy: -518.606060 where: bonds (distance) C4'-P energy: -98.146 bonds (distance) P-C4' energy: -99.468 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -147.132 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: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1786.418378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.418378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.418378 (E_RNA) where: Base-Base interactions energy: -1245.004 where: short stacking energy: -531.990 Base-Backbone interact. energy: -1.136 local terms energy: -540.278922 where: bonds (distance) C4'-P energy: -95.623 bonds (distance) P-C4' energy: -103.986 flat angles C4'-P-C4' energy: -115.160 flat angles P-C4'-P energy: -75.111 tors. eta vs tors. theta energy: -150.400 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: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1692.470081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.470081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.470081 (E_RNA) where: Base-Base interactions energy: -1181.158 where: short stacking energy: -517.148 Base-Backbone interact. energy: -1.416 local terms energy: -509.895737 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -89.957 flat angles C4'-P-C4' energy: -106.119 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: -144.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1655.307797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.307797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.307797 (E_RNA) where: Base-Base interactions energy: -1172.496 where: short stacking energy: -475.319 Base-Backbone interact. energy: -2.794 local terms energy: -480.018130 where: bonds (distance) C4'-P energy: -95.356 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -105.952 flat angles P-C4'-P energy: -59.801 tors. eta vs tors. theta energy: -127.639 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: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1615.850050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.850050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.850050 (E_RNA) where: Base-Base interactions energy: -1125.737 where: short stacking energy: -476.132 Base-Backbone interact. energy: -2.525 local terms energy: -487.588474 where: bonds (distance) C4'-P energy: -81.792 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -144.161 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: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1439.778517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.778517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.778517 (E_RNA) where: Base-Base interactions energy: -989.554 where: short stacking energy: -434.640 Base-Backbone interact. energy: -1.515 local terms energy: -448.709806 where: bonds (distance) C4'-P energy: -78.799 bonds (distance) P-C4' energy: -88.898 flat angles C4'-P-C4' energy: -97.282 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: -117.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1277.382214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.382214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.382214 (E_RNA) where: Base-Base interactions energy: -880.935 where: short stacking energy: -372.101 Base-Backbone interact. energy: -1.553 local terms energy: -394.894552 where: bonds (distance) C4'-P energy: -61.800 bonds (distance) P-C4' energy: -87.288 flat angles C4'-P-C4' energy: -90.018 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -98.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1189.351159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.351159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.351159 (E_RNA) where: Base-Base interactions energy: -825.070 where: short stacking energy: -343.382 Base-Backbone interact. energy: -0.940 local terms energy: -363.341698 where: bonds (distance) C4'-P energy: -81.832 bonds (distance) P-C4' energy: -74.002 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -56.371 tors. eta vs tors. theta energy: -79.640 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: 404 Temperature: 1.300000 Total energy: -857.969029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.969029 (E_RNA) where: Base-Base interactions energy: -514.753 where: short stacking energy: -237.630 Base-Backbone interact. energy: -1.018 local terms energy: -342.198052 where: bonds (distance) C4'-P energy: -79.609 bonds (distance) P-C4' energy: -91.461 flat angles C4'-P-C4' energy: -68.327 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: -47.972 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: 6 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -519.498121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.498121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.498121 (E_RNA) where: Base-Base interactions energy: -260.719 where: short stacking energy: -163.135 Base-Backbone interact. energy: -0.591 local terms energy: -258.188547 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -84.870 flat angles C4'-P-C4' energy: -66.767 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1804.779546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.779546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.779546 (E_RNA) where: Base-Base interactions energy: -1278.863 where: short stacking energy: -548.982 Base-Backbone interact. energy: -3.711 local terms energy: -522.205286 where: bonds (distance) C4'-P energy: -93.491 bonds (distance) P-C4' energy: -97.443 flat angles C4'-P-C4' energy: -111.693 flat angles P-C4'-P energy: -67.714 tors. eta vs tors. theta energy: -151.865 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: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1741.320915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.320915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.320915 (E_RNA) where: Base-Base interactions energy: -1215.942 where: short stacking energy: -523.966 Base-Backbone interact. energy: 0.586 local terms energy: -525.965099 where: bonds (distance) C4'-P energy: -81.104 bonds (distance) P-C4' energy: -99.625 flat angles C4'-P-C4' energy: -112.820 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -154.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1673.182325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.182325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.182325 (E_RNA) where: Base-Base interactions energy: -1164.788 where: short stacking energy: -523.567 Base-Backbone interact. energy: 0.201 local terms energy: -508.595599 where: bonds (distance) C4'-P energy: -83.102 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -81.986 tors. eta vs tors. theta energy: -150.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1679.297178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.297178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.297178 (E_RNA) where: Base-Base interactions energy: -1211.096 where: short stacking energy: -477.948 Base-Backbone interact. energy: -4.102 local terms energy: -464.099561 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -95.572 flat angles C4'-P-C4' energy: -110.358 flat angles P-C4'-P energy: -56.667 tors. eta vs tors. theta energy: -124.677 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: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1658.471445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.471445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.471445 (E_RNA) where: Base-Base interactions energy: -1168.975 where: short stacking energy: -508.462 Base-Backbone interact. energy: -1.984 local terms energy: -487.512407 where: bonds (distance) C4'-P energy: -78.599 bonds (distance) P-C4' energy: -90.872 flat angles C4'-P-C4' energy: -103.937 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -150.435 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: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1409.135100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.135100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.135100 (E_RNA) where: Base-Base interactions energy: -972.254 where: short stacking energy: -415.806 Base-Backbone interact. energy: -3.336 local terms energy: -433.545005 where: bonds (distance) C4'-P energy: -75.500 bonds (distance) P-C4' energy: -91.048 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -66.790 tors. eta vs tors. theta energy: -107.461 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: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1303.582331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.582331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.582331 (E_RNA) where: Base-Base interactions energy: -896.541 where: short stacking energy: -384.470 Base-Backbone interact. energy: -1.614 local terms energy: -405.428083 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -85.777 flat angles P-C4'-P energy: -57.038 tors. eta vs tors. theta energy: -101.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1160.711213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.711213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.711213 (E_RNA) where: Base-Base interactions energy: -777.316 where: short stacking energy: -331.567 Base-Backbone interact. energy: -1.642 local terms energy: -381.752706 where: bonds (distance) C4'-P energy: -95.765 bonds (distance) P-C4' energy: -63.373 flat angles C4'-P-C4' energy: -90.169 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -72.501 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: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -909.735467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.735467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.735467 (E_RNA) where: Base-Base interactions energy: -563.969 where: short stacking energy: -271.710 Base-Backbone interact. energy: 0.791 local terms energy: -346.557747 where: bonds (distance) C4'-P energy: -73.280 bonds (distance) P-C4' energy: -94.215 flat angles C4'-P-C4' energy: -84.950 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -47.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -479.558873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.558873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.558873 (E_RNA) where: Base-Base interactions energy: -200.109 where: short stacking energy: -128.128 Base-Backbone interact. energy: -4.075 local terms energy: -275.375243 where: bonds (distance) C4'-P energy: -75.595 bonds (distance) P-C4' energy: -83.138 flat angles C4'-P-C4' energy: -63.970 flat angles P-C4'-P energy: -51.127 tors. eta vs tors. theta energy: -1.545 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: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1801.209252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.209252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.209252 (E_RNA) where: Base-Base interactions energy: -1282.146 where: short stacking energy: -524.678 Base-Backbone interact. energy: 0.460 local terms energy: -519.523172 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -87.600 flat angles C4'-P-C4' energy: -115.023 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -146.790 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: 2, replica: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1732.198709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.198709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.198709 (E_RNA) where: Base-Base interactions energy: -1218.950 where: short stacking energy: -509.101 Base-Backbone interact. energy: 0.479 local terms energy: -513.727716 where: bonds (distance) C4'-P energy: -87.660 bonds (distance) P-C4' energy: -96.341 flat angles C4'-P-C4' energy: -109.626 flat angles P-C4'-P energy: -76.104 tors. eta vs tors. theta energy: -143.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1675.650375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.650375 (E_RNA) where: Base-Base interactions energy: -1203.334 where: short stacking energy: -485.495 Base-Backbone interact. energy: -5.207 local terms energy: -467.109414 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -94.279 flat angles C4'-P-C4' energy: -95.561 flat angles P-C4'-P energy: -46.769 tors. eta vs tors. theta energy: -136.914 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1621.080499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.080499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.080499 (E_RNA) where: Base-Base interactions energy: -1128.890 where: short stacking energy: -498.165 Base-Backbone interact. energy: 1.115 local terms energy: -493.306389 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -89.859 flat angles C4'-P-C4' energy: -104.159 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -146.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1558.870806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.870806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.870806 (E_RNA) where: Base-Base interactions energy: -1066.827 where: short stacking energy: -463.061 Base-Backbone interact. energy: -1.817 local terms energy: -490.226225 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -62.274 tors. eta vs tors. theta energy: -134.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1430.013980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.013980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.013980 (E_RNA) where: Base-Base interactions energy: -971.691 where: short stacking energy: -410.294 Base-Backbone interact. energy: -4.595 local terms energy: -453.728029 where: bonds (distance) C4'-P energy: -86.081 bonds (distance) P-C4' energy: -90.662 flat angles C4'-P-C4' energy: -102.931 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -111.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1189.270460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.270460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.270460 (E_RNA) where: Base-Base interactions energy: -786.511 where: short stacking energy: -342.609 Base-Backbone interact. energy: 0.521 local terms energy: -403.280585 where: bonds (distance) C4'-P energy: -96.084 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -94.299 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -81.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1233.273224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.273224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.273224 (E_RNA) where: Base-Base interactions energy: -844.516 where: short stacking energy: -354.570 Base-Backbone interact. energy: -2.081 local terms energy: -386.675633 where: bonds (distance) C4'-P energy: -82.885 bonds (distance) P-C4' energy: -77.677 flat angles C4'-P-C4' energy: -89.799 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -89.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -873.089527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.089527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.089527 (E_RNA) where: Base-Base interactions energy: -552.704 where: short stacking energy: -259.069 Base-Backbone interact. energy: 2.037 local terms energy: -322.422642 where: bonds (distance) C4'-P energy: -73.507 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -44.251 tors. eta vs tors. theta energy: -54.286 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: 406 Temperature: 1.350000 Total energy: -543.974850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.974850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.974850 (E_RNA) where: Base-Base interactions energy: -257.782 where: short stacking energy: -162.955 Base-Backbone interact. energy: -3.496 local terms energy: -282.696738 where: bonds (distance) C4'-P energy: -80.776 bonds (distance) P-C4' energy: -71.683 flat angles C4'-P-C4' energy: -71.625 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -3.238 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1817.920655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.920655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.920655 (E_RNA) where: Base-Base interactions energy: -1280.695 where: short stacking energy: -539.820 Base-Backbone interact. energy: -4.377 local terms energy: -532.848612 where: bonds (distance) C4'-P energy: -97.015 bonds (distance) P-C4' energy: -93.288 flat angles C4'-P-C4' energy: -115.140 flat angles P-C4'-P energy: -83.577 tors. eta vs tors. theta energy: -143.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1701.882364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.882364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.882364 (E_RNA) where: Base-Base interactions energy: -1209.594 where: short stacking energy: -491.032 Base-Backbone interact. energy: 1.462 local terms energy: -493.750581 where: bonds (distance) C4'-P energy: -88.132 bonds (distance) P-C4' energy: -96.746 flat angles C4'-P-C4' energy: -105.627 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: -134.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1712.076897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.076897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.076897 (E_RNA) where: Base-Base interactions energy: -1184.676 where: short stacking energy: -534.523 Base-Backbone interact. energy: 1.716 local terms energy: -529.117061 where: bonds (distance) C4'-P energy: -97.219 bonds (distance) P-C4' energy: -92.290 flat angles C4'-P-C4' energy: -104.486 flat angles P-C4'-P energy: -84.784 tors. eta vs tors. theta energy: -150.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1646.076581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.076581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.076581 (E_RNA) where: Base-Base interactions energy: -1135.788 where: short stacking energy: -493.578 Base-Backbone interact. energy: -2.443 local terms energy: -507.846011 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -91.346 flat angles C4'-P-C4' energy: -115.337 flat angles P-C4'-P energy: -66.276 tors. eta vs tors. theta energy: -144.085 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1595.066424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.066424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.066424 (E_RNA) where: Base-Base interactions energy: -1124.325 where: short stacking energy: -461.757 Base-Backbone interact. energy: -2.727 local terms energy: -468.015146 where: bonds (distance) C4'-P energy: -95.208 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -129.622 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: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1410.319861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.319861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.319861 (E_RNA) where: Base-Base interactions energy: -992.824 where: short stacking energy: -426.669 Base-Backbone interact. energy: -0.415 local terms energy: -417.080426 where: bonds (distance) C4'-P energy: -66.250 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -99.063 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -112.924 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1190.170897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.170897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.170897 (E_RNA) where: Base-Base interactions energy: -806.781 where: short stacking energy: -364.938 Base-Backbone interact. energy: -2.554 local terms energy: -380.836467 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -78.968 flat angles C4'-P-C4' energy: -83.112 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -83.427 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: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1210.055058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.055058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.055058 (E_RNA) where: Base-Base interactions energy: -826.127 where: short stacking energy: -348.750 Base-Backbone interact. energy: -1.242 local terms energy: -382.685963 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -81.553 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -60.956 tors. eta vs tors. theta energy: -90.774 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -871.512535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.512535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.512535 (E_RNA) where: Base-Base interactions energy: -553.293 where: short stacking energy: -264.177 Base-Backbone interact. energy: -1.737 local terms energy: -316.482346 where: bonds (distance) C4'-P energy: -67.644 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -76.767 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -49.747 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: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -553.729354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.729354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.729354 (E_RNA) where: Base-Base interactions energy: -288.909 where: short stacking energy: -174.680 Base-Backbone interact. energy: 4.724 local terms energy: -269.543685 where: bonds (distance) C4'-P energy: -71.700 bonds (distance) P-C4' energy: -69.493 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1819.950664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.950664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.950664 (E_RNA) where: Base-Base interactions energy: -1302.390 where: short stacking energy: -525.456 Base-Backbone interact. energy: -1.694 local terms energy: -515.866979 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -92.872 flat angles C4'-P-C4' energy: -108.640 flat angles P-C4'-P energy: -75.324 tors. eta vs tors. theta energy: -148.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1706.711241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.711241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.711241 (E_RNA) where: Base-Base interactions energy: -1203.504 where: short stacking energy: -498.859 Base-Backbone interact. energy: -0.950 local terms energy: -502.256657 where: bonds (distance) C4'-P energy: -99.736 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -97.247 flat angles P-C4'-P energy: -75.284 tors. eta vs tors. theta energy: -138.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1685.024007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.024007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.024007 (E_RNA) where: Base-Base interactions energy: -1186.614 where: short stacking energy: -506.131 Base-Backbone interact. energy: -0.467 local terms energy: -497.943815 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -84.192 flat angles C4'-P-C4' energy: -110.677 flat angles P-C4'-P energy: -66.347 tors. eta vs tors. theta energy: -138.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1621.160266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.160266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.160266 (E_RNA) where: Base-Base interactions energy: -1131.694 where: short stacking energy: -505.025 Base-Backbone interact. energy: -2.694 local terms energy: -486.772978 where: bonds (distance) C4'-P energy: -86.863 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -102.570 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: -146.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1546.429919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.429919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.429919 (E_RNA) where: Base-Base interactions energy: -1056.431 where: short stacking energy: -445.994 Base-Backbone interact. energy: -0.542 local terms energy: -489.457538 where: bonds (distance) C4'-P energy: -94.118 bonds (distance) P-C4' energy: -106.495 flat angles C4'-P-C4' energy: -93.088 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -133.232 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: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1396.043311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.043311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.043311 (E_RNA) where: Base-Base interactions energy: -948.507 where: short stacking energy: -419.807 Base-Backbone interact. energy: -2.337 local terms energy: -445.199859 where: bonds (distance) C4'-P energy: -88.023 bonds (distance) P-C4' energy: -86.808 flat angles C4'-P-C4' energy: -102.928 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -111.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1261.056714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.056714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.056714 (E_RNA) where: Base-Base interactions energy: -837.124 where: short stacking energy: -365.739 Base-Backbone interact. energy: -1.323 local terms energy: -422.610496 where: bonds (distance) C4'-P energy: -87.692 bonds (distance) P-C4' energy: -87.245 flat angles C4'-P-C4' energy: -96.623 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -92.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1182.964854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.964854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.964854 (E_RNA) where: Base-Base interactions energy: -841.958 where: short stacking energy: -348.427 Base-Backbone interact. energy: -0.805 local terms energy: -340.201095 where: bonds (distance) C4'-P energy: -65.371 bonds (distance) P-C4' energy: -77.030 flat angles C4'-P-C4' energy: -89.507 flat angles P-C4'-P energy: -45.814 tors. eta vs tors. theta energy: -62.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -985.068822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.068822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.068822 (E_RNA) where: Base-Base interactions energy: -653.861 where: short stacking energy: -299.195 Base-Backbone interact. energy: -1.606 local terms energy: -329.601985 where: bonds (distance) C4'-P energy: -50.535 bonds (distance) P-C4' energy: -79.653 flat angles C4'-P-C4' energy: -84.136 flat angles P-C4'-P energy: -49.255 tors. eta vs tors. theta energy: -66.024 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: 408 Temperature: 1.350000 Total energy: -583.637272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.637272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.637272 (E_RNA) where: Base-Base interactions energy: -291.910 where: short stacking energy: -200.338 Base-Backbone interact. energy: -1.839 local terms energy: -289.887454 where: bonds (distance) C4'-P energy: -68.742 bonds (distance) P-C4' energy: -91.041 flat angles C4'-P-C4' energy: -80.739 flat angles P-C4'-P energy: -30.478 tors. eta vs tors. theta energy: -18.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1818.547459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.547459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.547459 (E_RNA) where: Base-Base interactions energy: -1280.323 where: short stacking energy: -513.691 Base-Backbone interact. energy: -3.319 local terms energy: -534.904865 where: bonds (distance) C4'-P energy: -87.257 bonds (distance) P-C4' energy: -111.548 flat angles C4'-P-C4' energy: -114.725 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -143.164 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: 409 Temperature: 0.950000 Total energy: -1708.548331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.548331 (E_RNA) where: Base-Base interactions energy: -1188.013 where: short stacking energy: -508.821 Base-Backbone interact. energy: -1.188 local terms energy: -519.348214 where: bonds (distance) C4'-P energy: -100.581 bonds (distance) P-C4' energy: -89.723 flat angles C4'-P-C4' energy: -107.770 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -152.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1689.025240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.025240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.025240 (E_RNA) where: Base-Base interactions energy: -1196.095 where: short stacking energy: -455.451 Base-Backbone interact. energy: -1.262 local terms energy: -491.667573 where: bonds (distance) C4'-P energy: -95.384 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -113.704 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -132.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1627.814685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.814685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.814685 (E_RNA) where: Base-Base interactions energy: -1118.543 where: short stacking energy: -493.216 Base-Backbone interact. energy: 0.767 local terms energy: -510.038533 where: bonds (distance) C4'-P energy: -91.381 bonds (distance) P-C4' energy: -98.863 flat angles C4'-P-C4' energy: -103.830 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -151.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1574.934793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.934793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.934793 (E_RNA) where: Base-Base interactions energy: -1097.077 where: short stacking energy: -451.493 Base-Backbone interact. energy: -0.092 local terms energy: -477.766553 where: bonds (distance) C4'-P energy: -85.292 bonds (distance) P-C4' energy: -88.940 flat angles C4'-P-C4' energy: -110.573 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: -125.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1392.812300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.812300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.812300 (E_RNA) where: Base-Base interactions energy: -963.711 where: short stacking energy: -408.174 Base-Backbone interact. energy: -0.729 local terms energy: -428.373010 where: bonds (distance) C4'-P energy: -84.220 bonds (distance) P-C4' energy: -88.394 flat angles C4'-P-C4' energy: -94.171 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: -105.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1303.218807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.218807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.218807 (E_RNA) where: Base-Base interactions energy: -861.856 where: short stacking energy: -382.514 Base-Backbone interact. energy: 1.382 local terms energy: -442.745347 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -79.749 flat angles C4'-P-C4' energy: -100.533 flat angles P-C4'-P energy: -71.532 tors. eta vs tors. theta energy: -91.110 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: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1183.678518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.678518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.678518 (E_RNA) where: Base-Base interactions energy: -817.985 where: short stacking energy: -326.229 Base-Backbone interact. energy: 0.702 local terms energy: -366.395238 where: bonds (distance) C4'-P energy: -82.441 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -82.679 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -64.101 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: 409 Temperature: 1.300000 Total energy: -978.594501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.594501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.594501 (E_RNA) where: Base-Base interactions energy: -636.077 where: short stacking energy: -289.370 Base-Backbone interact. energy: -1.725 local terms energy: -340.792332 where: bonds (distance) C4'-P energy: -81.688 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -80.227 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -60.300 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: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -554.568963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.568963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.568963 (E_RNA) where: Base-Base interactions energy: -302.992 where: short stacking energy: -175.292 Base-Backbone interact. energy: 1.932 local terms energy: -253.508983 where: bonds (distance) C4'-P energy: -70.561 bonds (distance) P-C4' energy: -86.300 flat angles C4'-P-C4' energy: -62.911 flat angles P-C4'-P energy: -34.596 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1811.355287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.355287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.355287 (E_RNA) where: Base-Base interactions energy: -1271.386 where: short stacking energy: -516.716 Base-Backbone interact. energy: -0.993 local terms energy: -538.976487 where: bonds (distance) C4'-P energy: -103.215 bonds (distance) P-C4' energy: -98.714 flat angles C4'-P-C4' energy: -117.299 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: -136.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1711.207601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.207601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.207601 (E_RNA) where: Base-Base interactions energy: -1204.745 where: short stacking energy: -507.705 Base-Backbone interact. energy: 0.764 local terms energy: -507.227378 where: bonds (distance) C4'-P energy: -91.764 bonds (distance) P-C4' energy: -86.069 flat angles C4'-P-C4' energy: -108.024 flat angles P-C4'-P energy: -73.502 tors. eta vs tors. theta energy: -147.869 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: 410 Temperature: 1.000000 Total energy: -1685.458770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.458770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.458770 (E_RNA) where: Base-Base interactions energy: -1191.952 where: short stacking energy: -490.863 Base-Backbone interact. energy: -1.679 local terms energy: -491.827945 where: bonds (distance) C4'-P energy: -90.951 bonds (distance) P-C4' energy: -93.674 flat angles C4'-P-C4' energy: -117.589 flat angles P-C4'-P energy: -72.937 tors. eta vs tors. theta energy: -116.677 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: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1587.613947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.613947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.613947 (E_RNA) where: Base-Base interactions energy: -1089.763 where: short stacking energy: -471.777 Base-Backbone interact. energy: -3.124 local terms energy: -494.727206 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -87.054 flat angles C4'-P-C4' energy: -110.867 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: -127.285 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: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1559.966643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.966643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.966643 (E_RNA) where: Base-Base interactions energy: -1077.029 where: short stacking energy: -452.488 Base-Backbone interact. energy: -2.963 local terms energy: -479.974915 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -103.281 flat angles C4'-P-C4' energy: -106.081 flat angles P-C4'-P energy: -62.409 tors. eta vs tors. theta energy: -128.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1410.336667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.336667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.336667 (E_RNA) where: Base-Base interactions energy: -941.627 where: short stacking energy: -413.680 Base-Backbone interact. energy: -2.710 local terms energy: -465.999349 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -96.224 flat angles C4'-P-C4' energy: -101.330 flat angles P-C4'-P energy: -68.546 tors. eta vs tors. theta energy: -109.306 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: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1199.811199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.811199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.811199 (E_RNA) where: Base-Base interactions energy: -816.130 where: short stacking energy: -318.917 Base-Backbone interact. energy: -3.014 local terms energy: -380.667573 where: bonds (distance) C4'-P energy: -74.434 bonds (distance) P-C4' energy: -96.130 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -61.923 tors. eta vs tors. theta energy: -57.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1203.638465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.638465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.638465 (E_RNA) where: Base-Base interactions energy: -788.879 where: short stacking energy: -334.334 Base-Backbone interact. energy: -1.897 local terms energy: -412.863408 where: bonds (distance) C4'-P energy: -78.134 bonds (distance) P-C4' energy: -85.188 flat angles C4'-P-C4' energy: -102.824 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -87.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -948.601214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.601214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.601214 (E_RNA) where: Base-Base interactions energy: -603.029 where: short stacking energy: -280.894 Base-Backbone interact. energy: -3.315 local terms energy: -342.257704 where: bonds (distance) C4'-P energy: -83.685 bonds (distance) P-C4' energy: -78.277 flat angles C4'-P-C4' energy: -82.294 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -50.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -581.661749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.661749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.661749 (E_RNA) where: Base-Base interactions energy: -292.552 where: short stacking energy: -185.923 Base-Backbone interact. energy: 0.529 local terms energy: -289.638583 where: bonds (distance) C4'-P energy: -70.583 bonds (distance) P-C4' energy: -87.677 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -41.991 tors. eta vs tors. theta energy: -13.026 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: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1801.740298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.740298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.740298 (E_RNA) where: Base-Base interactions energy: -1287.931 where: short stacking energy: -537.347 Base-Backbone interact. energy: -2.423 local terms energy: -511.386866 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -100.832 flat angles C4'-P-C4' energy: -108.881 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -145.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1736.725670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.725670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.725670 (E_RNA) where: Base-Base interactions energy: -1210.071 where: short stacking energy: -536.531 Base-Backbone interact. energy: -0.520 local terms energy: -526.134556 where: bonds (distance) C4'-P energy: -88.484 bonds (distance) P-C4' energy: -101.643 flat angles C4'-P-C4' energy: -106.891 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -165.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1673.238840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.238840 (E_RNA) where: Base-Base interactions energy: -1201.985 where: short stacking energy: -469.015 Base-Backbone interact. energy: -1.914 local terms energy: -469.340525 where: bonds (distance) C4'-P energy: -99.342 bonds (distance) P-C4' energy: -93.258 flat angles C4'-P-C4' energy: -94.773 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -120.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1576.330229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.330229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.330229 (E_RNA) where: Base-Base interactions energy: -1106.975 where: short stacking energy: -483.529 Base-Backbone interact. energy: -0.777 local terms energy: -468.578563 where: bonds (distance) C4'-P energy: -81.104 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -109.017 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -128.933 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: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1598.854895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.854895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.854895 (E_RNA) where: Base-Base interactions energy: -1124.823 where: short stacking energy: -472.368 Base-Backbone interact. energy: 0.358 local terms energy: -474.389695 where: bonds (distance) C4'-P energy: -80.163 bonds (distance) P-C4' energy: -91.128 flat angles C4'-P-C4' energy: -107.607 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -133.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1363.655308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.655308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.655308 (E_RNA) where: Base-Base interactions energy: -935.386 where: short stacking energy: -394.083 Base-Backbone interact. energy: -1.408 local terms energy: -426.862150 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -83.829 flat angles C4'-P-C4' energy: -90.204 flat angles P-C4'-P energy: -63.305 tors. eta vs tors. theta energy: -99.518 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: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1222.634082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.634082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.634082 (E_RNA) where: Base-Base interactions energy: -832.884 where: short stacking energy: -351.131 Base-Backbone interact. energy: -3.199 local terms energy: -386.551263 where: bonds (distance) C4'-P energy: -76.099 bonds (distance) P-C4' energy: -85.381 flat angles C4'-P-C4' energy: -90.149 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -76.117 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: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1128.923137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.923137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.923137 (E_RNA) where: Base-Base interactions energy: -751.050 where: short stacking energy: -311.740 Base-Backbone interact. energy: -3.199 local terms energy: -374.674644 where: bonds (distance) C4'-P energy: -97.336 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -88.925 flat angles P-C4'-P energy: -52.843 tors. eta vs tors. theta energy: -65.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -908.620869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.620869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.620869 (E_RNA) where: Base-Base interactions energy: -560.417 where: short stacking energy: -268.883 Base-Backbone interact. energy: -0.815 local terms energy: -347.388924 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -85.130 flat angles C4'-P-C4' energy: -79.809 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -61.980 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: 6 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -542.026313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.026313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.026313 (E_RNA) where: Base-Base interactions energy: -292.557 where: short stacking energy: -155.585 Base-Backbone interact. energy: 4.352 local terms energy: -253.821681 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -70.586 flat angles C4'-P-C4' energy: -61.820 flat angles P-C4'-P energy: -38.781 tors. eta vs tors. theta energy: 3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1801.929143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.929143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.929143 (E_RNA) where: Base-Base interactions energy: -1293.402 where: short stacking energy: -528.243 Base-Backbone interact. energy: 0.624 local terms energy: -509.151613 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -103.695 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: -142.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1718.247601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.247601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.247601 (E_RNA) where: Base-Base interactions energy: -1165.392 where: short stacking energy: -517.001 Base-Backbone interact. energy: -0.241 local terms energy: -552.614314 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -95.065 flat angles C4'-P-C4' energy: -110.392 flat angles P-C4'-P energy: -89.526 tors. eta vs tors. theta energy: -152.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1668.021024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.021024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.021024 (E_RNA) where: Base-Base interactions energy: -1204.037 where: short stacking energy: -473.954 Base-Backbone interact. energy: -2.610 local terms energy: -461.374244 where: bonds (distance) C4'-P energy: -70.508 bonds (distance) P-C4' energy: -102.606 flat angles C4'-P-C4' energy: -102.999 flat angles P-C4'-P energy: -60.853 tors. eta vs tors. theta energy: -124.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1594.179860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.179860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.179860 (E_RNA) where: Base-Base interactions energy: -1097.013 where: short stacking energy: -469.913 Base-Backbone interact. energy: -3.421 local terms energy: -493.745030 where: bonds (distance) C4'-P energy: -89.583 bonds (distance) P-C4' energy: -100.602 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -132.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1597.936250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.936250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.936250 (E_RNA) where: Base-Base interactions energy: -1106.462 where: short stacking energy: -472.625 Base-Backbone interact. energy: -0.420 local terms energy: -491.054042 where: bonds (distance) C4'-P energy: -90.828 bonds (distance) P-C4' energy: -85.568 flat angles C4'-P-C4' energy: -102.464 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -141.430 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: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1416.574156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.574156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.574156 (E_RNA) where: Base-Base interactions energy: -972.128 where: short stacking energy: -399.966 Base-Backbone interact. energy: -1.558 local terms energy: -442.888471 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -80.571 flat angles C4'-P-C4' energy: -103.900 flat angles P-C4'-P energy: -67.830 tors. eta vs tors. theta energy: -104.719 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: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1301.390256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.390256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.390256 (E_RNA) where: Base-Base interactions energy: -876.485 where: short stacking energy: -362.423 Base-Backbone interact. energy: -2.719 local terms energy: -422.185989 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -82.765 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -99.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1161.638980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.638980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.638980 (E_RNA) where: Base-Base interactions energy: -764.261 where: short stacking energy: -342.276 Base-Backbone interact. energy: 0.514 local terms energy: -397.892158 where: bonds (distance) C4'-P energy: -84.594 bonds (distance) P-C4' energy: -76.155 flat angles C4'-P-C4' energy: -91.204 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -78.669 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: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -944.662670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.662670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.662670 (E_RNA) where: Base-Base interactions energy: -643.801 where: short stacking energy: -281.842 Base-Backbone interact. energy: -0.144 local terms energy: -300.717876 where: bonds (distance) C4'-P energy: -51.000 bonds (distance) P-C4' energy: -68.450 flat angles C4'-P-C4' energy: -82.893 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -48.897 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: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -527.573770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.573770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.573770 (E_RNA) where: Base-Base interactions energy: -267.088 where: short stacking energy: -148.130 Base-Backbone interact. energy: -1.227 local terms energy: -259.258859 where: bonds (distance) C4'-P energy: -83.197 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -70.269 flat angles P-C4'-P energy: -36.140 tors. eta vs tors. theta energy: 12.675 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: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1805.656157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.656157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.656157 (E_RNA) where: Base-Base interactions energy: -1269.034 where: short stacking energy: -516.647 Base-Backbone interact. energy: -1.155 local terms energy: -535.466889 where: bonds (distance) C4'-P energy: -93.076 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -118.306 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -135.976 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: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1718.919576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.919576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.919576 (E_RNA) where: Base-Base interactions energy: -1194.750 where: short stacking energy: -521.586 Base-Backbone interact. energy: 1.131 local terms energy: -525.300635 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -99.633 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -152.741 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: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1639.408647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.408647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.408647 (E_RNA) where: Base-Base interactions energy: -1190.088 where: short stacking energy: -448.824 Base-Backbone interact. energy: -0.708 local terms energy: -448.612302 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -96.746 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: -109.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1586.866668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.866668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.866668 (E_RNA) where: Base-Base interactions energy: -1095.183 where: short stacking energy: -488.700 Base-Backbone interact. energy: -2.268 local terms energy: -489.415223 where: bonds (distance) C4'-P energy: -85.008 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -113.028 flat angles P-C4'-P energy: -73.090 tors. eta vs tors. theta energy: -135.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1581.671069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.671069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.671069 (E_RNA) where: Base-Base interactions energy: -1102.037 where: short stacking energy: -471.233 Base-Backbone interact. energy: -1.721 local terms energy: -477.913613 where: bonds (distance) C4'-P energy: -79.009 bonds (distance) P-C4' energy: -100.163 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -63.836 tors. eta vs tors. theta energy: -131.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1399.512125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.512125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.512125 (E_RNA) where: Base-Base interactions energy: -952.895 where: short stacking energy: -398.567 Base-Backbone interact. energy: 0.540 local terms energy: -447.156254 where: bonds (distance) C4'-P energy: -89.449 bonds (distance) P-C4' energy: -90.443 flat angles C4'-P-C4' energy: -99.287 flat angles P-C4'-P energy: -66.755 tors. eta vs tors. theta energy: -101.222 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: 413 Temperature: 1.200000 Total energy: -1275.359372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.359372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.359372 (E_RNA) where: Base-Base interactions energy: -867.827 where: short stacking energy: -363.939 Base-Backbone interact. energy: -0.398 local terms energy: -407.134181 where: bonds (distance) C4'-P energy: -85.107 bonds (distance) P-C4' energy: -81.380 flat angles C4'-P-C4' energy: -96.405 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -99.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1164.325999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.325999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.325999 (E_RNA) where: Base-Base interactions energy: -769.681 where: short stacking energy: -358.732 Base-Backbone interact. energy: -2.935 local terms energy: -391.710432 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -86.236 flat angles C4'-P-C4' energy: -82.121 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -85.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -998.335845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.335845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.335845 (E_RNA) where: Base-Base interactions energy: -626.016 where: short stacking energy: -290.773 Base-Backbone interact. energy: -0.937 local terms energy: -371.382886 where: bonds (distance) C4'-P energy: -67.596 bonds (distance) P-C4' energy: -84.953 flat angles C4'-P-C4' energy: -89.891 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -62.023 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: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -571.298872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.298872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.298872 (E_RNA) where: Base-Base interactions energy: -296.881 where: short stacking energy: -172.665 Base-Backbone interact. energy: 5.712 local terms energy: -280.129513 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -93.665 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1812.255706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.255706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.255706 (E_RNA) where: Base-Base interactions energy: -1293.981 where: short stacking energy: -525.071 Base-Backbone interact. energy: -0.306 local terms energy: -517.968668 where: bonds (distance) C4'-P energy: -93.018 bonds (distance) P-C4' energy: -85.337 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -83.426 tors. eta vs tors. theta energy: -145.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1714.609400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.609400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.609400 (E_RNA) where: Base-Base interactions energy: -1200.077 where: short stacking energy: -510.299 Base-Backbone interact. energy: 2.238 local terms energy: -516.771074 where: bonds (distance) C4'-P energy: -100.461 bonds (distance) P-C4' energy: -92.282 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -143.858 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: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1654.950221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.950221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.950221 (E_RNA) where: Base-Base interactions energy: -1168.877 where: short stacking energy: -456.658 Base-Backbone interact. energy: -5.006 local terms energy: -481.067742 where: bonds (distance) C4'-P energy: -79.485 bonds (distance) P-C4' energy: -84.303 flat angles C4'-P-C4' energy: -113.582 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -126.914 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: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1591.611791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.611791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.611791 (E_RNA) where: Base-Base interactions energy: -1086.663 where: short stacking energy: -480.390 Base-Backbone interact. energy: -2.821 local terms energy: -502.127697 where: bonds (distance) C4'-P energy: -95.942 bonds (distance) P-C4' energy: -90.505 flat angles C4'-P-C4' energy: -111.498 flat angles P-C4'-P energy: -63.879 tors. eta vs tors. theta energy: -140.304 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: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1529.656075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.656075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.656075 (E_RNA) where: Base-Base interactions energy: -1050.991 where: short stacking energy: -435.171 Base-Backbone interact. energy: -1.467 local terms energy: -477.197580 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -91.990 flat angles C4'-P-C4' energy: -91.137 flat angles P-C4'-P energy: -64.796 tors. eta vs tors. theta energy: -135.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1421.913294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.913294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.913294 (E_RNA) where: Base-Base interactions energy: -970.739 where: short stacking energy: -417.814 Base-Backbone interact. energy: -1.161 local terms energy: -450.012698 where: bonds (distance) C4'-P energy: -80.673 bonds (distance) P-C4' energy: -94.511 flat angles C4'-P-C4' energy: -98.033 flat angles P-C4'-P energy: -55.119 tors. eta vs tors. theta energy: -121.677 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1262.822178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.822178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.822178 (E_RNA) where: Base-Base interactions energy: -833.120 where: short stacking energy: -359.077 Base-Backbone interact. energy: -1.005 local terms energy: -428.696937 where: bonds (distance) C4'-P energy: -85.311 bonds (distance) P-C4' energy: -85.484 flat angles C4'-P-C4' energy: -100.767 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -91.783 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: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1158.051438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.051438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.051438 (E_RNA) where: Base-Base interactions energy: -762.099 where: short stacking energy: -337.021 Base-Backbone interact. energy: -3.511 local terms energy: -392.441730 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -90.991 flat angles C4'-P-C4' energy: -86.008 flat angles P-C4'-P energy: -55.147 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: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -876.885356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.885356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.885356 (E_RNA) where: Base-Base interactions energy: -567.811 where: short stacking energy: -268.943 Base-Backbone interact. energy: 15.601 local terms energy: -324.675495 where: bonds (distance) C4'-P energy: -68.508 bonds (distance) P-C4' energy: -87.373 flat angles C4'-P-C4' energy: -80.081 flat angles P-C4'-P energy: -32.227 tors. eta vs tors. theta energy: -56.488 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: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -531.683078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.683078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.683078 (E_RNA) where: Base-Base interactions energy: -282.148 where: short stacking energy: -166.254 Base-Backbone interact. energy: 3.902 local terms energy: -253.436917 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -82.230 flat angles C4'-P-C4' energy: -46.642 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -2.451 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: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1800.306176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.306176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.306176 (E_RNA) where: Base-Base interactions energy: -1271.437 where: short stacking energy: -517.408 Base-Backbone interact. energy: -2.005 local terms energy: -526.863857 where: bonds (distance) C4'-P energy: -96.455 bonds (distance) P-C4' energy: -99.241 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -147.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1727.537770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.537770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.537770 (E_RNA) where: Base-Base interactions energy: -1203.178 where: short stacking energy: -510.943 Base-Backbone interact. energy: 0.843 local terms energy: -525.202870 where: bonds (distance) C4'-P energy: -98.614 bonds (distance) P-C4' energy: -99.703 flat angles C4'-P-C4' energy: -110.065 flat angles P-C4'-P energy: -71.655 tors. eta vs tors. theta energy: -145.165 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: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1695.003291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.003291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.003291 (E_RNA) where: Base-Base interactions energy: -1191.421 where: short stacking energy: -457.680 Base-Backbone interact. energy: -2.570 local terms energy: -501.012853 where: bonds (distance) C4'-P energy: -107.053 bonds (distance) P-C4' energy: -89.715 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -64.375 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: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1612.455706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.455706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.455706 (E_RNA) where: Base-Base interactions energy: -1111.199 where: short stacking energy: -504.127 Base-Backbone interact. energy: 5.349 local terms energy: -506.605857 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -109.383 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -140.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1573.729639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.729639 (E_RNA) where: Base-Base interactions energy: -1115.197 where: short stacking energy: -483.585 Base-Backbone interact. energy: -0.347 local terms energy: -458.186408 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -73.542 flat angles C4'-P-C4' energy: -99.960 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -142.710 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: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1445.522914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.522914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.522914 (E_RNA) where: Base-Base interactions energy: -996.946 where: short stacking energy: -437.018 Base-Backbone interact. energy: -0.145 local terms energy: -448.431492 where: bonds (distance) C4'-P energy: -86.686 bonds (distance) P-C4' energy: -91.639 flat angles C4'-P-C4' energy: -89.650 flat angles P-C4'-P energy: -52.858 tors. eta vs tors. theta energy: -127.599 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: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1271.482316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.482316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.482316 (E_RNA) where: Base-Base interactions energy: -861.826 where: short stacking energy: -359.515 Base-Backbone interact. energy: -1.875 local terms energy: -407.781369 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -83.678 flat angles C4'-P-C4' energy: -88.522 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -99.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1132.111526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.111526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.111526 (E_RNA) where: Base-Base interactions energy: -752.837 where: short stacking energy: -351.406 Base-Backbone interact. energy: -1.373 local terms energy: -377.901349 where: bonds (distance) C4'-P energy: -77.087 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: -79.372 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: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -880.538500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.538500 (E_RNA) where: Base-Base interactions energy: -548.660 where: short stacking energy: -263.014 Base-Backbone interact. energy: -0.259 local terms energy: -331.620303 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -77.823 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -46.766 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: 415 Temperature: 1.350000 Total energy: -597.340357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.340357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.340357 (E_RNA) where: Base-Base interactions energy: -322.904 where: short stacking energy: -189.333 Base-Backbone interact. energy: -0.394 local terms energy: -274.042355 where: bonds (distance) C4'-P energy: -81.775 bonds (distance) P-C4' energy: -75.801 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -37.490 tors. eta vs tors. theta energy: -11.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1804.738480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.738480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.738480 (E_RNA) where: Base-Base interactions energy: -1293.052 where: short stacking energy: -534.508 Base-Backbone interact. energy: -0.869 local terms energy: -510.817067 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -94.690 flat angles C4'-P-C4' energy: -112.160 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -147.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1739.348082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.348082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.348082 (E_RNA) where: Base-Base interactions energy: -1211.513 where: short stacking energy: -517.118 Base-Backbone interact. energy: -1.192 local terms energy: -526.642571 where: bonds (distance) C4'-P energy: -94.802 bonds (distance) P-C4' energy: -101.973 flat angles C4'-P-C4' energy: -113.509 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -149.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1658.607355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.607355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.607355 (E_RNA) where: Base-Base interactions energy: -1157.877 where: short stacking energy: -480.685 Base-Backbone interact. energy: -0.612 local terms energy: -500.119079 where: bonds (distance) C4'-P energy: -95.080 bonds (distance) P-C4' energy: -92.262 flat angles C4'-P-C4' energy: -106.217 flat angles P-C4'-P energy: -77.151 tors. eta vs tors. theta energy: -129.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1626.045845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.045845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.045845 (E_RNA) where: Base-Base interactions energy: -1124.866 where: short stacking energy: -494.430 Base-Backbone interact. energy: -1.587 local terms energy: -499.593125 where: bonds (distance) C4'-P energy: -91.082 bonds (distance) P-C4' energy: -93.232 flat angles C4'-P-C4' energy: -103.214 flat angles P-C4'-P energy: -70.693 tors. eta vs tors. theta energy: -141.372 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: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1602.579671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.579671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.579671 (E_RNA) where: Base-Base interactions energy: -1119.280 where: short stacking energy: -481.553 Base-Backbone interact. energy: 2.313 local terms energy: -485.613331 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -87.773 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: -142.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1409.715166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.715166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.715166 (E_RNA) where: Base-Base interactions energy: -963.144 where: short stacking energy: -416.805 Base-Backbone interact. energy: 1.645 local terms energy: -448.216377 where: bonds (distance) C4'-P energy: -90.703 bonds (distance) P-C4' energy: -88.836 flat angles C4'-P-C4' energy: -92.033 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: -114.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1221.872455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.872455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.872455 (E_RNA) where: Base-Base interactions energy: -838.180 where: short stacking energy: -362.387 Base-Backbone interact. energy: -3.594 local terms energy: -380.098359 where: bonds (distance) C4'-P energy: -75.993 bonds (distance) P-C4' energy: -89.765 flat angles C4'-P-C4' energy: -86.442 flat angles P-C4'-P energy: -37.488 tors. eta vs tors. theta energy: -90.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1109.254350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.254350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.254350 (E_RNA) where: Base-Base interactions energy: -725.975 where: short stacking energy: -319.516 Base-Backbone interact. energy: -2.112 local terms energy: -381.167316 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -88.378 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -58.973 tors. eta vs tors. theta energy: -81.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -886.621150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.621150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.621150 (E_RNA) where: Base-Base interactions energy: -560.772 where: short stacking energy: -259.271 Base-Backbone interact. energy: -0.734 local terms energy: -325.114624 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -102.453 flat angles C4'-P-C4' energy: -68.445 flat angles P-C4'-P energy: -45.746 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: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -512.514327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.514327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.514327 (E_RNA) where: Base-Base interactions energy: -240.734 where: short stacking energy: -136.152 Base-Backbone interact. energy: 0.786 local terms energy: -272.566282 where: bonds (distance) C4'-P energy: -85.096 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: 12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1814.525971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.525971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.525971 (E_RNA) where: Base-Base interactions energy: -1274.692 where: short stacking energy: -523.888 Base-Backbone interact. energy: 0.511 local terms energy: -540.344632 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -99.207 flat angles C4'-P-C4' energy: -121.547 flat angles P-C4'-P energy: -76.557 tors. eta vs tors. theta energy: -146.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1741.155714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.155714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.155714 (E_RNA) where: Base-Base interactions energy: -1199.916 where: short stacking energy: -525.989 Base-Backbone interact. energy: -1.248 local terms energy: -539.991373 where: bonds (distance) C4'-P energy: -93.420 bonds (distance) P-C4' energy: -91.646 flat angles C4'-P-C4' energy: -114.305 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -155.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1627.579154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.579154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.579154 (E_RNA) where: Base-Base interactions energy: -1145.204 where: short stacking energy: -485.485 Base-Backbone interact. energy: 2.833 local terms energy: -485.208465 where: bonds (distance) C4'-P energy: -105.275 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -122.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1595.948629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.948629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.948629 (E_RNA) where: Base-Base interactions energy: -1081.471 where: short stacking energy: -476.825 Base-Backbone interact. energy: -1.444 local terms energy: -513.034294 where: bonds (distance) C4'-P energy: -90.520 bonds (distance) P-C4' energy: -102.385 flat angles C4'-P-C4' energy: -108.887 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -147.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1598.114863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.114863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.114863 (E_RNA) where: Base-Base interactions energy: -1123.689 where: short stacking energy: -481.652 Base-Backbone interact. energy: -1.054 local terms energy: -473.372616 where: bonds (distance) C4'-P energy: -86.937 bonds (distance) P-C4' energy: -85.993 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -136.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1382.248105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.248105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.248105 (E_RNA) where: Base-Base interactions energy: -962.891 where: short stacking energy: -387.987 Base-Backbone interact. energy: 2.682 local terms energy: -422.038723 where: bonds (distance) C4'-P energy: -82.153 bonds (distance) P-C4' energy: -86.229 flat angles C4'-P-C4' energy: -86.763 flat angles P-C4'-P energy: -65.241 tors. eta vs tors. theta energy: -101.653 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: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1228.908013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.908013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.908013 (E_RNA) where: Base-Base interactions energy: -843.029 where: short stacking energy: -345.853 Base-Backbone interact. energy: -1.833 local terms energy: -384.045982 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -82.761 flat angles P-C4'-P energy: -62.697 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: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1090.599530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.599530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.599530 (E_RNA) where: Base-Base interactions energy: -710.905 where: short stacking energy: -316.359 Base-Backbone interact. energy: -0.541 local terms energy: -379.154331 where: bonds (distance) C4'-P energy: -71.413 bonds (distance) P-C4' energy: -91.881 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -67.152 tors. eta vs tors. theta energy: -61.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -862.966180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.966180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.966180 (E_RNA) where: Base-Base interactions energy: -544.954 where: short stacking energy: -254.264 Base-Backbone interact. energy: 0.893 local terms energy: -318.905367 where: bonds (distance) C4'-P energy: -75.935 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -77.203 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -43.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -554.151554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.151554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.151554 (E_RNA) where: Base-Base interactions energy: -276.996 where: short stacking energy: -147.383 Base-Backbone interact. energy: 0.182 local terms energy: -277.337373 where: bonds (distance) C4'-P energy: -68.754 bonds (distance) P-C4' energy: -93.481 flat angles C4'-P-C4' energy: -70.317 flat angles P-C4'-P energy: -39.470 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: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1805.134064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.134064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.134064 (E_RNA) where: Base-Base interactions energy: -1293.633 where: short stacking energy: -539.248 Base-Backbone interact. energy: -0.691 local terms energy: -510.810169 where: bonds (distance) C4'-P energy: -99.660 bonds (distance) P-C4' energy: -93.562 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -65.833 tors. eta vs tors. theta energy: -145.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1748.884038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.884038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.884038 (E_RNA) where: Base-Base interactions energy: -1238.598 where: short stacking energy: -529.597 Base-Backbone interact. energy: -1.829 local terms energy: -508.456897 where: bonds (distance) C4'-P energy: -84.741 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -78.728 tors. eta vs tors. theta energy: -152.521 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: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1631.160950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.160950 (E_RNA) where: Base-Base interactions energy: -1150.044 where: short stacking energy: -466.045 Base-Backbone interact. energy: 0.591 local terms energy: -481.708305 where: bonds (distance) C4'-P energy: -81.425 bonds (distance) P-C4' energy: -92.912 flat angles C4'-P-C4' energy: -112.044 flat angles P-C4'-P energy: -64.436 tors. eta vs tors. theta energy: -130.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1587.276151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.276151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.276151 (E_RNA) where: Base-Base interactions energy: -1096.007 where: short stacking energy: -470.509 Base-Backbone interact. energy: 0.350 local terms energy: -491.619423 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -103.342 flat angles C4'-P-C4' energy: -109.199 flat angles P-C4'-P energy: -60.821 tors. eta vs tors. theta energy: -141.909 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1617.115017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.115017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.115017 (E_RNA) where: Base-Base interactions energy: -1129.714 where: short stacking energy: -475.226 Base-Backbone interact. energy: -2.161 local terms energy: -485.240210 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -84.283 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -145.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1386.250895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.250895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.250895 (E_RNA) where: Base-Base interactions energy: -968.300 where: short stacking energy: -422.120 Base-Backbone interact. energy: -1.617 local terms energy: -416.333867 where: bonds (distance) C4'-P energy: -78.852 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -105.379 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: -112.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1252.193690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.193690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.193690 (E_RNA) where: Base-Base interactions energy: -850.486 where: short stacking energy: -362.329 Base-Backbone interact. energy: -0.321 local terms energy: -401.386834 where: bonds (distance) C4'-P energy: -76.620 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -84.426 flat angles P-C4'-P energy: -69.144 tors. eta vs tors. theta energy: -93.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1134.026279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.026279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.026279 (E_RNA) where: Base-Base interactions energy: -718.653 where: short stacking energy: -311.411 Base-Backbone interact. energy: 2.456 local terms energy: -417.828433 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -105.918 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -72.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -874.982452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.982452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.982452 (E_RNA) where: Base-Base interactions energy: -565.285 where: short stacking energy: -243.079 Base-Backbone interact. energy: -0.421 local terms energy: -309.276446 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -84.009 flat angles C4'-P-C4' energy: -70.199 flat angles P-C4'-P energy: -48.345 tors. eta vs tors. theta energy: -30.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -561.135872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.135872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.135872 (E_RNA) where: Base-Base interactions energy: -286.322 where: short stacking energy: -163.904 Base-Backbone interact. energy: 1.215 local terms energy: -276.029226 where: bonds (distance) C4'-P energy: -79.296 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -33.325 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1806.469243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.469243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.469243 (E_RNA) where: Base-Base interactions energy: -1297.321 where: short stacking energy: -522.042 Base-Backbone interact. energy: -1.885 local terms energy: -507.263661 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -98.986 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: -144.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1744.012295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.012295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.012295 (E_RNA) where: Base-Base interactions energy: -1211.113 where: short stacking energy: -503.724 Base-Backbone interact. energy: -1.656 local terms energy: -531.243808 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -96.376 flat angles C4'-P-C4' energy: -120.361 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -155.781 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: 419 Temperature: 1.000000 Total energy: -1612.631405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.631405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.631405 (E_RNA) where: Base-Base interactions energy: -1146.839 where: short stacking energy: -486.827 Base-Backbone interact. energy: -1.141 local terms energy: -464.651787 where: bonds (distance) C4'-P energy: -87.959 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -110.695 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: -127.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1643.900880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.900880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.900880 (E_RNA) where: Base-Base interactions energy: -1141.801 where: short stacking energy: -488.233 Base-Backbone interact. energy: -2.078 local terms energy: -500.021455 where: bonds (distance) C4'-P energy: -89.692 bonds (distance) P-C4' energy: -97.035 flat angles C4'-P-C4' energy: -104.152 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: -144.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1537.881795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.881795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.881795 (E_RNA) where: Base-Base interactions energy: -1060.810 where: short stacking energy: -455.941 Base-Backbone interact. energy: -1.961 local terms energy: -475.110691 where: bonds (distance) C4'-P energy: -89.406 bonds (distance) P-C4' energy: -77.770 flat angles C4'-P-C4' energy: -102.602 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -130.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1414.054626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.054626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.054626 (E_RNA) where: Base-Base interactions energy: -972.314 where: short stacking energy: -422.273 Base-Backbone interact. energy: -1.531 local terms energy: -440.210124 where: bonds (distance) C4'-P energy: -73.508 bonds (distance) P-C4' energy: -92.613 flat angles C4'-P-C4' energy: -100.358 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -120.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1248.390664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.390664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.390664 (E_RNA) where: Base-Base interactions energy: -873.055 where: short stacking energy: -367.622 Base-Backbone interact. energy: -1.919 local terms energy: -373.416741 where: bonds (distance) C4'-P energy: -70.046 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -89.184 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -92.531 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: 419 Temperature: 1.250000 Total energy: -1083.381765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.381765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.381765 (E_RNA) where: Base-Base interactions energy: -691.552 where: short stacking energy: -320.616 Base-Backbone interact. energy: -1.409 local terms energy: -390.420345 where: bonds (distance) C4'-P energy: -78.116 bonds (distance) P-C4' energy: -78.517 flat angles C4'-P-C4' energy: -91.413 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -88.411 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: 419 Temperature: 1.300000 Total energy: -988.059896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.059896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.059896 (E_RNA) where: Base-Base interactions energy: -633.126 where: short stacking energy: -296.350 Base-Backbone interact. energy: -1.710 local terms energy: -353.223489 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -81.243 flat angles C4'-P-C4' energy: -81.720 flat angles P-C4'-P energy: -57.026 tors. eta vs tors. theta energy: -54.538 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: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -557.886366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.886366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.886366 (E_RNA) where: Base-Base interactions energy: -311.847 where: short stacking energy: -170.507 Base-Backbone interact. energy: -1.748 local terms energy: -244.291282 where: bonds (distance) C4'-P energy: -74.325 bonds (distance) P-C4' energy: -73.861 flat angles C4'-P-C4' energy: -59.591 flat angles P-C4'-P energy: -32.383 tors. eta vs tors. theta energy: -4.131 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: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1803.684181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.684181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.684181 (E_RNA) where: Base-Base interactions energy: -1254.468 where: short stacking energy: -513.839 Base-Backbone interact. energy: -3.246 local terms energy: -545.970882 where: bonds (distance) C4'-P energy: -105.876 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -114.155 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -150.757 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: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1732.398844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.398844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.398844 (E_RNA) where: Base-Base interactions energy: -1217.990 where: short stacking energy: -513.802 Base-Backbone interact. energy: -0.259 local terms energy: -514.149606 where: bonds (distance) C4'-P energy: -91.658 bonds (distance) P-C4' energy: -89.975 flat angles C4'-P-C4' energy: -110.695 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -151.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1675.147671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.147671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.147671 (E_RNA) where: Base-Base interactions energy: -1159.363 where: short stacking energy: -519.338 Base-Backbone interact. energy: -0.962 local terms energy: -514.822918 where: bonds (distance) C4'-P energy: -88.551 bonds (distance) P-C4' energy: -95.776 flat angles C4'-P-C4' energy: -112.236 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -145.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1620.152120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.152120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.152120 (E_RNA) where: Base-Base interactions energy: -1145.215 where: short stacking energy: -480.008 Base-Backbone interact. energy: -4.746 local terms energy: -470.191280 where: bonds (distance) C4'-P energy: -89.457 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -112.753 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -127.941 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1527.381147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.381147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.381147 (E_RNA) where: Base-Base interactions energy: -1053.376 where: short stacking energy: -451.199 Base-Backbone interact. energy: -1.909 local terms energy: -472.096825 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -91.088 flat angles C4'-P-C4' energy: -88.013 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -128.530 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: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1390.475362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.475362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.475362 (E_RNA) where: Base-Base interactions energy: -961.228 where: short stacking energy: -410.935 Base-Backbone interact. energy: 3.492 local terms energy: -432.739261 where: bonds (distance) C4'-P energy: -84.628 bonds (distance) P-C4' energy: -71.207 flat angles C4'-P-C4' energy: -101.757 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -110.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1290.130700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.130700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.130700 (E_RNA) where: Base-Base interactions energy: -856.167 where: short stacking energy: -369.109 Base-Backbone interact. energy: -1.668 local terms energy: -432.295471 where: bonds (distance) C4'-P energy: -90.242 bonds (distance) P-C4' energy: -76.139 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -65.887 tors. eta vs tors. theta energy: -98.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1059.750521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.750521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.750521 (E_RNA) where: Base-Base interactions energy: -703.957 where: short stacking energy: -326.921 Base-Backbone interact. energy: -2.023 local terms energy: -353.770812 where: bonds (distance) C4'-P energy: -75.152 bonds (distance) P-C4' energy: -86.981 flat angles C4'-P-C4' energy: -80.964 flat angles P-C4'-P energy: -55.513 tors. eta vs tors. theta energy: -55.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -995.432625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.432625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.432625 (E_RNA) where: Base-Base interactions energy: -645.506 where: short stacking energy: -314.699 Base-Backbone interact. energy: -0.121 local terms energy: -349.805175 where: bonds (distance) C4'-P energy: -79.420 bonds (distance) P-C4' energy: -78.619 flat angles C4'-P-C4' energy: -83.865 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -58.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -564.378814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.378814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.378814 (E_RNA) where: Base-Base interactions energy: -297.217 where: short stacking energy: -162.435 Base-Backbone interact. energy: -2.311 local terms energy: -264.851625 where: bonds (distance) C4'-P energy: -69.249 bonds (distance) P-C4' energy: -80.853 flat angles C4'-P-C4' energy: -63.855 flat angles P-C4'-P energy: -50.789 tors. eta vs tors. theta energy: -0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1815.114949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.114949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.114949 (E_RNA) where: Base-Base interactions energy: -1296.590 where: short stacking energy: -531.704 Base-Backbone interact. energy: -3.828 local terms energy: -514.697399 where: bonds (distance) C4'-P energy: -96.120 bonds (distance) P-C4' energy: -96.492 flat angles C4'-P-C4' energy: -117.940 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -145.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1721.380817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.380817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.380817 (E_RNA) where: Base-Base interactions energy: -1183.105 where: short stacking energy: -482.443 Base-Backbone interact. energy: -3.243 local terms energy: -535.032777 where: bonds (distance) C4'-P energy: -93.321 bonds (distance) P-C4' energy: -108.461 flat angles C4'-P-C4' energy: -109.048 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -148.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1653.645379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.645379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.645379 (E_RNA) where: Base-Base interactions energy: -1152.664 where: short stacking energy: -501.895 Base-Backbone interact. energy: -3.989 local terms energy: -496.992359 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -100.383 flat angles C4'-P-C4' energy: -110.225 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -142.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1613.649679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.649679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.649679 (E_RNA) where: Base-Base interactions energy: -1142.350 where: short stacking energy: -459.286 Base-Backbone interact. energy: -2.573 local terms energy: -468.726275 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -84.328 flat angles C4'-P-C4' energy: -98.482 flat angles P-C4'-P energy: -59.837 tors. eta vs tors. theta energy: -137.090 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: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1564.440432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.440432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.440432 (E_RNA) where: Base-Base interactions energy: -1064.094 where: short stacking energy: -449.680 Base-Backbone interact. energy: -2.637 local terms energy: -497.710141 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -97.701 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -126.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1410.977897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.977897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.977897 (E_RNA) where: Base-Base interactions energy: -988.334 where: short stacking energy: -413.288 Base-Backbone interact. energy: -0.071 local terms energy: -422.572277 where: bonds (distance) C4'-P energy: -76.191 bonds (distance) P-C4' energy: -76.935 flat angles C4'-P-C4' energy: -91.111 flat angles P-C4'-P energy: -65.278 tors. eta vs tors. theta energy: -113.058 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1219.400123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.400123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.400123 (E_RNA) where: Base-Base interactions energy: -800.002 where: short stacking energy: -357.337 Base-Backbone interact. energy: -0.915 local terms energy: -418.482922 where: bonds (distance) C4'-P energy: -85.018 bonds (distance) P-C4' energy: -91.416 flat angles C4'-P-C4' energy: -97.109 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -84.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1106.025798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.025798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.025798 (E_RNA) where: Base-Base interactions energy: -736.382 where: short stacking energy: -331.664 Base-Backbone interact. energy: -2.442 local terms energy: -367.201964 where: bonds (distance) C4'-P energy: -73.218 bonds (distance) P-C4' energy: -86.890 flat angles C4'-P-C4' energy: -80.816 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: -64.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -974.037867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.037867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.037867 (E_RNA) where: Base-Base interactions energy: -621.145 where: short stacking energy: -272.705 Base-Backbone interact. energy: 1.275 local terms energy: -354.167544 where: bonds (distance) C4'-P energy: -83.633 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -87.956 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -57.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -555.833772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.833772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.833772 (E_RNA) where: Base-Base interactions energy: -311.740 where: short stacking energy: -162.730 Base-Backbone interact. energy: -0.512 local terms energy: -243.581400 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -67.659 flat angles C4'-P-C4' energy: -44.200 flat angles P-C4'-P energy: -49.177 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1827.706999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.706999 (E_RNA) where: Base-Base interactions energy: -1290.549 where: short stacking energy: -546.298 Base-Backbone interact. energy: -5.469 local terms energy: -531.688810 where: bonds (distance) C4'-P energy: -98.412 bonds (distance) P-C4' energy: -98.675 flat angles C4'-P-C4' energy: -114.691 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: -142.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1748.605800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.605800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.605800 (E_RNA) where: Base-Base interactions energy: -1234.594 where: short stacking energy: -544.285 Base-Backbone interact. energy: -2.457 local terms energy: -511.555213 where: bonds (distance) C4'-P energy: -97.388 bonds (distance) P-C4' energy: -88.060 flat angles C4'-P-C4' energy: -100.718 flat angles P-C4'-P energy: -71.661 tors. eta vs tors. theta energy: -153.727 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: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1663.332765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.332765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.332765 (E_RNA) where: Base-Base interactions energy: -1181.036 where: short stacking energy: -467.298 Base-Backbone interact. energy: -1.947 local terms energy: -480.349633 where: bonds (distance) C4'-P energy: -81.972 bonds (distance) P-C4' energy: -100.460 flat angles C4'-P-C4' energy: -100.645 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: -135.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1612.389061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.389061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.389061 (E_RNA) where: Base-Base interactions energy: -1140.548 where: short stacking energy: -492.652 Base-Backbone interact. energy: -2.159 local terms energy: -469.682643 where: bonds (distance) C4'-P energy: -87.879 bonds (distance) P-C4' energy: -95.141 flat angles C4'-P-C4' energy: -86.227 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -145.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1526.526951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.526951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.526951 (E_RNA) where: Base-Base interactions energy: -1063.038 where: short stacking energy: -480.561 Base-Backbone interact. energy: 6.202 local terms energy: -469.691023 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -90.266 flat angles C4'-P-C4' energy: -109.441 flat angles P-C4'-P energy: -49.786 tors. eta vs tors. theta energy: -139.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1418.642600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.642600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.642600 (E_RNA) where: Base-Base interactions energy: -978.615 where: short stacking energy: -445.117 Base-Backbone interact. energy: -2.495 local terms energy: -437.533537 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -101.592 flat angles C4'-P-C4' energy: -100.832 flat angles P-C4'-P energy: -49.695 tors. eta vs tors. theta energy: -120.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1242.921541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.921541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.921541 (E_RNA) where: Base-Base interactions energy: -861.754 where: short stacking energy: -365.959 Base-Backbone interact. energy: -2.105 local terms energy: -379.061721 where: bonds (distance) C4'-P energy: -67.915 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -87.576 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: -79.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1117.891952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.891952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.891952 (E_RNA) where: Base-Base interactions energy: -734.114 where: short stacking energy: -320.588 Base-Backbone interact. energy: -0.926 local terms energy: -382.851917 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -95.777 flat angles P-C4'-P energy: -52.581 tors. eta vs tors. theta energy: -78.059 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: 422 Temperature: 1.300000 Total energy: -1003.292650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.292650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.292650 (E_RNA) where: Base-Base interactions energy: -635.479 where: short stacking energy: -306.533 Base-Backbone interact. energy: -0.339 local terms energy: -367.474919 where: bonds (distance) C4'-P energy: -84.045 bonds (distance) P-C4' energy: -80.709 flat angles C4'-P-C4' energy: -76.013 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -69.988 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: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -535.514424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.514424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.514424 (E_RNA) where: Base-Base interactions energy: -285.704 where: short stacking energy: -154.650 Base-Backbone interact. energy: -0.633 local terms energy: -249.177460 where: bonds (distance) C4'-P energy: -58.347 bonds (distance) P-C4' energy: -74.576 flat angles C4'-P-C4' energy: -80.884 flat angles P-C4'-P energy: -41.274 tors. eta vs tors. theta energy: 5.904 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: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1793.881245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.881245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.881245 (E_RNA) where: Base-Base interactions energy: -1282.399 where: short stacking energy: -523.891 Base-Backbone interact. energy: 1.017 local terms energy: -512.499420 where: bonds (distance) C4'-P energy: -89.104 bonds (distance) P-C4' energy: -101.978 flat angles C4'-P-C4' energy: -113.348 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -142.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1775.386848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.386848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.386848 (E_RNA) where: Base-Base interactions energy: -1235.969 where: short stacking energy: -529.850 Base-Backbone interact. energy: -0.373 local terms energy: -539.044988 where: bonds (distance) C4'-P energy: -88.041 bonds (distance) P-C4' energy: -101.181 flat angles C4'-P-C4' energy: -118.085 flat angles P-C4'-P energy: -67.295 tors. eta vs tors. theta energy: -164.443 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: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1684.685648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.685648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.685648 (E_RNA) where: Base-Base interactions energy: -1198.512 where: short stacking energy: -470.505 Base-Backbone interact. energy: 0.065 local terms energy: -486.237781 where: bonds (distance) C4'-P energy: -97.010 bonds (distance) P-C4' energy: -90.096 flat angles C4'-P-C4' energy: -105.524 flat angles P-C4'-P energy: -57.214 tors. eta vs tors. theta energy: -136.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1598.505078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.505078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.505078 (E_RNA) where: Base-Base interactions energy: -1098.929 where: short stacking energy: -477.064 Base-Backbone interact. energy: -1.622 local terms energy: -497.953599 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -89.091 flat angles C4'-P-C4' energy: -104.000 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: -141.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1517.504099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.504099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.504099 (E_RNA) where: Base-Base interactions energy: -1037.588 where: short stacking energy: -455.732 Base-Backbone interact. energy: 0.490 local terms energy: -480.406749 where: bonds (distance) C4'-P energy: -86.808 bonds (distance) P-C4' energy: -97.106 flat angles C4'-P-C4' energy: -108.311 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -126.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1409.002934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.002934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.002934 (E_RNA) where: Base-Base interactions energy: -981.803 where: short stacking energy: -418.136 Base-Backbone interact. energy: 1.474 local terms energy: -428.674256 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -94.404 flat angles C4'-P-C4' energy: -85.422 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -109.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1190.828670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.828670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.828670 (E_RNA) where: Base-Base interactions energy: -805.126 where: short stacking energy: -355.114 Base-Backbone interact. energy: -1.855 local terms energy: -383.847283 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -84.225 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -59.783 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: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1103.097873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.097873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.097873 (E_RNA) where: Base-Base interactions energy: -733.126 where: short stacking energy: -321.307 Base-Backbone interact. energy: -1.043 local terms energy: -368.928418 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -80.547 flat angles C4'-P-C4' energy: -81.596 flat angles P-C4'-P energy: -57.722 tors. eta vs tors. theta energy: -78.481 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: 423 Temperature: 1.300000 Total energy: -952.879351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.879351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.879351 (E_RNA) where: Base-Base interactions energy: -590.565 where: short stacking energy: -272.961 Base-Backbone interact. energy: -2.258 local terms energy: -360.056591 where: bonds (distance) C4'-P energy: -70.142 bonds (distance) P-C4' energy: -90.390 flat angles C4'-P-C4' energy: -75.965 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -72.256 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: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -534.140779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.140779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.140779 (E_RNA) where: Base-Base interactions energy: -286.599 where: short stacking energy: -158.234 Base-Backbone interact. energy: 0.294 local terms energy: -247.835928 where: bonds (distance) C4'-P energy: -65.523 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -60.759 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: 4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1822.002519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.002519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.002519 (E_RNA) where: Base-Base interactions energy: -1309.654 where: short stacking energy: -525.223 Base-Backbone interact. energy: -1.705 local terms energy: -510.644027 where: bonds (distance) C4'-P energy: -87.030 bonds (distance) P-C4' energy: -95.975 flat angles C4'-P-C4' energy: -105.071 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -147.814 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: 424 Temperature: 0.950000 Total energy: -1741.673614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.673614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.673614 (E_RNA) where: Base-Base interactions energy: -1218.264 where: short stacking energy: -529.409 Base-Backbone interact. energy: -1.754 local terms energy: -521.656158 where: bonds (distance) C4'-P energy: -96.068 bonds (distance) P-C4' energy: -91.138 flat angles C4'-P-C4' energy: -105.657 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -157.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1648.825740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.825740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.825740 (E_RNA) where: Base-Base interactions energy: -1158.889 where: short stacking energy: -457.388 Base-Backbone interact. energy: -2.425 local terms energy: -487.511761 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -105.424 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: -123.351 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: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1594.732639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.732639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.732639 (E_RNA) where: Base-Base interactions energy: -1117.454 where: short stacking energy: -483.235 Base-Backbone interact. energy: -1.221 local terms energy: -476.058019 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -102.876 flat angles C4'-P-C4' energy: -106.569 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -139.285 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: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1520.369848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.369848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.369848 (E_RNA) where: Base-Base interactions energy: -1018.878 where: short stacking energy: -442.051 Base-Backbone interact. energy: -1.499 local terms energy: -499.992545 where: bonds (distance) C4'-P energy: -99.275 bonds (distance) P-C4' energy: -85.539 flat angles C4'-P-C4' energy: -113.108 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -141.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1408.706430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.706430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.706430 (E_RNA) where: Base-Base interactions energy: -992.849 where: short stacking energy: -393.320 Base-Backbone interact. energy: -3.276 local terms energy: -412.581431 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -91.348 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -105.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1251.677614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.677614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.677614 (E_RNA) where: Base-Base interactions energy: -897.954 where: short stacking energy: -333.847 Base-Backbone interact. energy: -2.411 local terms energy: -351.312440 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -59.780 flat angles C4'-P-C4' energy: -84.533 flat angles P-C4'-P energy: -53.864 tors. eta vs tors. theta energy: -74.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1203.456920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.456920 (E_RNA) where: Base-Base interactions energy: -809.799 where: short stacking energy: -367.137 Base-Backbone interact. energy: -1.031 local terms energy: -392.626978 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -92.706 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -86.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -871.049981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.049981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.049981 (E_RNA) where: Base-Base interactions energy: -534.916 where: short stacking energy: -239.124 Base-Backbone interact. energy: -0.994 local terms energy: -335.139452 where: bonds (distance) C4'-P energy: -74.196 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -87.630 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -40.244 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: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -662.420692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.420692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.420692 (E_RNA) where: Base-Base interactions energy: -379.540 where: short stacking energy: -172.761 Base-Backbone interact. energy: -3.033 local terms energy: -279.847624 where: bonds (distance) C4'-P energy: -70.629 bonds (distance) P-C4' energy: -77.080 flat angles C4'-P-C4' energy: -74.937 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: 1.192 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1824.464588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.464588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.464588 (E_RNA) where: Base-Base interactions energy: -1312.806 where: short stacking energy: -535.300 Base-Backbone interact. energy: -3.549 local terms energy: -508.109493 where: bonds (distance) C4'-P energy: -101.203 bonds (distance) P-C4' energy: -85.276 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -146.337 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1766.682555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.682555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.682555 (E_RNA) where: Base-Base interactions energy: -1234.701 where: short stacking energy: -524.088 Base-Backbone interact. energy: -0.113 local terms energy: -531.868733 where: bonds (distance) C4'-P energy: -101.116 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -111.483 flat angles P-C4'-P energy: -74.411 tors. eta vs tors. theta energy: -157.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1681.420622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.420622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.420622 (E_RNA) where: Base-Base interactions energy: -1198.583 where: short stacking energy: -466.214 Base-Backbone interact. energy: -3.068 local terms energy: -479.769199 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -108.703 flat angles C4'-P-C4' energy: -100.977 flat angles P-C4'-P energy: -54.645 tors. eta vs tors. theta energy: -128.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1557.802727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.802727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.802727 (E_RNA) where: Base-Base interactions energy: -1062.999 where: short stacking energy: -460.540 Base-Backbone interact. energy: -3.810 local terms energy: -490.993758 where: bonds (distance) C4'-P energy: -85.959 bonds (distance) P-C4' energy: -103.502 flat angles C4'-P-C4' energy: -104.951 flat angles P-C4'-P energy: -62.264 tors. eta vs tors. theta energy: -134.318 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: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1496.869618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.869618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.869618 (E_RNA) where: Base-Base interactions energy: -1025.210 where: short stacking energy: -470.567 Base-Backbone interact. energy: 3.165 local terms energy: -474.824879 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -101.678 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: -136.793 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: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1401.427639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.427639 (E_RNA) where: Base-Base interactions energy: -957.637 where: short stacking energy: -395.945 Base-Backbone interact. energy: 0.469 local terms energy: -444.260506 where: bonds (distance) C4'-P energy: -89.897 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -88.957 flat angles P-C4'-P energy: -51.780 tors. eta vs tors. theta energy: -112.069 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: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1335.655541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.655541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.655541 (E_RNA) where: Base-Base interactions energy: -923.161 where: short stacking energy: -378.056 Base-Backbone interact. energy: -0.518 local terms energy: -411.977377 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -91.659 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -96.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1186.886890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.886890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.886890 (E_RNA) where: Base-Base interactions energy: -793.923 where: short stacking energy: -354.134 Base-Backbone interact. energy: -1.314 local terms energy: -391.649570 where: bonds (distance) C4'-P energy: -82.706 bonds (distance) P-C4' energy: -83.181 flat angles C4'-P-C4' energy: -81.220 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -82.056 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: 425 Temperature: 1.300000 Total energy: -890.941478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.941478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.941478 (E_RNA) where: Base-Base interactions energy: -588.523 where: short stacking energy: -274.758 Base-Backbone interact. energy: -1.697 local terms energy: -300.721973 where: bonds (distance) C4'-P energy: -60.798 bonds (distance) P-C4' energy: -77.658 flat angles C4'-P-C4' energy: -81.418 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -42.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -738.174721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.174721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.174721 (E_RNA) where: Base-Base interactions energy: -439.986 where: short stacking energy: -234.468 Base-Backbone interact. energy: 1.620 local terms energy: -299.808697 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -90.459 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -53.915 tors. eta vs tors. theta energy: -26.215 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: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1832.425948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.425948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.425948 (E_RNA) where: Base-Base interactions energy: -1314.847 where: short stacking energy: -544.729 Base-Backbone interact. energy: -1.961 local terms energy: -515.618304 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -97.757 flat angles C4'-P-C4' energy: -114.154 flat angles P-C4'-P energy: -69.707 tors. eta vs tors. theta energy: -147.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1742.401509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.401509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.401509 (E_RNA) where: Base-Base interactions energy: -1213.956 where: short stacking energy: -530.440 Base-Backbone interact. energy: 1.534 local terms energy: -529.978622 where: bonds (distance) C4'-P energy: -89.227 bonds (distance) P-C4' energy: -99.533 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -160.009 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: 426 Temperature: 1.000000 Total energy: -1683.988396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.988396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.988396 (E_RNA) where: Base-Base interactions energy: -1176.517 where: short stacking energy: -487.887 Base-Backbone interact. energy: -2.925 local terms energy: -504.546148 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -96.401 flat angles C4'-P-C4' energy: -100.474 flat angles P-C4'-P energy: -76.870 tors. eta vs tors. theta energy: -126.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1577.443698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.443698 (E_RNA) where: Base-Base interactions energy: -1085.216 where: short stacking energy: -490.444 Base-Backbone interact. energy: -0.382 local terms energy: -491.846071 where: bonds (distance) C4'-P energy: -95.563 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -141.368 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: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1566.343462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.343462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.343462 (E_RNA) where: Base-Base interactions energy: -1075.227 where: short stacking energy: -482.189 Base-Backbone interact. energy: -1.272 local terms energy: -489.844110 where: bonds (distance) C4'-P energy: -79.460 bonds (distance) P-C4' energy: -88.999 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -138.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1392.800562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.800562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.800562 (E_RNA) where: Base-Base interactions energy: -955.637 where: short stacking energy: -407.223 Base-Backbone interact. energy: -2.456 local terms energy: -434.706758 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -83.826 flat angles C4'-P-C4' energy: -93.828 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -107.095 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1291.310666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.310666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.310666 (E_RNA) where: Base-Base interactions energy: -866.931 where: short stacking energy: -392.036 Base-Backbone interact. energy: -0.098 local terms energy: -424.281315 where: bonds (distance) C4'-P energy: -85.941 bonds (distance) P-C4' energy: -83.994 flat angles C4'-P-C4' energy: -92.852 flat angles P-C4'-P energy: -55.461 tors. eta vs tors. theta energy: -106.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1214.942492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.942492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.942492 (E_RNA) where: Base-Base interactions energy: -835.922 where: short stacking energy: -339.574 Base-Backbone interact. energy: 0.607 local terms energy: -379.627320 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -79.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -894.969047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.969047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.969047 (E_RNA) where: Base-Base interactions energy: -530.267 where: short stacking energy: -235.184 Base-Backbone interact. energy: -1.898 local terms energy: -362.803600 where: bonds (distance) C4'-P energy: -81.125 bonds (distance) P-C4' energy: -101.792 flat angles C4'-P-C4' energy: -77.492 flat angles P-C4'-P energy: -54.952 tors. eta vs tors. theta energy: -47.442 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: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -777.478203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.478203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.478203 (E_RNA) where: Base-Base interactions energy: -446.308 where: short stacking energy: -208.856 Base-Backbone interact. energy: 1.151 local terms energy: -332.321059 where: bonds (distance) C4'-P energy: -82.087 bonds (distance) P-C4' energy: -90.588 flat angles C4'-P-C4' energy: -82.002 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -34.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1843.633537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.633537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.633537 (E_RNA) where: Base-Base interactions energy: -1316.419 where: short stacking energy: -530.827 Base-Backbone interact. energy: 2.410 local terms energy: -529.625231 where: bonds (distance) C4'-P energy: -99.793 bonds (distance) P-C4' energy: -94.931 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -72.132 tors. eta vs tors. theta energy: -148.060 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: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1766.815755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.815755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.815755 (E_RNA) where: Base-Base interactions energy: -1210.058 where: short stacking energy: -525.829 Base-Backbone interact. energy: -0.837 local terms energy: -555.920241 where: bonds (distance) C4'-P energy: -98.056 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -114.450 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -168.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1673.449367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.449367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.449367 (E_RNA) where: Base-Base interactions energy: -1198.577 where: short stacking energy: -484.407 Base-Backbone interact. energy: -1.122 local terms energy: -473.749768 where: bonds (distance) C4'-P energy: -87.745 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -129.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1665.954143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.954143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.954143 (E_RNA) where: Base-Base interactions energy: -1154.247 where: short stacking energy: -473.377 Base-Backbone interact. energy: -0.761 local terms energy: -510.946000 where: bonds (distance) C4'-P energy: -97.102 bonds (distance) P-C4' energy: -98.286 flat angles C4'-P-C4' energy: -105.583 flat angles P-C4'-P energy: -67.108 tors. eta vs tors. theta energy: -142.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1581.377424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.377424 (E_RNA) where: Base-Base interactions energy: -1086.935 where: short stacking energy: -478.156 Base-Backbone interact. energy: -3.230 local terms energy: -491.212394 where: bonds (distance) C4'-P energy: -85.936 bonds (distance) P-C4' energy: -93.147 flat angles C4'-P-C4' energy: -102.469 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -150.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1377.165484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.165484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.165484 (E_RNA) where: Base-Base interactions energy: -953.434 where: short stacking energy: -400.554 Base-Backbone interact. energy: -0.482 local terms energy: -423.249370 where: bonds (distance) C4'-P energy: -86.366 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -97.847 flat angles P-C4'-P energy: -62.685 tors. eta vs tors. theta energy: -85.249 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: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1267.362653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.362653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.362653 (E_RNA) where: Base-Base interactions energy: -848.570 where: short stacking energy: -390.870 Base-Backbone interact. energy: 1.789 local terms energy: -420.581407 where: bonds (distance) C4'-P energy: -96.738 bonds (distance) P-C4' energy: -82.378 flat angles C4'-P-C4' energy: -81.008 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -93.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1225.224455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.224455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.224455 (E_RNA) where: Base-Base interactions energy: -848.835 where: short stacking energy: -348.311 Base-Backbone interact. energy: -1.478 local terms energy: -374.911698 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -83.491 flat angles C4'-P-C4' energy: -90.612 flat angles P-C4'-P energy: -60.573 tors. eta vs tors. theta energy: -78.163 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: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -940.384672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.384672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.384672 (E_RNA) where: Base-Base interactions energy: -600.885 where: short stacking energy: -276.565 Base-Backbone interact. energy: 1.806 local terms energy: -341.304939 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -80.400 flat angles C4'-P-C4' energy: -81.137 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: -60.729 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: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -757.820787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.820787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.820787 (E_RNA) where: Base-Base interactions energy: -457.318 where: short stacking energy: -219.146 Base-Backbone interact. energy: -0.758 local terms energy: -299.744843 where: bonds (distance) C4'-P energy: -70.219 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -18.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1832.429912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.429912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.429912 (E_RNA) where: Base-Base interactions energy: -1301.901 where: short stacking energy: -546.670 Base-Backbone interact. energy: -3.973 local terms energy: -526.555088 where: bonds (distance) C4'-P energy: -100.773 bonds (distance) P-C4' energy: -103.652 flat angles C4'-P-C4' energy: -105.405 flat angles P-C4'-P energy: -68.552 tors. eta vs tors. theta energy: -148.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1779.717596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.717596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.717596 (E_RNA) where: Base-Base interactions energy: -1246.897 where: short stacking energy: -536.288 Base-Backbone interact. energy: -0.609 local terms energy: -532.210893 where: bonds (distance) C4'-P energy: -90.473 bonds (distance) P-C4' energy: -90.366 flat angles C4'-P-C4' energy: -121.921 flat angles P-C4'-P energy: -73.845 tors. eta vs tors. theta energy: -155.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1670.638093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.638093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.638093 (E_RNA) where: Base-Base interactions energy: -1151.775 where: short stacking energy: -519.327 Base-Backbone interact. energy: -2.619 local terms energy: -516.244330 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -101.190 flat angles C4'-P-C4' energy: -109.782 flat angles P-C4'-P energy: -64.142 tors. eta vs tors. theta energy: -142.838 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1616.571959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.571959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.571959 (E_RNA) where: Base-Base interactions energy: -1135.137 where: short stacking energy: -436.822 Base-Backbone interact. energy: -3.385 local terms energy: -478.050240 where: bonds (distance) C4'-P energy: -93.255 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -111.660 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -117.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1561.770541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.770541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.770541 (E_RNA) where: Base-Base interactions energy: -1056.545 where: short stacking energy: -484.889 Base-Backbone interact. energy: -4.290 local terms energy: -500.935723 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -85.017 flat angles C4'-P-C4' energy: -104.459 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -146.776 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: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1381.086947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.086947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.086947 (E_RNA) where: Base-Base interactions energy: -985.972 where: short stacking energy: -397.332 Base-Backbone interact. energy: -1.444 local terms energy: -393.671486 where: bonds (distance) C4'-P energy: -65.919 bonds (distance) P-C4' energy: -85.325 flat angles C4'-P-C4' energy: -83.074 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -96.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1305.752372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.752372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.752372 (E_RNA) where: Base-Base interactions energy: -874.115 where: short stacking energy: -361.322 Base-Backbone interact. energy: -2.687 local terms energy: -428.950210 where: bonds (distance) C4'-P energy: -80.874 bonds (distance) P-C4' energy: -92.533 flat angles C4'-P-C4' energy: -107.988 flat angles P-C4'-P energy: -61.108 tors. eta vs tors. theta energy: -86.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1200.109861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.109861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.109861 (E_RNA) where: Base-Base interactions energy: -844.330 where: short stacking energy: -354.289 Base-Backbone interact. energy: 0.270 local terms energy: -356.050342 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -36.535 tors. eta vs tors. theta energy: -85.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -894.813252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.813252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.813252 (E_RNA) where: Base-Base interactions energy: -582.536 where: short stacking energy: -257.060 Base-Backbone interact. energy: -1.403 local terms energy: -310.874037 where: bonds (distance) C4'-P energy: -71.451 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -81.163 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -36.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -761.990841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.990841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.990841 (E_RNA) where: Base-Base interactions energy: -463.593 where: short stacking energy: -198.833 Base-Backbone interact. energy: 8.407 local terms energy: -306.805166 where: bonds (distance) C4'-P energy: -72.845 bonds (distance) P-C4' energy: -82.677 flat angles C4'-P-C4' energy: -76.347 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -30.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1834.456373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.456373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.456373 (E_RNA) where: Base-Base interactions energy: -1281.703 where: short stacking energy: -537.496 Base-Backbone interact. energy: -0.404 local terms energy: -552.348752 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -104.549 flat angles C4'-P-C4' energy: -122.257 flat angles P-C4'-P energy: -79.239 tors. eta vs tors. theta energy: -151.866 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: 429 Temperature: 0.950000 Total energy: -1765.469547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.469547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.469547 (E_RNA) where: Base-Base interactions energy: -1222.182 where: short stacking energy: -544.806 Base-Backbone interact. energy: -0.534 local terms energy: -542.753409 where: bonds (distance) C4'-P energy: -89.621 bonds (distance) P-C4' energy: -102.384 flat angles C4'-P-C4' energy: -113.055 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -166.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1685.271769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.271769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.271769 (E_RNA) where: Base-Base interactions energy: -1149.948 where: short stacking energy: -488.044 Base-Backbone interact. energy: -1.587 local terms energy: -533.736722 where: bonds (distance) C4'-P energy: -111.499 bonds (distance) P-C4' energy: -100.112 flat angles C4'-P-C4' energy: -106.429 flat angles P-C4'-P energy: -65.648 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: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1646.202981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.202981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.202981 (E_RNA) where: Base-Base interactions energy: -1133.159 where: short stacking energy: -472.527 Base-Backbone interact. energy: -3.050 local terms energy: -509.993358 where: bonds (distance) C4'-P energy: -76.977 bonds (distance) P-C4' energy: -104.506 flat angles C4'-P-C4' energy: -113.716 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -142.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1561.349396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.349396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.349396 (E_RNA) where: Base-Base interactions energy: -1087.882 where: short stacking energy: -465.849 Base-Backbone interact. energy: 3.160 local terms energy: -476.627955 where: bonds (distance) C4'-P energy: -92.958 bonds (distance) P-C4' energy: -90.415 flat angles C4'-P-C4' energy: -96.005 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -132.542 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: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1394.700862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.700862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.700862 (E_RNA) where: Base-Base interactions energy: -957.243 where: short stacking energy: -394.102 Base-Backbone interact. energy: -2.362 local terms energy: -435.096087 where: bonds (distance) C4'-P energy: -97.168 bonds (distance) P-C4' energy: -82.932 flat angles C4'-P-C4' energy: -87.832 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: -107.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1278.567900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.567900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.567900 (E_RNA) where: Base-Base interactions energy: -860.477 where: short stacking energy: -397.801 Base-Backbone interact. energy: 0.087 local terms energy: -418.177254 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -81.683 flat angles C4'-P-C4' energy: -91.863 flat angles P-C4'-P energy: -65.931 tors. eta vs tors. theta energy: -93.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1158.459225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.459225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.459225 (E_RNA) where: Base-Base interactions energy: -787.665 where: short stacking energy: -331.490 Base-Backbone interact. energy: -2.216 local terms energy: -368.578662 where: bonds (distance) C4'-P energy: -77.454 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -84.340 flat angles P-C4'-P energy: -58.598 tors. eta vs tors. theta energy: -75.709 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -871.851849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.851849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.851849 (E_RNA) where: Base-Base interactions energy: -537.229 where: short stacking energy: -260.352 Base-Backbone interact. energy: 3.744 local terms energy: -338.366856 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -81.685 flat angles C4'-P-C4' energy: -77.013 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: -45.429 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: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -826.535658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.535658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.535658 (E_RNA) where: Base-Base interactions energy: -535.948 where: short stacking energy: -272.850 Base-Backbone interact. energy: 5.112 local terms energy: -295.699088 where: bonds (distance) C4'-P energy: -61.653 bonds (distance) P-C4' energy: -80.851 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -37.729 tors. eta vs tors. theta energy: -38.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1842.102360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.102360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.102360 (E_RNA) where: Base-Base interactions energy: -1280.857 where: short stacking energy: -531.088 Base-Backbone interact. energy: -2.399 local terms energy: -558.846066 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -103.384 flat angles C4'-P-C4' energy: -118.986 flat angles P-C4'-P energy: -87.083 tors. eta vs tors. theta energy: -146.103 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: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1771.706932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.706932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.706932 (E_RNA) where: Base-Base interactions energy: -1239.798 where: short stacking energy: -551.611 Base-Backbone interact. energy: -1.429 local terms energy: -530.479598 where: bonds (distance) C4'-P energy: -95.189 bonds (distance) P-C4' energy: -94.299 flat angles C4'-P-C4' energy: -113.266 flat angles P-C4'-P energy: -69.758 tors. eta vs tors. theta energy: -157.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1656.603981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.603981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.603981 (E_RNA) where: Base-Base interactions energy: -1131.027 where: short stacking energy: -509.480 Base-Backbone interact. energy: -1.160 local terms energy: -524.417590 where: bonds (distance) C4'-P energy: -95.714 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -113.590 flat angles P-C4'-P energy: -75.356 tors. eta vs tors. theta energy: -150.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1643.999770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.999770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.999770 (E_RNA) where: Base-Base interactions energy: -1154.415 where: short stacking energy: -463.606 Base-Backbone interact. energy: -1.330 local terms energy: -488.254199 where: bonds (distance) C4'-P energy: -94.899 bonds (distance) P-C4' energy: -95.872 flat angles C4'-P-C4' energy: -100.463 flat angles P-C4'-P energy: -63.239 tors. eta vs tors. theta energy: -133.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1581.211080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.211080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.211080 (E_RNA) where: Base-Base interactions energy: -1066.640 where: short stacking energy: -473.877 Base-Backbone interact. energy: -1.015 local terms energy: -513.555768 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -101.007 flat angles C4'-P-C4' energy: -99.368 flat angles P-C4'-P energy: -75.526 tors. eta vs tors. theta energy: -146.292 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: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1426.188396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.188396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.188396 (E_RNA) where: Base-Base interactions energy: -1004.982 where: short stacking energy: -426.029 Base-Backbone interact. energy: -0.640 local terms energy: -420.566515 where: bonds (distance) C4'-P energy: -79.055 bonds (distance) P-C4' energy: -86.089 flat angles C4'-P-C4' energy: -96.449 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: -107.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1274.160797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.160797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.160797 (E_RNA) where: Base-Base interactions energy: -879.197 where: short stacking energy: -380.272 Base-Backbone interact. energy: -2.501 local terms energy: -392.463125 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -89.038 flat angles C4'-P-C4' energy: -80.641 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -98.078 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: 430 Temperature: 1.250000 Total energy: -1252.211355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.211355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.211355 (E_RNA) where: Base-Base interactions energy: -860.997 where: short stacking energy: -380.377 Base-Backbone interact. energy: -1.876 local terms energy: -389.337685 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -100.430 flat angles P-C4'-P energy: -47.705 tors. eta vs tors. theta energy: -89.943 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: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -925.976367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.976367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.976367 (E_RNA) where: Base-Base interactions energy: -596.402 where: short stacking energy: -288.463 Base-Backbone interact. energy: -0.918 local terms energy: -328.656255 where: bonds (distance) C4'-P energy: -79.459 bonds (distance) P-C4' energy: -72.681 flat angles C4'-P-C4' energy: -79.703 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -41.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -796.286088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.286088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.286088 (E_RNA) where: Base-Base interactions energy: -489.007 where: short stacking energy: -234.039 Base-Backbone interact. energy: -1.344 local terms energy: -305.935127 where: bonds (distance) C4'-P energy: -75.166 bonds (distance) P-C4' energy: -81.307 flat angles C4'-P-C4' energy: -68.444 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -38.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1851.182225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.182225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.182225 (E_RNA) where: Base-Base interactions energy: -1316.206 where: short stacking energy: -528.978 Base-Backbone interact. energy: -0.520 local terms energy: -534.455725 where: bonds (distance) C4'-P energy: -101.184 bonds (distance) P-C4' energy: -94.095 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -71.259 tors. eta vs tors. theta energy: -151.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1743.436295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.436295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.436295 (E_RNA) where: Base-Base interactions energy: -1202.878 where: short stacking energy: -527.165 Base-Backbone interact. energy: -1.702 local terms energy: -538.856408 where: bonds (distance) C4'-P energy: -102.789 bonds (distance) P-C4' energy: -93.190 flat angles C4'-P-C4' energy: -108.394 flat angles P-C4'-P energy: -74.855 tors. eta vs tors. theta energy: -159.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1674.799787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.799787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.799787 (E_RNA) where: Base-Base interactions energy: -1166.879 where: short stacking energy: -514.235 Base-Backbone interact. energy: -2.533 local terms energy: -505.388513 where: bonds (distance) C4'-P energy: -62.470 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -154.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1640.904052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.904052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.904052 (E_RNA) where: Base-Base interactions energy: -1167.518 where: short stacking energy: -473.367 Base-Backbone interact. energy: -1.410 local terms energy: -471.975963 where: bonds (distance) C4'-P energy: -90.392 bonds (distance) P-C4' energy: -85.846 flat angles C4'-P-C4' energy: -101.845 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -132.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1541.702430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.702430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.702430 (E_RNA) where: Base-Base interactions energy: -1064.958 where: short stacking energy: -452.994 Base-Backbone interact. energy: -2.734 local terms energy: -474.010157 where: bonds (distance) C4'-P energy: -95.479 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -84.349 flat angles P-C4'-P energy: -66.564 tors. eta vs tors. theta energy: -130.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1409.967557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.967557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.967557 (E_RNA) where: Base-Base interactions energy: -987.147 where: short stacking energy: -419.642 Base-Backbone interact. energy: 2.206 local terms energy: -425.026138 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -87.289 flat angles C4'-P-C4' energy: -103.074 flat angles P-C4'-P energy: -53.499 tors. eta vs tors. theta energy: -105.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1325.075141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.075141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.075141 (E_RNA) where: Base-Base interactions energy: -911.153 where: short stacking energy: -382.176 Base-Backbone interact. energy: -2.694 local terms energy: -411.228083 where: bonds (distance) C4'-P energy: -74.569 bonds (distance) P-C4' energy: -87.080 flat angles C4'-P-C4' energy: -87.687 flat angles P-C4'-P energy: -68.931 tors. eta vs tors. theta energy: -92.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1232.613212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.613212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.613212 (E_RNA) where: Base-Base interactions energy: -856.465 where: short stacking energy: -372.620 Base-Backbone interact. energy: -0.722 local terms energy: -375.425993 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -74.690 flat angles C4'-P-C4' energy: -78.765 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -87.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -891.294872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.294872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.294872 (E_RNA) where: Base-Base interactions energy: -551.807 where: short stacking energy: -255.565 Base-Backbone interact. energy: 4.484 local terms energy: -343.972157 where: bonds (distance) C4'-P energy: -85.719 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -82.447 flat angles P-C4'-P energy: -55.775 tors. eta vs tors. theta energy: -41.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -804.626074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.626074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.626074 (E_RNA) where: Base-Base interactions energy: -484.974 where: short stacking energy: -227.984 Base-Backbone interact. energy: -1.999 local terms energy: -317.653205 where: bonds (distance) C4'-P energy: -66.445 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -57.891 tors. eta vs tors. theta energy: -42.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1835.639005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.639005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.639005 (E_RNA) where: Base-Base interactions energy: -1290.407 where: short stacking energy: -525.449 Base-Backbone interact. energy: -3.344 local terms energy: -541.888131 where: bonds (distance) C4'-P energy: -100.976 bonds (distance) P-C4' energy: -99.528 flat angles C4'-P-C4' energy: -118.950 flat angles P-C4'-P energy: -74.993 tors. eta vs tors. theta energy: -147.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1753.742310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.742310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.742310 (E_RNA) where: Base-Base interactions energy: -1227.146 where: short stacking energy: -531.494 Base-Backbone interact. energy: -1.562 local terms energy: -525.034744 where: bonds (distance) C4'-P energy: -89.171 bonds (distance) P-C4' energy: -96.337 flat angles C4'-P-C4' energy: -114.275 flat angles P-C4'-P energy: -68.334 tors. eta vs tors. theta energy: -156.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1671.202965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.202965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.202965 (E_RNA) where: Base-Base interactions energy: -1186.232 where: short stacking energy: -509.722 Base-Backbone interact. energy: -1.675 local terms energy: -483.295996 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -87.092 flat angles C4'-P-C4' energy: -110.713 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -150.629 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: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1626.376416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.376416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.376416 (E_RNA) where: Base-Base interactions energy: -1141.977 where: short stacking energy: -465.747 Base-Backbone interact. energy: -2.042 local terms energy: -482.357238 where: bonds (distance) C4'-P energy: -91.002 bonds (distance) P-C4' energy: -86.580 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -129.021 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: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1546.815099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.815099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.815099 (E_RNA) where: Base-Base interactions energy: -1069.133 where: short stacking energy: -469.101 Base-Backbone interact. energy: 2.257 local terms energy: -479.938704 where: bonds (distance) C4'-P energy: -84.869 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -99.933 flat angles P-C4'-P energy: -66.660 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: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1399.200261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.200261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.200261 (E_RNA) where: Base-Base interactions energy: -970.660 where: short stacking energy: -390.037 Base-Backbone interact. energy: -1.627 local terms energy: -426.912868 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -92.192 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -102.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1265.002147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.002147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.002147 (E_RNA) where: Base-Base interactions energy: -864.683 where: short stacking energy: -372.596 Base-Backbone interact. energy: -2.685 local terms energy: -397.634735 where: bonds (distance) C4'-P energy: -85.577 bonds (distance) P-C4' energy: -78.095 flat angles C4'-P-C4' energy: -83.835 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -92.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1272.544496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.544496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.544496 (E_RNA) where: Base-Base interactions energy: -882.736 where: short stacking energy: -372.991 Base-Backbone interact. energy: -0.003 local terms energy: -389.806138 where: bonds (distance) C4'-P energy: -66.584 bonds (distance) P-C4' energy: -83.630 flat angles C4'-P-C4' energy: -84.891 flat angles P-C4'-P energy: -60.784 tors. eta vs tors. theta energy: -93.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -853.418941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.418941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.418941 (E_RNA) where: Base-Base interactions energy: -513.880 where: short stacking energy: -235.980 Base-Backbone interact. energy: -2.145 local terms energy: -337.393793 where: bonds (distance) C4'-P energy: -80.387 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -30.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -814.395694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.395694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.395694 (E_RNA) where: Base-Base interactions energy: -494.969 where: short stacking energy: -225.555 Base-Backbone interact. energy: -1.597 local terms energy: -317.828825 where: bonds (distance) C4'-P energy: -79.561 bonds (distance) P-C4' energy: -92.687 flat angles C4'-P-C4' energy: -64.535 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -36.556 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: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1840.756848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.756848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.756848 (E_RNA) where: Base-Base interactions energy: -1288.179 where: short stacking energy: -535.234 Base-Backbone interact. energy: -1.846 local terms energy: -550.732278 where: bonds (distance) C4'-P energy: -106.826 bonds (distance) P-C4' energy: -105.911 flat angles C4'-P-C4' energy: -108.867 flat angles P-C4'-P energy: -72.900 tors. eta vs tors. theta energy: -156.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1727.198925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.198925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.198925 (E_RNA) where: Base-Base interactions energy: -1182.557 where: short stacking energy: -501.396 Base-Backbone interact. energy: -1.193 local terms energy: -543.448555 where: bonds (distance) C4'-P energy: -100.479 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -111.374 flat angles P-C4'-P energy: -78.136 tors. eta vs tors. theta energy: -149.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1660.949004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.949004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.949004 (E_RNA) where: Base-Base interactions energy: -1152.284 where: short stacking energy: -491.325 Base-Backbone interact. energy: -2.741 local terms energy: -505.923866 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -100.250 flat angles C4'-P-C4' energy: -115.977 flat angles P-C4'-P energy: -56.581 tors. eta vs tors. theta energy: -141.668 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: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1658.118031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.118031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.118031 (E_RNA) where: Base-Base interactions energy: -1195.827 where: short stacking energy: -472.735 Base-Backbone interact. energy: 1.099 local terms energy: -463.390412 where: bonds (distance) C4'-P energy: -86.786 bonds (distance) P-C4' energy: -85.937 flat angles C4'-P-C4' energy: -102.535 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -126.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1533.818280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.818280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.818280 (E_RNA) where: Base-Base interactions energy: -1061.030 where: short stacking energy: -442.453 Base-Backbone interact. energy: -1.953 local terms energy: -470.835745 where: bonds (distance) C4'-P energy: -79.139 bonds (distance) P-C4' energy: -95.913 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: -137.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1346.698163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.698163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.698163 (E_RNA) where: Base-Base interactions energy: -924.624 where: short stacking energy: -371.321 Base-Backbone interact. energy: -3.537 local terms energy: -418.537319 where: bonds (distance) C4'-P energy: -78.340 bonds (distance) P-C4' energy: -85.885 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -94.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1238.876208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.876208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.876208 (E_RNA) where: Base-Base interactions energy: -834.615 where: short stacking energy: -321.386 Base-Backbone interact. energy: -3.769 local terms energy: -400.492325 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -88.421 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -84.480 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: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1226.242911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.242911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.242911 (E_RNA) where: Base-Base interactions energy: -842.132 where: short stacking energy: -342.803 Base-Backbone interact. energy: -0.345 local terms energy: -383.765890 where: bonds (distance) C4'-P energy: -77.441 bonds (distance) P-C4' energy: -72.931 flat angles C4'-P-C4' energy: -83.485 flat angles P-C4'-P energy: -56.532 tors. eta vs tors. theta energy: -93.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -822.398908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.398908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.398908 (E_RNA) where: Base-Base interactions energy: -508.396 where: short stacking energy: -222.304 Base-Backbone interact. energy: 0.231 local terms energy: -314.233516 where: bonds (distance) C4'-P energy: -72.282 bonds (distance) P-C4' energy: -93.402 flat angles C4'-P-C4' energy: -66.552 flat angles P-C4'-P energy: -56.314 tors. eta vs tors. theta energy: -25.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -834.752737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.752737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.752737 (E_RNA) where: Base-Base interactions energy: -523.698 where: short stacking energy: -223.868 Base-Backbone interact. energy: -0.376 local terms energy: -310.678772 where: bonds (distance) C4'-P energy: -82.994 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -67.959 flat angles P-C4'-P energy: -53.291 tors. eta vs tors. theta energy: -28.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1783.927016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.927016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.927016 (E_RNA) where: Base-Base interactions energy: -1226.397 where: short stacking energy: -523.993 Base-Backbone interact. energy: -2.758 local terms energy: -554.771925 where: bonds (distance) C4'-P energy: -100.350 bonds (distance) P-C4' energy: -107.164 flat angles C4'-P-C4' energy: -116.301 flat angles P-C4'-P energy: -74.875 tors. eta vs tors. theta energy: -156.081 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: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1805.858340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.858340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.858340 (E_RNA) where: Base-Base interactions energy: -1267.464 where: short stacking energy: -511.520 Base-Backbone interact. energy: 0.464 local terms energy: -538.858167 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -91.964 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -81.460 tors. eta vs tors. theta energy: -153.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1667.662711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.662711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.662711 (E_RNA) where: Base-Base interactions energy: -1164.519 where: short stacking energy: -464.637 Base-Backbone interact. energy: 0.353 local terms energy: -503.496059 where: bonds (distance) C4'-P energy: -87.726 bonds (distance) P-C4' energy: -97.218 flat angles C4'-P-C4' energy: -110.984 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -126.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1640.303689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.303689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.303689 (E_RNA) where: Base-Base interactions energy: -1142.305 where: short stacking energy: -509.778 Base-Backbone interact. energy: -2.566 local terms energy: -495.433117 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -82.037 flat angles C4'-P-C4' energy: -105.111 flat angles P-C4'-P energy: -68.753 tors. eta vs tors. theta energy: -153.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1535.486282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.486282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.486282 (E_RNA) where: Base-Base interactions energy: -1059.265 where: short stacking energy: -474.355 Base-Backbone interact. energy: -0.611 local terms energy: -475.610116 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -95.776 flat angles P-C4'-P energy: -73.153 tors. eta vs tors. theta energy: -128.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1392.844451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.844451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.844451 (E_RNA) where: Base-Base interactions energy: -970.560 where: short stacking energy: -389.757 Base-Backbone interact. energy: -3.380 local terms energy: -418.904058 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -106.667 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: 434 Temperature: 1.200000 Total energy: -1273.193833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.193833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.193833 (E_RNA) where: Base-Base interactions energy: -853.107 where: short stacking energy: -360.803 Base-Backbone interact. energy: 0.402 local terms energy: -420.489327 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -89.618 flat angles C4'-P-C4' energy: -94.616 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -93.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1190.852028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.852028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.852028 (E_RNA) where: Base-Base interactions energy: -834.432 where: short stacking energy: -347.128 Base-Backbone interact. energy: -3.868 local terms energy: -352.551988 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -74.575 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -81.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -892.007617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.007617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.007617 (E_RNA) where: Base-Base interactions energy: -555.276 where: short stacking energy: -262.624 Base-Backbone interact. energy: 0.056 local terms energy: -336.787565 where: bonds (distance) C4'-P energy: -75.274 bonds (distance) P-C4' energy: -99.624 flat angles C4'-P-C4' energy: -79.075 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -36.286 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: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -804.293373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.293373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.293373 (E_RNA) where: Base-Base interactions energy: -511.760 where: short stacking energy: -243.169 Base-Backbone interact. energy: 1.009 local terms energy: -293.543116 where: bonds (distance) C4'-P energy: -76.715 bonds (distance) P-C4' energy: -71.163 flat angles C4'-P-C4' energy: -59.264 flat angles P-C4'-P energy: -47.365 tors. eta vs tors. theta energy: -39.036 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: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1764.898192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.898192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.898192 (E_RNA) where: Base-Base interactions energy: -1216.082 where: short stacking energy: -528.222 Base-Backbone interact. energy: -0.834 local terms energy: -547.981940 where: bonds (distance) C4'-P energy: -99.867 bonds (distance) P-C4' energy: -100.107 flat angles C4'-P-C4' energy: -119.328 flat angles P-C4'-P energy: -72.243 tors. eta vs tors. theta energy: -156.437 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: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1790.902474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.902474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.902474 (E_RNA) where: Base-Base interactions energy: -1274.182 where: short stacking energy: -521.769 Base-Backbone interact. energy: -2.264 local terms energy: -514.457036 where: bonds (distance) C4'-P energy: -97.261 bonds (distance) P-C4' energy: -86.923 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -148.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1678.549313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.549313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.549313 (E_RNA) where: Base-Base interactions energy: -1187.403 where: short stacking energy: -489.662 Base-Backbone interact. energy: -3.198 local terms energy: -487.948064 where: bonds (distance) C4'-P energy: -94.962 bonds (distance) P-C4' energy: -94.067 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -131.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1632.131063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.131063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.131063 (E_RNA) where: Base-Base interactions energy: -1125.874 where: short stacking energy: -477.862 Base-Backbone interact. energy: -3.769 local terms energy: -502.487276 where: bonds (distance) C4'-P energy: -74.123 bonds (distance) P-C4' energy: -101.946 flat angles C4'-P-C4' energy: -98.798 flat angles P-C4'-P energy: -80.124 tors. eta vs tors. theta energy: -147.497 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1589.754062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.754062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.754062 (E_RNA) where: Base-Base interactions energy: -1112.956 where: short stacking energy: -490.705 Base-Backbone interact. energy: 3.106 local terms energy: -479.904285 where: bonds (distance) C4'-P energy: -87.752 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -105.934 flat angles P-C4'-P energy: -66.218 tors. eta vs tors. theta energy: -133.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1377.046959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.046959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.046959 (E_RNA) where: Base-Base interactions energy: -954.553 where: short stacking energy: -388.954 Base-Backbone interact. energy: -0.937 local terms energy: -421.557521 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -91.974 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -56.798 tors. eta vs tors. theta energy: -100.853 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: 435 Temperature: 1.200000 Total energy: -1311.606813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.606813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.606813 (E_RNA) where: Base-Base interactions energy: -879.765 where: short stacking energy: -392.157 Base-Backbone interact. energy: -0.432 local terms energy: -431.410141 where: bonds (distance) C4'-P energy: -96.048 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -98.872 flat angles P-C4'-P energy: -55.811 tors. eta vs tors. theta energy: -96.975 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: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1171.494705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.494705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.494705 (E_RNA) where: Base-Base interactions energy: -804.656 where: short stacking energy: -352.506 Base-Backbone interact. energy: 0.654 local terms energy: -367.492596 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -86.382 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -69.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -866.452882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.452882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.452882 (E_RNA) where: Base-Base interactions energy: -548.904 where: short stacking energy: -259.259 Base-Backbone interact. energy: 0.042 local terms energy: -317.591235 where: bonds (distance) C4'-P energy: -87.675 bonds (distance) P-C4' energy: -75.103 flat angles C4'-P-C4' energy: -62.247 flat angles P-C4'-P energy: -51.461 tors. eta vs tors. theta energy: -41.104 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: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -816.018197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.018197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.018197 (E_RNA) where: Base-Base interactions energy: -476.066 where: short stacking energy: -221.601 Base-Backbone interact. energy: 0.328 local terms energy: -340.279673 where: bonds (distance) C4'-P energy: -87.744 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -31.602 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: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1783.766689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.766689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.766689 (E_RNA) where: Base-Base interactions energy: -1232.376 where: short stacking energy: -523.691 Base-Backbone interact. energy: 2.015 local terms energy: -553.405912 where: bonds (distance) C4'-P energy: -101.997 bonds (distance) P-C4' energy: -109.215 flat angles C4'-P-C4' energy: -112.504 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -157.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1785.794012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.794012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.794012 (E_RNA) where: Base-Base interactions energy: -1277.880 where: short stacking energy: -521.520 Base-Backbone interact. energy: -2.153 local terms energy: -505.761536 where: bonds (distance) C4'-P energy: -98.117 bonds (distance) P-C4' energy: -94.429 flat angles C4'-P-C4' energy: -107.057 flat angles P-C4'-P energy: -62.066 tors. eta vs tors. theta energy: -144.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1697.576678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.576678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.576678 (E_RNA) where: Base-Base interactions energy: -1199.462 where: short stacking energy: -484.557 Base-Backbone interact. energy: -2.205 local terms energy: -495.909962 where: bonds (distance) C4'-P energy: -82.636 bonds (distance) P-C4' energy: -101.879 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -74.624 tors. eta vs tors. theta energy: -129.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1621.906605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.906605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.906605 (E_RNA) where: Base-Base interactions energy: -1136.420 where: short stacking energy: -487.421 Base-Backbone interact. energy: -3.367 local terms energy: -482.118784 where: bonds (distance) C4'-P energy: -88.619 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -103.313 flat angles P-C4'-P energy: -64.264 tors. eta vs tors. theta energy: -131.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1536.865765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.865765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.865765 (E_RNA) where: Base-Base interactions energy: -1066.337 where: short stacking energy: -469.109 Base-Backbone interact. energy: -2.219 local terms energy: -468.310009 where: bonds (distance) C4'-P energy: -84.096 bonds (distance) P-C4' energy: -96.250 flat angles C4'-P-C4' energy: -106.799 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -133.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1376.032614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.032614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.032614 (E_RNA) where: Base-Base interactions energy: -949.777 where: short stacking energy: -416.206 Base-Backbone interact. energy: -1.601 local terms energy: -424.655409 where: bonds (distance) C4'-P energy: -70.088 bonds (distance) P-C4' energy: -84.141 flat angles C4'-P-C4' energy: -94.813 flat angles P-C4'-P energy: -65.425 tors. eta vs tors. theta energy: -110.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1320.350298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.350298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.350298 (E_RNA) where: Base-Base interactions energy: -883.240 where: short stacking energy: -396.270 Base-Backbone interact. energy: -3.805 local terms energy: -433.305927 where: bonds (distance) C4'-P energy: -82.763 bonds (distance) P-C4' energy: -90.474 flat angles C4'-P-C4' energy: -100.163 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -100.347 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: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1171.001161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.001161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.001161 (E_RNA) where: Base-Base interactions energy: -775.211 where: short stacking energy: -350.866 Base-Backbone interact. energy: -1.049 local terms energy: -394.741035 where: bonds (distance) C4'-P energy: -80.858 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -90.722 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -75.533 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: 436 Temperature: 1.300000 Total energy: -899.860346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.860346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.860346 (E_RNA) where: Base-Base interactions energy: -583.214 where: short stacking energy: -269.554 Base-Backbone interact. energy: -0.819 local terms energy: -315.827239 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -72.569 flat angles C4'-P-C4' energy: -76.468 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -41.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -827.284397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.284397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.284397 (E_RNA) where: Base-Base interactions energy: -505.471 where: short stacking energy: -228.307 Base-Backbone interact. energy: 0.774 local terms energy: -322.587312 where: bonds (distance) C4'-P energy: -81.857 bonds (distance) P-C4' energy: -88.756 flat angles C4'-P-C4' energy: -78.942 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -26.607 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: 437 Temperature: 0.900000 Total energy: -1777.574719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.574719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.574719 (E_RNA) where: Base-Base interactions energy: -1229.876 where: short stacking energy: -543.328 Base-Backbone interact. energy: 0.407 local terms energy: -548.105507 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -118.723 flat angles P-C4'-P energy: -86.648 tors. eta vs tors. theta energy: -148.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1780.833372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.833372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.833372 (E_RNA) where: Base-Base interactions energy: -1270.466 where: short stacking energy: -524.172 Base-Backbone interact. energy: -2.859 local terms energy: -507.508736 where: bonds (distance) C4'-P energy: -79.628 bonds (distance) P-C4' energy: -93.806 flat angles C4'-P-C4' energy: -113.494 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -151.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1692.216871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.216871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.216871 (E_RNA) where: Base-Base interactions energy: -1189.303 where: short stacking energy: -474.894 Base-Backbone interact. energy: -4.129 local terms energy: -498.784587 where: bonds (distance) C4'-P energy: -101.046 bonds (distance) P-C4' energy: -99.914 flat angles C4'-P-C4' energy: -104.370 flat angles P-C4'-P energy: -59.576 tors. eta vs tors. theta energy: -133.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1601.133369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.133369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.133369 (E_RNA) where: Base-Base interactions energy: -1093.660 where: short stacking energy: -469.045 Base-Backbone interact. energy: -2.249 local terms energy: -505.224520 where: bonds (distance) C4'-P energy: -90.232 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -104.317 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -146.728 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: 437 Temperature: 1.100000 Total energy: -1520.934697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.934697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.934697 (E_RNA) where: Base-Base interactions energy: -1031.764 where: short stacking energy: -473.314 Base-Backbone interact. energy: -1.077 local terms energy: -488.093360 where: bonds (distance) C4'-P energy: -87.831 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -141.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1400.314076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.314076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.314076 (E_RNA) where: Base-Base interactions energy: -974.071 where: short stacking energy: -399.026 Base-Backbone interact. energy: -2.099 local terms energy: -424.143200 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -79.700 flat angles C4'-P-C4' energy: -95.480 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -105.423 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1260.128599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.128599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.128599 (E_RNA) where: Base-Base interactions energy: -836.776 where: short stacking energy: -358.123 Base-Backbone interact. energy: 1.475 local terms energy: -424.827828 where: bonds (distance) C4'-P energy: -75.902 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -95.269 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -93.919 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: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1199.917835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.917835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.917835 (E_RNA) where: Base-Base interactions energy: -820.691 where: short stacking energy: -344.128 Base-Backbone interact. energy: -0.686 local terms energy: -378.541196 where: bonds (distance) C4'-P energy: -63.943 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -85.492 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: -101.134 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: 437 Temperature: 1.300000 Total energy: -869.848357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.848357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.848357 (E_RNA) where: Base-Base interactions energy: -546.205 where: short stacking energy: -262.977 Base-Backbone interact. energy: -4.555 local terms energy: -319.088777 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -87.747 flat angles C4'-P-C4' energy: -71.183 flat angles P-C4'-P energy: -37.434 tors. eta vs tors. theta energy: -40.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -859.567132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.567132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.567132 (E_RNA) where: Base-Base interactions energy: -548.312 where: short stacking energy: -252.558 Base-Backbone interact. energy: -1.020 local terms energy: -310.234335 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -82.148 flat angles C4'-P-C4' energy: -83.878 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -35.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1825.611610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.611610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.611610 (E_RNA) where: Base-Base interactions energy: -1287.872 where: short stacking energy: -516.134 Base-Backbone interact. energy: -0.491 local terms energy: -537.248866 where: bonds (distance) C4'-P energy: -103.793 bonds (distance) P-C4' energy: -98.314 flat angles C4'-P-C4' energy: -111.179 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -148.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1765.154205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.154205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.154205 (E_RNA) where: Base-Base interactions energy: -1238.184 where: short stacking energy: -546.334 Base-Backbone interact. energy: -1.443 local terms energy: -525.526366 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -74.650 flat angles C4'-P-C4' energy: -110.386 flat angles P-C4'-P energy: -89.372 tors. eta vs tors. theta energy: -159.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1692.588040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.588040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.588040 (E_RNA) where: Base-Base interactions energy: -1228.245 where: short stacking energy: -496.213 Base-Backbone interact. energy: 1.636 local terms energy: -465.978809 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -87.389 flat angles C4'-P-C4' energy: -101.624 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -121.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1584.300435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.300435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.300435 (E_RNA) where: Base-Base interactions energy: -1106.214 where: short stacking energy: -469.947 Base-Backbone interact. energy: -1.773 local terms energy: -476.312526 where: bonds (distance) C4'-P energy: -78.943 bonds (distance) P-C4' energy: -88.948 flat angles C4'-P-C4' energy: -108.453 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -129.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1506.244276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.244276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.244276 (E_RNA) where: Base-Base interactions energy: -1027.227 where: short stacking energy: -465.029 Base-Backbone interact. energy: -2.359 local terms energy: -476.657709 where: bonds (distance) C4'-P energy: -84.359 bonds (distance) P-C4' energy: -99.852 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -57.770 tors. eta vs tors. theta energy: -131.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1454.437413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.437413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.437413 (E_RNA) where: Base-Base interactions energy: -1007.289 where: short stacking energy: -416.572 Base-Backbone interact. energy: -3.969 local terms energy: -443.179141 where: bonds (distance) C4'-P energy: -94.631 bonds (distance) P-C4' energy: -83.644 flat angles C4'-P-C4' energy: -91.311 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -120.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1292.756698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.756698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.756698 (E_RNA) where: Base-Base interactions energy: -868.118 where: short stacking energy: -384.344 Base-Backbone interact. energy: -0.291 local terms energy: -424.347545 where: bonds (distance) C4'-P energy: -84.698 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -87.174 flat angles P-C4'-P energy: -66.058 tors. eta vs tors. theta energy: -97.247 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: 438 Temperature: 1.250000 Total energy: -1201.212735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.212735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.212735 (E_RNA) where: Base-Base interactions energy: -806.389 where: short stacking energy: -324.166 Base-Backbone interact. energy: 3.783 local terms energy: -398.606124 where: bonds (distance) C4'-P energy: -73.299 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -68.750 tors. eta vs tors. theta energy: -81.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -915.668522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.668522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.668522 (E_RNA) where: Base-Base interactions energy: -578.997 where: short stacking energy: -267.070 Base-Backbone interact. energy: -2.233 local terms energy: -334.437801 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: -50.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -848.522910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.522910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.522910 (E_RNA) where: Base-Base interactions energy: -500.597 where: short stacking energy: -252.745 Base-Backbone interact. energy: -0.011 local terms energy: -347.914417 where: bonds (distance) C4'-P energy: -88.611 bonds (distance) P-C4' energy: -77.036 flat angles C4'-P-C4' energy: -84.143 flat angles P-C4'-P energy: -38.127 tors. eta vs tors. theta energy: -59.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1812.713610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.713610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.713610 (E_RNA) where: Base-Base interactions energy: -1284.865 where: short stacking energy: -534.287 Base-Backbone interact. energy: -3.378 local terms energy: -524.470253 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -102.210 flat angles C4'-P-C4' energy: -107.622 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -151.805 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: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1758.916871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.916871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.916871 (E_RNA) where: Base-Base interactions energy: -1219.576 where: short stacking energy: -519.953 Base-Backbone interact. energy: 0.201 local terms energy: -539.541901 where: bonds (distance) C4'-P energy: -100.516 bonds (distance) P-C4' energy: -101.185 flat angles C4'-P-C4' energy: -100.399 flat angles P-C4'-P energy: -86.726 tors. eta vs tors. theta energy: -150.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1699.196838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.196838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.196838 (E_RNA) where: Base-Base interactions energy: -1193.647 where: short stacking energy: -475.204 Base-Backbone interact. energy: -2.013 local terms energy: -503.537349 where: bonds (distance) C4'-P energy: -89.301 bonds (distance) P-C4' energy: -104.729 flat angles C4'-P-C4' energy: -107.245 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -126.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1610.622816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.622816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.622816 (E_RNA) where: Base-Base interactions energy: -1120.277 where: short stacking energy: -479.768 Base-Backbone interact. energy: -1.218 local terms energy: -489.127516 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -102.554 flat angles P-C4'-P energy: -71.025 tors. eta vs tors. theta energy: -135.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1531.447246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.447246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.447246 (E_RNA) where: Base-Base interactions energy: -1034.345 where: short stacking energy: -471.285 Base-Backbone interact. energy: -1.121 local terms energy: -495.981046 where: bonds (distance) C4'-P energy: -93.824 bonds (distance) P-C4' energy: -82.799 flat angles C4'-P-C4' energy: -105.032 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: -143.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1439.900210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.900210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.900210 (E_RNA) where: Base-Base interactions energy: -994.009 where: short stacking energy: -411.238 Base-Backbone interact. energy: 5.739 local terms energy: -451.629718 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -97.848 flat angles C4'-P-C4' energy: -101.150 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -107.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1349.012319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.012319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.012319 (E_RNA) where: Base-Base interactions energy: -937.325 where: short stacking energy: -416.665 Base-Backbone interact. energy: -2.364 local terms energy: -409.322504 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -62.196 tors. eta vs tors. theta energy: -110.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1153.356447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.356447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.356447 (E_RNA) where: Base-Base interactions energy: -774.031 where: short stacking energy: -348.310 Base-Backbone interact. energy: -1.910 local terms energy: -377.415370 where: bonds (distance) C4'-P energy: -69.356 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -89.616 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: -84.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -951.449450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.449450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.449450 (E_RNA) where: Base-Base interactions energy: -623.950 where: short stacking energy: -273.081 Base-Backbone interact. energy: 2.719 local terms energy: -330.218622 where: bonds (distance) C4'-P energy: -71.846 bonds (distance) P-C4' energy: -86.048 flat angles C4'-P-C4' energy: -83.539 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -44.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -848.942409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.942409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.942409 (E_RNA) where: Base-Base interactions energy: -535.770 where: short stacking energy: -240.102 Base-Backbone interact. energy: 1.821 local terms energy: -314.993152 where: bonds (distance) C4'-P energy: -74.207 bonds (distance) P-C4' energy: -77.216 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -42.329 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: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1821.893294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.893294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.893294 (E_RNA) where: Base-Base interactions energy: -1284.211 where: short stacking energy: -542.985 Base-Backbone interact. energy: -2.900 local terms energy: -534.781702 where: bonds (distance) C4'-P energy: -97.531 bonds (distance) P-C4' energy: -103.328 flat angles C4'-P-C4' energy: -116.690 flat angles P-C4'-P energy: -66.010 tors. eta vs tors. theta energy: -151.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1747.753894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.753894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.753894 (E_RNA) where: Base-Base interactions energy: -1212.576 where: short stacking energy: -535.882 Base-Backbone interact. energy: -0.588 local terms energy: -534.590214 where: bonds (distance) C4'-P energy: -91.717 bonds (distance) P-C4' energy: -99.994 flat angles C4'-P-C4' energy: -108.409 flat angles P-C4'-P energy: -73.067 tors. eta vs tors. theta energy: -161.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1674.871986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.871986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.871986 (E_RNA) where: Base-Base interactions energy: -1201.095 where: short stacking energy: -484.620 Base-Backbone interact. energy: -3.382 local terms energy: -470.394985 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -101.747 flat angles P-C4'-P energy: -77.230 tors. eta vs tors. theta energy: -124.051 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: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1566.272448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.272448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.272448 (E_RNA) where: Base-Base interactions energy: -1080.453 where: short stacking energy: -460.317 Base-Backbone interact. energy: -1.869 local terms energy: -483.950605 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -65.598 tors. eta vs tors. theta energy: -138.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1602.542856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.542856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.542856 (E_RNA) where: Base-Base interactions energy: -1123.753 where: short stacking energy: -494.482 Base-Backbone interact. energy: -0.270 local terms energy: -478.519954 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -65.953 tors. eta vs tors. theta energy: -149.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1421.227892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.227892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.227892 (E_RNA) where: Base-Base interactions energy: -980.933 where: short stacking energy: -402.800 Base-Backbone interact. energy: -2.845 local terms energy: -437.450356 where: bonds (distance) C4'-P energy: -81.446 bonds (distance) P-C4' energy: -93.183 flat angles C4'-P-C4' energy: -99.021 flat angles P-C4'-P energy: -57.304 tors. eta vs tors. theta energy: -106.496 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: 440 Temperature: 1.200000 Total energy: -1296.976972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.976972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.976972 (E_RNA) where: Base-Base interactions energy: -885.164 where: short stacking energy: -387.387 Base-Backbone interact. energy: -1.860 local terms energy: -409.953509 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -82.866 flat angles C4'-P-C4' energy: -90.891 flat angles P-C4'-P energy: -67.511 tors. eta vs tors. theta energy: -88.733 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: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1140.371782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.371782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.371782 (E_RNA) where: Base-Base interactions energy: -740.597 where: short stacking energy: -313.023 Base-Backbone interact. energy: -1.924 local terms energy: -397.850050 where: bonds (distance) C4'-P energy: -88.689 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -94.783 flat angles P-C4'-P energy: -60.580 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: 440 Temperature: 1.300000 Total energy: -904.723581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.723581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.723581 (E_RNA) where: Base-Base interactions energy: -586.041 where: short stacking energy: -277.036 Base-Backbone interact. energy: 1.486 local terms energy: -320.168288 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -77.191 flat angles C4'-P-C4' energy: -84.841 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -39.763 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: 440 Temperature: 1.350000 Total energy: -857.721113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.721113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.721113 (E_RNA) where: Base-Base interactions energy: -526.426 where: short stacking energy: -243.950 Base-Backbone interact. energy: 0.691 local terms energy: -331.986201 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -84.018 flat angles C4'-P-C4' energy: -81.741 flat angles P-C4'-P energy: -52.479 tors. eta vs tors. theta energy: -34.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1811.654905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.654905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.654905 (E_RNA) where: Base-Base interactions energy: -1296.502 where: short stacking energy: -516.406 Base-Backbone interact. energy: 0.386 local terms energy: -515.539380 where: bonds (distance) C4'-P energy: -87.416 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -109.655 flat angles P-C4'-P energy: -71.218 tors. eta vs tors. theta energy: -145.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1749.735212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.735212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.735212 (E_RNA) where: Base-Base interactions energy: -1240.428 where: short stacking energy: -494.812 Base-Backbone interact. energy: -1.366 local terms energy: -507.941457 where: bonds (distance) C4'-P energy: -96.823 bonds (distance) P-C4' energy: -97.593 flat angles C4'-P-C4' energy: -104.285 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -149.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1671.591165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.591165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.591165 (E_RNA) where: Base-Base interactions energy: -1173.117 where: short stacking energy: -472.884 Base-Backbone interact. energy: -3.411 local terms energy: -495.062947 where: bonds (distance) C4'-P energy: -94.778 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -110.709 flat angles P-C4'-P energy: -69.073 tors. eta vs tors. theta energy: -135.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1602.875644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.875644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.875644 (E_RNA) where: Base-Base interactions energy: -1122.512 where: short stacking energy: -475.898 Base-Backbone interact. energy: -1.707 local terms energy: -478.655924 where: bonds (distance) C4'-P energy: -76.488 bonds (distance) P-C4' energy: -92.192 flat angles C4'-P-C4' energy: -109.831 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -131.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1544.498507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.498507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.498507 (E_RNA) where: Base-Base interactions energy: -1070.296 where: short stacking energy: -479.860 Base-Backbone interact. energy: 0.445 local terms energy: -474.647072 where: bonds (distance) C4'-P energy: -79.140 bonds (distance) P-C4' energy: -102.315 flat angles C4'-P-C4' energy: -97.739 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -133.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1381.981570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.981570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.981570 (E_RNA) where: Base-Base interactions energy: -956.198 where: short stacking energy: -398.765 Base-Backbone interact. energy: -2.044 local terms energy: -423.740122 where: bonds (distance) C4'-P energy: -93.798 bonds (distance) P-C4' energy: -76.369 flat angles C4'-P-C4' energy: -80.264 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: -106.059 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: 441 Temperature: 1.200000 Total energy: -1337.733837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.733837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.733837 (E_RNA) where: Base-Base interactions energy: -928.576 where: short stacking energy: -405.885 Base-Backbone interact. energy: -1.666 local terms energy: -407.491971 where: bonds (distance) C4'-P energy: -73.455 bonds (distance) P-C4' energy: -76.791 flat angles C4'-P-C4' energy: -92.773 flat angles P-C4'-P energy: -60.309 tors. eta vs tors. theta energy: -104.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1124.998075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.998075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.998075 (E_RNA) where: Base-Base interactions energy: -747.953 where: short stacking energy: -312.676 Base-Backbone interact. energy: -0.737 local terms energy: -376.307906 where: bonds (distance) C4'-P energy: -88.625 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -75.961 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -65.603 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: 441 Temperature: 1.300000 Total energy: -814.499831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.499831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.499831 (E_RNA) where: Base-Base interactions energy: -500.584 where: short stacking energy: -217.436 Base-Backbone interact. energy: 0.093 local terms energy: -314.008585 where: bonds (distance) C4'-P energy: -74.910 bonds (distance) P-C4' energy: -75.134 flat angles C4'-P-C4' energy: -78.667 flat angles P-C4'-P energy: -57.345 tors. eta vs tors. theta energy: -27.952 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: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -815.489668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.489668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.489668 (E_RNA) where: Base-Base interactions energy: -513.541 where: short stacking energy: -243.225 Base-Backbone interact. energy: -0.400 local terms energy: -301.548044 where: bonds (distance) C4'-P energy: -73.560 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -79.583 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -37.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1813.537680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.537680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.537680 (E_RNA) where: Base-Base interactions energy: -1289.775 where: short stacking energy: -531.183 Base-Backbone interact. energy: 3.642 local terms energy: -527.404202 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -90.724 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -78.026 tors. eta vs tors. theta energy: -146.682 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: 442 Temperature: 0.950000 Total energy: -1719.456144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.456144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.456144 (E_RNA) where: Base-Base interactions energy: -1173.251 where: short stacking energy: -507.052 Base-Backbone interact. energy: 2.203 local terms energy: -548.407588 where: bonds (distance) C4'-P energy: -99.264 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -117.704 flat angles P-C4'-P energy: -78.315 tors. eta vs tors. theta energy: -153.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1670.394772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.394772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.394772 (E_RNA) where: Base-Base interactions energy: -1190.277 where: short stacking energy: -463.706 Base-Backbone interact. energy: -3.206 local terms energy: -476.911549 where: bonds (distance) C4'-P energy: -92.452 bonds (distance) P-C4' energy: -86.047 flat angles C4'-P-C4' energy: -98.802 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: -130.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1638.833069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.833069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.833069 (E_RNA) where: Base-Base interactions energy: -1142.599 where: short stacking energy: -489.225 Base-Backbone interact. energy: -3.774 local terms energy: -492.459903 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -95.952 flat angles C4'-P-C4' energy: -104.432 flat angles P-C4'-P energy: -66.149 tors. eta vs tors. theta energy: -143.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1522.363343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.363343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.363343 (E_RNA) where: Base-Base interactions energy: -1056.187 where: short stacking energy: -459.487 Base-Backbone interact. energy: -1.172 local terms energy: -465.004667 where: bonds (distance) C4'-P energy: -82.607 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -104.221 flat angles P-C4'-P energy: -61.668 tors. eta vs tors. theta energy: -123.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1415.433199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.433199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.433199 (E_RNA) where: Base-Base interactions energy: -988.226 where: short stacking energy: -416.295 Base-Backbone interact. energy: 1.552 local terms energy: -428.759347 where: bonds (distance) C4'-P energy: -86.147 bonds (distance) P-C4' energy: -91.198 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -108.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1273.564960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.564960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.564960 (E_RNA) where: Base-Base interactions energy: -867.961 where: short stacking energy: -366.724 Base-Backbone interact. energy: -1.974 local terms energy: -403.630009 where: bonds (distance) C4'-P energy: -80.236 bonds (distance) P-C4' energy: -89.963 flat angles C4'-P-C4' energy: -89.173 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: -91.432 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: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1084.018082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.018082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.018082 (E_RNA) where: Base-Base interactions energy: -752.855 where: short stacking energy: -318.035 Base-Backbone interact. energy: 0.014 local terms energy: -331.176846 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -44.081 tors. eta vs tors. theta energy: -64.633 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: 442 Temperature: 1.300000 Total energy: -791.365465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.365465 (E_RNA) where: Base-Base interactions energy: -454.347 where: short stacking energy: -238.650 Base-Backbone interact. energy: 1.924 local terms energy: -338.941993 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -83.933 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -35.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -777.532448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.532448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.532448 (E_RNA) where: Base-Base interactions energy: -459.016 where: short stacking energy: -228.334 Base-Backbone interact. energy: -1.486 local terms energy: -317.031073 where: bonds (distance) C4'-P energy: -72.132 bonds (distance) P-C4' energy: -71.483 flat angles C4'-P-C4' energy: -87.196 flat angles P-C4'-P energy: -39.960 tors. eta vs tors. theta energy: -46.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1820.361503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.361503 (E_RNA) where: Base-Base interactions energy: -1285.075 where: short stacking energy: -541.473 Base-Backbone interact. energy: -2.543 local terms energy: -532.743455 where: bonds (distance) C4'-P energy: -95.430 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -113.311 flat angles P-C4'-P energy: -69.366 tors. eta vs tors. theta energy: -153.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1738.301850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.301850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.301850 (E_RNA) where: Base-Base interactions energy: -1227.689 where: short stacking energy: -538.553 Base-Backbone interact. energy: -0.884 local terms energy: -509.729574 where: bonds (distance) C4'-P energy: -92.026 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -104.439 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -156.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1670.333992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.333992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.333992 (E_RNA) where: Base-Base interactions energy: -1204.746 where: short stacking energy: -487.668 Base-Backbone interact. energy: -1.720 local terms energy: -463.868248 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -100.946 flat angles C4'-P-C4' energy: -103.272 flat angles P-C4'-P energy: -65.580 tors. eta vs tors. theta energy: -119.312 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: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1636.724389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.724389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.724389 (E_RNA) where: Base-Base interactions energy: -1140.955 where: short stacking energy: -493.838 Base-Backbone interact. energy: 1.019 local terms energy: -496.788264 where: bonds (distance) C4'-P energy: -99.547 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -110.191 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -135.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1508.149510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.149510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.149510 (E_RNA) where: Base-Base interactions energy: -1037.560 where: short stacking energy: -446.862 Base-Backbone interact. energy: -2.222 local terms energy: -468.367580 where: bonds (distance) C4'-P energy: -88.286 bonds (distance) P-C4' energy: -85.223 flat angles C4'-P-C4' energy: -112.111 flat angles P-C4'-P energy: -56.800 tors. eta vs tors. theta energy: -125.947 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: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1446.497815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.497815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.497815 (E_RNA) where: Base-Base interactions energy: -1003.652 where: short stacking energy: -410.944 Base-Backbone interact. energy: -1.893 local terms energy: -440.952865 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -86.771 flat angles C4'-P-C4' energy: -83.934 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -120.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1301.929009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.929009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.929009 (E_RNA) where: Base-Base interactions energy: -865.488 where: short stacking energy: -397.259 Base-Backbone interact. energy: -1.886 local terms energy: -434.554988 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -77.600 flat angles C4'-P-C4' energy: -100.611 flat angles P-C4'-P energy: -66.151 tors. eta vs tors. theta energy: -102.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1103.876064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.876064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.876064 (E_RNA) where: Base-Base interactions energy: -744.134 where: short stacking energy: -301.607 Base-Backbone interact. energy: -0.632 local terms energy: -359.109587 where: bonds (distance) C4'-P energy: -62.522 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -96.023 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -61.327 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: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -771.526142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.526142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.526142 (E_RNA) where: Base-Base interactions energy: -464.669 where: short stacking energy: -227.428 Base-Backbone interact. energy: 0.923 local terms energy: -307.779788 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -47.720 tors. eta vs tors. theta energy: -34.294 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: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -781.057801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.057801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.057801 (E_RNA) where: Base-Base interactions energy: -491.663 where: short stacking energy: -248.480 Base-Backbone interact. energy: -3.569 local terms energy: -285.826180 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -75.474 flat angles C4'-P-C4' energy: -93.156 flat angles P-C4'-P energy: -28.390 tors. eta vs tors. theta energy: -24.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1835.298050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.298050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.298050 (E_RNA) where: Base-Base interactions energy: -1294.002 where: short stacking energy: -546.433 Base-Backbone interact. energy: -2.803 local terms energy: -538.493071 where: bonds (distance) C4'-P energy: -102.464 bonds (distance) P-C4' energy: -98.129 flat angles C4'-P-C4' energy: -106.780 flat angles P-C4'-P energy: -75.770 tors. eta vs tors. theta energy: -155.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1733.713659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.713659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.713659 (E_RNA) where: Base-Base interactions energy: -1213.309 where: short stacking energy: -519.318 Base-Backbone interact. energy: -1.426 local terms energy: -518.978827 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -84.504 flat angles C4'-P-C4' energy: -111.877 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -150.367 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: 444 Temperature: 1.000000 Total energy: -1681.960552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.960552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.960552 (E_RNA) where: Base-Base interactions energy: -1178.629 where: short stacking energy: -450.036 Base-Backbone interact. energy: -4.009 local terms energy: -499.323320 where: bonds (distance) C4'-P energy: -92.312 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -122.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1641.175071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.175071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.175071 (E_RNA) where: Base-Base interactions energy: -1147.666 where: short stacking energy: -476.757 Base-Backbone interact. energy: 1.722 local terms energy: -495.231283 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -96.804 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -135.177 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: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1555.709248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.709248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.709248 (E_RNA) where: Base-Base interactions energy: -1073.961 where: short stacking energy: -473.403 Base-Backbone interact. energy: -0.945 local terms energy: -480.803452 where: bonds (distance) C4'-P energy: -86.541 bonds (distance) P-C4' energy: -91.867 flat angles C4'-P-C4' energy: -101.652 flat angles P-C4'-P energy: -64.638 tors. eta vs tors. theta energy: -136.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1478.064014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.064014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.064014 (E_RNA) where: Base-Base interactions energy: -1005.176 where: short stacking energy: -396.216 Base-Backbone interact. energy: 0.273 local terms energy: -473.161347 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -94.601 flat angles C4'-P-C4' energy: -102.607 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -112.410 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1300.944532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.944532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.944532 (E_RNA) where: Base-Base interactions energy: -877.681 where: short stacking energy: -390.214 Base-Backbone interact. energy: -1.585 local terms energy: -421.679150 where: bonds (distance) C4'-P energy: -84.701 bonds (distance) P-C4' energy: -83.649 flat angles C4'-P-C4' energy: -100.956 flat angles P-C4'-P energy: -57.726 tors. eta vs tors. theta energy: -94.648 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: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1031.409353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.409353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.409353 (E_RNA) where: Base-Base interactions energy: -670.418 where: short stacking energy: -298.725 Base-Backbone interact. energy: 1.606 local terms energy: -362.597019 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -96.409 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -39.939 tors. eta vs tors. theta energy: -58.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -800.576078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.576078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.576078 (E_RNA) where: Base-Base interactions energy: -459.062 where: short stacking energy: -227.386 Base-Backbone interact. energy: -0.369 local terms energy: -341.145462 where: bonds (distance) C4'-P energy: -85.328 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -86.706 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -31.795 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: 444 Temperature: 1.350000 Total energy: -791.421724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.421724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.421724 (E_RNA) where: Base-Base interactions energy: -455.901 where: short stacking energy: -222.445 Base-Backbone interact. energy: -0.862 local terms energy: -334.658571 where: bonds (distance) C4'-P energy: -82.032 bonds (distance) P-C4' energy: -93.781 flat angles C4'-P-C4' energy: -81.075 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -31.508 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1820.956743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.956743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.956743 (E_RNA) where: Base-Base interactions energy: -1290.955 where: short stacking energy: -533.077 Base-Backbone interact. energy: -1.359 local terms energy: -528.642324 where: bonds (distance) C4'-P energy: -95.679 bonds (distance) P-C4' energy: -98.696 flat angles C4'-P-C4' energy: -111.585 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -147.674 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: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1758.290211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.290211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.290211 (E_RNA) where: Base-Base interactions energy: -1231.213 where: short stacking energy: -538.849 Base-Backbone interact. energy: -1.016 local terms energy: -526.061310 where: bonds (distance) C4'-P energy: -91.613 bonds (distance) P-C4' energy: -90.485 flat angles C4'-P-C4' energy: -107.345 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -163.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1675.329272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.329272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.329272 (E_RNA) where: Base-Base interactions energy: -1181.154 where: short stacking energy: -480.842 Base-Backbone interact. energy: -3.293 local terms energy: -490.881714 where: bonds (distance) C4'-P energy: -89.066 bonds (distance) P-C4' energy: -107.676 flat angles C4'-P-C4' energy: -106.600 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -124.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1637.422242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.422242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.422242 (E_RNA) where: Base-Base interactions energy: -1140.577 where: short stacking energy: -494.735 Base-Backbone interact. energy: 0.621 local terms energy: -497.465545 where: bonds (distance) C4'-P energy: -89.665 bonds (distance) P-C4' energy: -94.845 flat angles C4'-P-C4' energy: -101.819 flat angles P-C4'-P energy: -58.023 tors. eta vs tors. theta energy: -153.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1550.355570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.355570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.355570 (E_RNA) where: Base-Base interactions energy: -1041.467 where: short stacking energy: -459.201 Base-Backbone interact. energy: -3.560 local terms energy: -505.329084 where: bonds (distance) C4'-P energy: -97.762 bonds (distance) P-C4' energy: -102.066 flat angles C4'-P-C4' energy: -106.682 flat angles P-C4'-P energy: -66.507 tors. eta vs tors. theta energy: -132.312 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1464.110828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.110828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.110828 (E_RNA) where: Base-Base interactions energy: -1025.404 where: short stacking energy: -431.632 Base-Backbone interact. energy: 0.459 local terms energy: -439.165122 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -79.059 flat angles C4'-P-C4' energy: -96.240 flat angles P-C4'-P energy: -69.867 tors. eta vs tors. theta energy: -108.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1266.698361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.698361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.698361 (E_RNA) where: Base-Base interactions energy: -853.544 where: short stacking energy: -378.318 Base-Backbone interact. energy: -0.141 local terms energy: -413.013069 where: bonds (distance) C4'-P energy: -90.799 bonds (distance) P-C4' energy: -79.616 flat angles C4'-P-C4' energy: -92.208 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -87.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1028.934293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.934293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.934293 (E_RNA) where: Base-Base interactions energy: -663.273 where: short stacking energy: -288.814 Base-Backbone interact. energy: -2.391 local terms energy: -363.270096 where: bonds (distance) C4'-P energy: -81.145 bonds (distance) P-C4' energy: -87.704 flat angles C4'-P-C4' energy: -99.115 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -47.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -793.739044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.739044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.739044 (E_RNA) where: Base-Base interactions energy: -486.879 where: short stacking energy: -225.752 Base-Backbone interact. energy: 6.496 local terms energy: -313.355931 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -84.295 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -25.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -757.663497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.663497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.663497 (E_RNA) where: Base-Base interactions energy: -452.085 where: short stacking energy: -236.782 Base-Backbone interact. energy: -0.107 local terms energy: -305.470843 where: bonds (distance) C4'-P energy: -71.658 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -44.027 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: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1814.058209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.058209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.058209 (E_RNA) where: Base-Base interactions energy: -1278.365 where: short stacking energy: -533.870 Base-Backbone interact. energy: -1.062 local terms energy: -534.631016 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -102.019 flat angles C4'-P-C4' energy: -117.427 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: -150.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1766.943068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.943068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.943068 (E_RNA) where: Base-Base interactions energy: -1236.731 where: short stacking energy: -535.689 Base-Backbone interact. energy: -0.464 local terms energy: -529.747201 where: bonds (distance) C4'-P energy: -88.207 bonds (distance) P-C4' energy: -87.541 flat angles C4'-P-C4' energy: -112.268 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -158.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1654.452043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.452043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.452043 (E_RNA) where: Base-Base interactions energy: -1181.409 where: short stacking energy: -474.964 Base-Backbone interact. energy: -2.491 local terms energy: -470.552026 where: bonds (distance) C4'-P energy: -90.215 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -92.941 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -124.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1653.370873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.370873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.370873 (E_RNA) where: Base-Base interactions energy: -1130.300 where: short stacking energy: -479.278 Base-Backbone interact. energy: -5.122 local terms energy: -517.949707 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -74.279 tors. eta vs tors. theta energy: -143.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1528.070630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.070630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.070630 (E_RNA) where: Base-Base interactions energy: -1057.783 where: short stacking energy: -431.719 Base-Backbone interact. energy: -4.263 local terms energy: -466.024596 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -90.804 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -113.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1426.784505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.784505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.784505 (E_RNA) where: Base-Base interactions energy: -981.302 where: short stacking energy: -416.242 Base-Backbone interact. energy: -1.369 local terms energy: -444.113876 where: bonds (distance) C4'-P energy: -94.528 bonds (distance) P-C4' energy: -84.722 flat angles C4'-P-C4' energy: -98.200 flat angles P-C4'-P energy: -58.672 tors. eta vs tors. theta energy: -107.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1252.232813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.232813 (E_RNA) where: Base-Base interactions energy: -821.759 where: short stacking energy: -369.070 Base-Backbone interact. energy: -1.853 local terms energy: -428.620707 where: bonds (distance) C4'-P energy: -84.825 bonds (distance) P-C4' energy: -91.384 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: -96.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -998.965841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.965841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.965841 (E_RNA) where: Base-Base interactions energy: -636.442 where: short stacking energy: -281.039 Base-Backbone interact. energy: -4.062 local terms energy: -358.461375 where: bonds (distance) C4'-P energy: -79.882 bonds (distance) P-C4' energy: -89.969 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -48.584 tors. eta vs tors. theta energy: -50.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -762.741915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.741915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.741915 (E_RNA) where: Base-Base interactions energy: -452.867 where: short stacking energy: -215.541 Base-Backbone interact. energy: -0.808 local terms energy: -309.066413 where: bonds (distance) C4'-P energy: -78.754 bonds (distance) P-C4' energy: -86.115 flat angles C4'-P-C4' energy: -83.779 flat angles P-C4'-P energy: -34.844 tors. eta vs tors. theta energy: -25.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -684.846279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.846279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.846279 (E_RNA) where: Base-Base interactions energy: -418.379 where: short stacking energy: -202.766 Base-Backbone interact. energy: 0.637 local terms energy: -267.104370 where: bonds (distance) C4'-P energy: -73.960 bonds (distance) P-C4' energy: -71.921 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -41.365 tors. eta vs tors. theta energy: -14.329 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: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1813.969091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.969091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.969091 (E_RNA) where: Base-Base interactions energy: -1292.069 where: short stacking energy: -523.214 Base-Backbone interact. energy: -2.662 local terms energy: -519.238561 where: bonds (distance) C4'-P energy: -85.389 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -109.907 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -151.467 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: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1715.106555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.106555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.106555 (E_RNA) where: Base-Base interactions energy: -1216.633 where: short stacking energy: -508.979 Base-Backbone interact. energy: -1.807 local terms energy: -496.666683 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -92.915 flat angles C4'-P-C4' energy: -101.641 flat angles P-C4'-P energy: -72.897 tors. eta vs tors. theta energy: -142.086 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: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1718.441336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.441336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.441336 (E_RNA) where: Base-Base interactions energy: -1202.754 where: short stacking energy: -531.429 Base-Backbone interact. energy: 5.835 local terms energy: -521.522467 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -84.643 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -67.359 tors. eta vs tors. theta energy: -166.958 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: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1663.690247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.690247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.690247 (E_RNA) where: Base-Base interactions energy: -1154.976 where: short stacking energy: -496.012 Base-Backbone interact. energy: 1.791 local terms energy: -510.505381 where: bonds (distance) C4'-P energy: -98.127 bonds (distance) P-C4' energy: -95.193 flat angles C4'-P-C4' energy: -100.060 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: -151.842 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: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1504.092076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.092076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.092076 (E_RNA) where: Base-Base interactions energy: -1044.608 where: short stacking energy: -431.021 Base-Backbone interact. energy: -3.390 local terms energy: -456.094296 where: bonds (distance) C4'-P energy: -79.361 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -104.016 flat angles P-C4'-P energy: -63.286 tors. eta vs tors. theta energy: -118.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1445.463507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.463507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.463507 (E_RNA) where: Base-Base interactions energy: -989.221 where: short stacking energy: -413.173 Base-Backbone interact. energy: -1.498 local terms energy: -454.745144 where: bonds (distance) C4'-P energy: -98.775 bonds (distance) P-C4' energy: -82.200 flat angles C4'-P-C4' energy: -96.486 flat angles P-C4'-P energy: -67.776 tors. eta vs tors. theta energy: -109.509 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: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1247.102854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.102854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.102854 (E_RNA) where: Base-Base interactions energy: -862.256 where: short stacking energy: -374.137 Base-Backbone interact. energy: 0.891 local terms energy: -385.737649 where: bonds (distance) C4'-P energy: -76.874 bonds (distance) P-C4' energy: -89.285 flat angles C4'-P-C4' energy: -83.555 flat angles P-C4'-P energy: -61.878 tors. eta vs tors. theta energy: -74.146 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: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1069.034809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.034809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.034809 (E_RNA) where: Base-Base interactions energy: -725.962 where: short stacking energy: -311.814 Base-Backbone interact. energy: 4.621 local terms energy: -347.693176 where: bonds (distance) C4'-P energy: -77.186 bonds (distance) P-C4' energy: -84.916 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -43.206 tors. eta vs tors. theta energy: -69.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -783.874847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.874847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.874847 (E_RNA) where: Base-Base interactions energy: -477.792 where: short stacking energy: -223.207 Base-Backbone interact. energy: -0.400 local terms energy: -305.682918 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -77.160 flat angles C4'-P-C4' energy: -81.766 flat angles P-C4'-P energy: -43.499 tors. eta vs tors. theta energy: -28.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -715.139569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.139569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.139569 (E_RNA) where: Base-Base interactions energy: -433.523 where: short stacking energy: -233.049 Base-Backbone interact. energy: -1.139 local terms energy: -280.477830 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -78.611 flat angles P-C4'-P energy: -31.191 tors. eta vs tors. theta energy: -23.471 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: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1833.798637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.798637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.798637 (E_RNA) where: Base-Base interactions energy: -1295.453 where: short stacking energy: -542.485 Base-Backbone interact. energy: -0.988 local terms energy: -537.356727 where: bonds (distance) C4'-P energy: -88.371 bonds (distance) P-C4' energy: -98.839 flat angles C4'-P-C4' energy: -122.909 flat angles P-C4'-P energy: -73.552 tors. eta vs tors. theta energy: -153.685 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: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1719.212012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.212012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.212012 (E_RNA) where: Base-Base interactions energy: -1222.299 where: short stacking energy: -502.238 Base-Backbone interact. energy: -3.831 local terms energy: -493.082068 where: bonds (distance) C4'-P energy: -90.563 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -101.382 flat angles P-C4'-P energy: -65.042 tors. eta vs tors. theta energy: -143.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1747.177553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.177553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.177553 (E_RNA) where: Base-Base interactions energy: -1230.289 where: short stacking energy: -539.685 Base-Backbone interact. energy: -1.260 local terms energy: -515.629376 where: bonds (distance) C4'-P energy: -91.061 bonds (distance) P-C4' energy: -86.346 flat angles C4'-P-C4' energy: -109.975 flat angles P-C4'-P energy: -62.121 tors. eta vs tors. theta energy: -166.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1655.149744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.149744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.149744 (E_RNA) where: Base-Base interactions energy: -1178.016 where: short stacking energy: -505.265 Base-Backbone interact. energy: 1.776 local terms energy: -478.909095 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -80.398 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -69.989 tors. eta vs tors. theta energy: -139.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1508.221612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.221612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.221612 (E_RNA) where: Base-Base interactions energy: -1046.806 where: short stacking energy: -464.044 Base-Backbone interact. energy: -2.416 local terms energy: -458.999385 where: bonds (distance) C4'-P energy: -91.129 bonds (distance) P-C4' energy: -89.327 flat angles C4'-P-C4' energy: -96.142 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -123.961 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: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1434.788580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.788580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.788580 (E_RNA) where: Base-Base interactions energy: -1007.837 where: short stacking energy: -416.676 Base-Backbone interact. energy: -1.158 local terms energy: -425.793110 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -57.053 tors. eta vs tors. theta energy: -112.171 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: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1326.414226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.414226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.414226 (E_RNA) where: Base-Base interactions energy: -897.724 where: short stacking energy: -402.531 Base-Backbone interact. energy: -0.563 local terms energy: -428.127370 where: bonds (distance) C4'-P energy: -87.721 bonds (distance) P-C4' energy: -82.834 flat angles C4'-P-C4' energy: -99.253 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -100.875 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: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1030.104694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.104694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.104694 (E_RNA) where: Base-Base interactions energy: -704.458 where: short stacking energy: -296.559 Base-Backbone interact. energy: -0.817 local terms energy: -324.829804 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -66.549 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -47.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -758.478299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.478299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.478299 (E_RNA) where: Base-Base interactions energy: -468.858 where: short stacking energy: -219.269 Base-Backbone interact. energy: -1.634 local terms energy: -287.986634 where: bonds (distance) C4'-P energy: -73.741 bonds (distance) P-C4' energy: -78.356 flat angles C4'-P-C4' energy: -79.559 flat angles P-C4'-P energy: -30.381 tors. eta vs tors. theta energy: -25.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -763.617880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.617880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.617880 (E_RNA) where: Base-Base interactions energy: -447.161 where: short stacking energy: -224.968 Base-Backbone interact. energy: -2.064 local terms energy: -314.393349 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -77.814 flat angles C4'-P-C4' energy: -84.793 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -22.004 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: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1815.481717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.481717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.481717 (E_RNA) where: Base-Base interactions energy: -1282.855 where: short stacking energy: -536.216 Base-Backbone interact. energy: -2.182 local terms energy: -530.445525 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -99.869 flat angles C4'-P-C4' energy: -112.050 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -146.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1798.009832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.009832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.009832 (E_RNA) where: Base-Base interactions energy: -1242.837 where: short stacking energy: -557.802 Base-Backbone interact. energy: 0.454 local terms energy: -555.626868 where: bonds (distance) C4'-P energy: -93.099 bonds (distance) P-C4' energy: -105.483 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -69.833 tors. eta vs tors. theta energy: -170.304 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: 449 Temperature: 1.000000 Total energy: -1688.826158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.826158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.826158 (E_RNA) where: Base-Base interactions energy: -1181.822 where: short stacking energy: -475.206 Base-Backbone interact. energy: -6.193 local terms energy: -500.810316 where: bonds (distance) C4'-P energy: -93.099 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -106.585 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -141.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1649.649827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.649827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.649827 (E_RNA) where: Base-Base interactions energy: -1155.744 where: short stacking energy: -491.394 Base-Backbone interact. energy: -1.518 local terms energy: -492.387222 where: bonds (distance) C4'-P energy: -92.768 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -105.370 flat angles P-C4'-P energy: -67.382 tors. eta vs tors. theta energy: -146.009 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: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1523.946169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.946169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.946169 (E_RNA) where: Base-Base interactions energy: -1044.520 where: short stacking energy: -478.085 Base-Backbone interact. energy: -2.100 local terms energy: -477.325317 where: bonds (distance) C4'-P energy: -73.755 bonds (distance) P-C4' energy: -95.727 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -138.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1445.748781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.748781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.748781 (E_RNA) where: Base-Base interactions energy: -983.320 where: short stacking energy: -411.498 Base-Backbone interact. energy: -0.445 local terms energy: -461.983971 where: bonds (distance) C4'-P energy: -87.838 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -100.377 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -116.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1338.257000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.257000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.257000 (E_RNA) where: Base-Base interactions energy: -933.396 where: short stacking energy: -409.245 Base-Backbone interact. energy: -1.143 local terms energy: -403.718051 where: bonds (distance) C4'-P energy: -55.965 bonds (distance) P-C4' energy: -88.698 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -112.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1015.831117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.831117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.831117 (E_RNA) where: Base-Base interactions energy: -640.540 where: short stacking energy: -286.782 Base-Backbone interact. energy: -1.954 local terms energy: -373.337180 where: bonds (distance) C4'-P energy: -81.005 bonds (distance) P-C4' energy: -98.422 flat angles C4'-P-C4' energy: -79.017 flat angles P-C4'-P energy: -54.188 tors. eta vs tors. theta energy: -60.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -751.565756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.565756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.565756 (E_RNA) where: Base-Base interactions energy: -444.012 where: short stacking energy: -223.954 Base-Backbone interact. energy: -1.816 local terms energy: -305.737216 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -77.274 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -24.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -721.589479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.589479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.589479 (E_RNA) where: Base-Base interactions energy: -436.639 where: short stacking energy: -209.794 Base-Backbone interact. energy: 4.711 local terms energy: -289.660980 where: bonds (distance) C4'-P energy: -75.597 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -24.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1839.923826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.923826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.923826 (E_RNA) where: Base-Base interactions energy: -1312.197 where: short stacking energy: -527.930 Base-Backbone interact. energy: 0.505 local terms energy: -528.231171 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -98.507 flat angles C4'-P-C4' energy: -111.785 flat angles P-C4'-P energy: -68.292 tors. eta vs tors. theta energy: -150.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1789.047349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.047349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.047349 (E_RNA) where: Base-Base interactions energy: -1234.785 where: short stacking energy: -551.360 Base-Backbone interact. energy: -2.025 local terms energy: -552.237178 where: bonds (distance) C4'-P energy: -98.548 bonds (distance) P-C4' energy: -97.211 flat angles C4'-P-C4' energy: -109.279 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -165.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1675.011727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.011727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.011727 (E_RNA) where: Base-Base interactions energy: -1192.036 where: short stacking energy: -498.839 Base-Backbone interact. energy: -0.971 local terms energy: -482.004717 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -146.141 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: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1654.588302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.588302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.588302 (E_RNA) where: Base-Base interactions energy: -1143.012 where: short stacking energy: -516.571 Base-Backbone interact. energy: -0.605 local terms energy: -510.971369 where: bonds (distance) C4'-P energy: -93.227 bonds (distance) P-C4' energy: -93.815 flat angles C4'-P-C4' energy: -103.466 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -146.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1494.747698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.747698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.747698 (E_RNA) where: Base-Base interactions energy: -1048.017 where: short stacking energy: -435.489 Base-Backbone interact. energy: 0.852 local terms energy: -447.582204 where: bonds (distance) C4'-P energy: -86.263 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -53.169 tors. eta vs tors. theta energy: -118.448 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: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1416.637646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.637646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.637646 (E_RNA) where: Base-Base interactions energy: -1001.108 where: short stacking energy: -409.566 Base-Backbone interact. energy: -2.197 local terms energy: -413.332249 where: bonds (distance) C4'-P energy: -65.305 bonds (distance) P-C4' energy: -80.382 flat angles C4'-P-C4' energy: -96.493 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -101.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1318.931795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.931795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.931795 (E_RNA) where: Base-Base interactions energy: -884.192 where: short stacking energy: -387.303 Base-Backbone interact. energy: 1.235 local terms energy: -435.974745 where: bonds (distance) C4'-P energy: -82.911 bonds (distance) P-C4' energy: -89.077 flat angles C4'-P-C4' energy: -94.999 flat angles P-C4'-P energy: -64.356 tors. eta vs tors. theta energy: -104.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1096.304705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.304705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.304705 (E_RNA) where: Base-Base interactions energy: -712.424 where: short stacking energy: -311.298 Base-Backbone interact. energy: -3.181 local terms energy: -380.699849 where: bonds (distance) C4'-P energy: -82.985 bonds (distance) P-C4' energy: -85.292 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -70.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -763.350559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.350559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.350559 (E_RNA) where: Base-Base interactions energy: -457.796 where: short stacking energy: -247.787 Base-Backbone interact. energy: 0.836 local terms energy: -306.390359 where: bonds (distance) C4'-P energy: -58.933 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -83.932 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: -41.988 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: 450 Temperature: 1.350000 Total energy: -687.536082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.536082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.536082 (E_RNA) where: Base-Base interactions energy: -399.334 where: short stacking energy: -205.560 Base-Backbone interact. energy: 1.780 local terms energy: -289.981630 where: bonds (distance) C4'-P energy: -82.694 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -77.361 flat angles P-C4'-P energy: -38.004 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1845.918711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.918711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.918711 (E_RNA) where: Base-Base interactions energy: -1316.262 where: short stacking energy: -543.363 Base-Backbone interact. energy: -1.790 local terms energy: -527.866275 where: bonds (distance) C4'-P energy: -90.557 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -111.549 flat angles P-C4'-P energy: -75.649 tors. eta vs tors. theta energy: -151.878 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: 2, replica: 7 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1787.234609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.234609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.234609 (E_RNA) where: Base-Base interactions energy: -1253.177 where: short stacking energy: -535.150 Base-Backbone interact. energy: -0.824 local terms energy: -533.233403 where: bonds (distance) C4'-P energy: -94.992 bonds (distance) P-C4' energy: -105.364 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -159.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1647.110728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.110728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.110728 (E_RNA) where: Base-Base interactions energy: -1171.645 where: short stacking energy: -478.292 Base-Backbone interact. energy: -0.401 local terms energy: -475.064766 where: bonds (distance) C4'-P energy: -66.297 bonds (distance) P-C4' energy: -100.636 flat angles C4'-P-C4' energy: -100.344 flat angles P-C4'-P energy: -74.289 tors. eta vs tors. theta energy: -133.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1628.749741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.749741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.749741 (E_RNA) where: Base-Base interactions energy: -1135.907 where: short stacking energy: -497.955 Base-Backbone interact. energy: -1.946 local terms energy: -490.897220 where: bonds (distance) C4'-P energy: -81.482 bonds (distance) P-C4' energy: -94.390 flat angles C4'-P-C4' energy: -106.455 flat angles P-C4'-P energy: -58.123 tors. eta vs tors. theta energy: -150.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1490.024028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.024028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.024028 (E_RNA) where: Base-Base interactions energy: -1058.944 where: short stacking energy: -443.923 Base-Backbone interact. energy: 2.331 local terms energy: -433.410546 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -111.280 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: 451 Temperature: 1.150000 Total energy: -1461.363119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.363119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.363119 (E_RNA) where: Base-Base interactions energy: -1005.847 where: short stacking energy: -437.866 Base-Backbone interact. energy: -0.487 local terms energy: -455.029558 where: bonds (distance) C4'-P energy: -93.567 bonds (distance) P-C4' energy: -85.061 flat angles C4'-P-C4' energy: -99.510 flat angles P-C4'-P energy: -66.959 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1326.060030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.060030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.060030 (E_RNA) where: Base-Base interactions energy: -889.938 where: short stacking energy: -386.016 Base-Backbone interact. energy: -0.340 local terms energy: -435.782504 where: bonds (distance) C4'-P energy: -91.961 bonds (distance) P-C4' energy: -83.125 flat angles C4'-P-C4' energy: -93.769 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -99.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1141.746642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.746642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.746642 (E_RNA) where: Base-Base interactions energy: -772.057 where: short stacking energy: -331.249 Base-Backbone interact. energy: -0.662 local terms energy: -369.026814 where: bonds (distance) C4'-P energy: -73.051 bonds (distance) P-C4' energy: -85.200 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -54.589 tors. eta vs tors. theta energy: -65.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -762.396075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.396075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.396075 (E_RNA) where: Base-Base interactions energy: -458.204 where: short stacking energy: -249.737 Base-Backbone interact. energy: 2.471 local terms energy: -306.662772 where: bonds (distance) C4'-P energy: -60.854 bonds (distance) P-C4' energy: -98.354 flat angles C4'-P-C4' energy: -92.122 flat angles P-C4'-P energy: -25.401 tors. eta vs tors. theta energy: -29.933 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: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -716.164845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.164845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.164845 (E_RNA) where: Base-Base interactions energy: -422.507 where: short stacking energy: -198.577 Base-Backbone interact. energy: -2.426 local terms energy: -291.232461 where: bonds (distance) C4'-P energy: -83.813 bonds (distance) P-C4' energy: -78.334 flat angles C4'-P-C4' energy: -64.172 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -18.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1834.914951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.914951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.914951 (E_RNA) where: Base-Base interactions energy: -1291.204 where: short stacking energy: -545.870 Base-Backbone interact. energy: -0.709 local terms energy: -543.002203 where: bonds (distance) C4'-P energy: -102.906 bonds (distance) P-C4' energy: -96.679 flat angles C4'-P-C4' energy: -120.575 flat angles P-C4'-P energy: -68.607 tors. eta vs tors. theta energy: -154.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1791.149743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.149743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.149743 (E_RNA) where: Base-Base interactions energy: -1239.364 where: short stacking energy: -522.911 Base-Backbone interact. energy: -4.342 local terms energy: -547.443494 where: bonds (distance) C4'-P energy: -96.172 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -112.038 flat angles P-C4'-P energy: -73.016 tors. eta vs tors. theta energy: -163.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1676.588115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.588115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.588115 (E_RNA) where: Base-Base interactions energy: -1179.283 where: short stacking energy: -509.007 Base-Backbone interact. energy: -1.936 local terms energy: -495.369423 where: bonds (distance) C4'-P energy: -93.792 bonds (distance) P-C4' energy: -89.478 flat angles C4'-P-C4' energy: -105.416 flat angles P-C4'-P energy: -64.120 tors. eta vs tors. theta energy: -142.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1611.075669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.075669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.075669 (E_RNA) where: Base-Base interactions energy: -1138.656 where: short stacking energy: -472.436 Base-Backbone interact. energy: 5.283 local terms energy: -477.701950 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -95.944 flat angles C4'-P-C4' energy: -85.265 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -136.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1460.836982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.836982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.836982 (E_RNA) where: Base-Base interactions energy: -1007.870 where: short stacking energy: -389.241 Base-Backbone interact. energy: -2.517 local terms energy: -450.449614 where: bonds (distance) C4'-P energy: -86.301 bonds (distance) P-C4' energy: -97.823 flat angles C4'-P-C4' energy: -108.354 flat angles P-C4'-P energy: -52.490 tors. eta vs tors. theta energy: -105.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1420.058697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.058697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.058697 (E_RNA) where: Base-Base interactions energy: -956.269 where: short stacking energy: -412.663 Base-Backbone interact. energy: -2.479 local terms energy: -461.311268 where: bonds (distance) C4'-P energy: -91.917 bonds (distance) P-C4' energy: -94.535 flat angles C4'-P-C4' energy: -103.200 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -105.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1331.319499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.319499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.319499 (E_RNA) where: Base-Base interactions energy: -895.454 where: short stacking energy: -401.140 Base-Backbone interact. energy: 0.528 local terms energy: -436.393442 where: bonds (distance) C4'-P energy: -86.252 bonds (distance) P-C4' energy: -82.764 flat angles C4'-P-C4' energy: -101.193 flat angles P-C4'-P energy: -60.724 tors. eta vs tors. theta energy: -105.460 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: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1135.335649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.335649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.335649 (E_RNA) where: Base-Base interactions energy: -760.942 where: short stacking energy: -329.308 Base-Backbone interact. energy: -2.069 local terms energy: -372.324834 where: bonds (distance) C4'-P energy: -91.073 bonds (distance) P-C4' energy: -86.562 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: -61.889 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: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -767.643373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.643373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.643373 (E_RNA) where: Base-Base interactions energy: -478.263 where: short stacking energy: -243.168 Base-Backbone interact. energy: -0.090 local terms energy: -289.290897 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -75.678 flat angles C4'-P-C4' energy: -85.877 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -18.849 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: 452 Temperature: 1.350000 Total energy: -705.095923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.095923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.095923 (E_RNA) where: Base-Base interactions energy: -398.683 where: short stacking energy: -199.607 Base-Backbone interact. energy: 1.177 local terms energy: -307.589836 where: bonds (distance) C4'-P energy: -68.547 bonds (distance) P-C4' energy: -77.857 flat angles C4'-P-C4' energy: -94.971 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -17.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1839.077149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.077149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.077149 (E_RNA) where: Base-Base interactions energy: -1290.341 where: short stacking energy: -536.754 Base-Backbone interact. energy: -1.817 local terms energy: -546.918546 where: bonds (distance) C4'-P energy: -104.966 bonds (distance) P-C4' energy: -88.687 flat angles C4'-P-C4' energy: -114.613 flat angles P-C4'-P energy: -84.573 tors. eta vs tors. theta energy: -154.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1782.193712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.193712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.193712 (E_RNA) where: Base-Base interactions energy: -1228.798 where: short stacking energy: -544.426 Base-Backbone interact. energy: -1.813 local terms energy: -551.582329 where: bonds (distance) C4'-P energy: -96.389 bonds (distance) P-C4' energy: -103.763 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -73.465 tors. eta vs tors. theta energy: -165.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1692.491603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.491603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.491603 (E_RNA) where: Base-Base interactions energy: -1177.794 where: short stacking energy: -517.446 Base-Backbone interact. energy: -2.462 local terms energy: -512.235995 where: bonds (distance) C4'-P energy: -93.051 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -110.064 flat angles P-C4'-P energy: -66.395 tors. eta vs tors. theta energy: -147.860 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: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1580.880031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.880031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.880031 (E_RNA) where: Base-Base interactions energy: -1122.607 where: short stacking energy: -465.321 Base-Backbone interact. energy: 0.279 local terms energy: -458.551758 where: bonds (distance) C4'-P energy: -87.145 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -104.633 flat angles P-C4'-P energy: -56.939 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: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1446.830077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.830077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.830077 (E_RNA) where: Base-Base interactions energy: -986.357 where: short stacking energy: -424.431 Base-Backbone interact. energy: 0.483 local terms energy: -460.955310 where: bonds (distance) C4'-P energy: -89.200 bonds (distance) P-C4' energy: -91.573 flat angles C4'-P-C4' energy: -106.938 flat angles P-C4'-P energy: -67.133 tors. eta vs tors. theta energy: -106.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1412.822820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.822820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.822820 (E_RNA) where: Base-Base interactions energy: -988.037 where: short stacking energy: -431.151 Base-Backbone interact. energy: 3.639 local terms energy: -428.424970 where: bonds (distance) C4'-P energy: -71.184 bonds (distance) P-C4' energy: -88.424 flat angles C4'-P-C4' energy: -93.629 flat angles P-C4'-P energy: -66.013 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: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1325.388572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.388572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.388572 (E_RNA) where: Base-Base interactions energy: -885.304 where: short stacking energy: -377.568 Base-Backbone interact. energy: -1.559 local terms energy: -438.526108 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -96.783 flat angles C4'-P-C4' energy: -104.046 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -88.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1171.216459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.216459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.216459 (E_RNA) where: Base-Base interactions energy: -793.470 where: short stacking energy: -357.964 Base-Backbone interact. energy: 0.800 local terms energy: -378.546360 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -86.190 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -84.812 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: 453 Temperature: 1.300000 Total energy: -782.106453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.106453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.106453 (E_RNA) where: Base-Base interactions energy: -455.933 where: short stacking energy: -236.990 Base-Backbone interact. energy: 1.662 local terms energy: -327.834944 where: bonds (distance) C4'-P energy: -86.590 bonds (distance) P-C4' energy: -84.971 flat angles C4'-P-C4' energy: -80.668 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -34.355 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: 453 Temperature: 1.350000 Total energy: -722.508158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.508158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.508158 (E_RNA) where: Base-Base interactions energy: -400.312 where: short stacking energy: -184.519 Base-Backbone interact. energy: 0.271 local terms energy: -322.467254 where: bonds (distance) C4'-P energy: -85.229 bonds (distance) P-C4' energy: -87.831 flat angles C4'-P-C4' energy: -85.144 flat angles P-C4'-P energy: -36.534 tors. eta vs tors. theta energy: -27.729 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: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1838.641658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.641658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.641658 (E_RNA) where: Base-Base interactions energy: -1295.717 where: short stacking energy: -525.711 Base-Backbone interact. energy: -2.608 local terms energy: -540.316497 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -100.921 flat angles C4'-P-C4' energy: -110.956 flat angles P-C4'-P energy: -72.463 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: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1759.783030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.783030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.783030 (E_RNA) where: Base-Base interactions energy: -1209.287 where: short stacking energy: -532.710 Base-Backbone interact. energy: -0.315 local terms energy: -550.181372 where: bonds (distance) C4'-P energy: -99.670 bonds (distance) P-C4' energy: -94.174 flat angles C4'-P-C4' energy: -119.546 flat angles P-C4'-P energy: -72.493 tors. eta vs tors. theta energy: -164.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1678.023632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.023632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.023632 (E_RNA) where: Base-Base interactions energy: -1178.438 where: short stacking energy: -504.904 Base-Backbone interact. energy: -2.160 local terms energy: -497.425396 where: bonds (distance) C4'-P energy: -95.055 bonds (distance) P-C4' energy: -88.876 flat angles C4'-P-C4' energy: -103.039 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -141.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1572.236233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.236233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.236233 (E_RNA) where: Base-Base interactions energy: -1092.436 where: short stacking energy: -444.526 Base-Backbone interact. energy: 0.497 local terms energy: -480.296995 where: bonds (distance) C4'-P energy: -85.400 bonds (distance) P-C4' energy: -93.046 flat angles C4'-P-C4' energy: -103.943 flat angles P-C4'-P energy: -72.350 tors. eta vs tors. theta energy: -125.558 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: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1490.335670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.335670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.335670 (E_RNA) where: Base-Base interactions energy: -1022.106 where: short stacking energy: -446.878 Base-Backbone interact. energy: -2.073 local terms energy: -466.156679 where: bonds (distance) C4'-P energy: -86.038 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -100.913 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -120.328 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: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1380.722428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.722428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.722428 (E_RNA) where: Base-Base interactions energy: -957.398 where: short stacking energy: -387.337 Base-Backbone interact. energy: -1.492 local terms energy: -421.832946 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: -100.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1354.382610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.382610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.382610 (E_RNA) where: Base-Base interactions energy: -920.140 where: short stacking energy: -413.390 Base-Backbone interact. energy: -3.531 local terms energy: -430.711091 where: bonds (distance) C4'-P energy: -76.717 bonds (distance) P-C4' energy: -73.850 flat angles C4'-P-C4' energy: -90.570 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: -118.086 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: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1132.987398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.987398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.987398 (E_RNA) where: Base-Base interactions energy: -751.200 where: short stacking energy: -335.514 Base-Backbone interact. energy: -1.273 local terms energy: -380.514563 where: bonds (distance) C4'-P energy: -82.284 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -96.826 flat angles P-C4'-P energy: -62.326 tors. eta vs tors. theta energy: -69.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -798.853904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.853904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.853904 (E_RNA) where: Base-Base interactions energy: -479.059 where: short stacking energy: -225.541 Base-Backbone interact. energy: -1.250 local terms energy: -318.545268 where: bonds (distance) C4'-P energy: -73.954 bonds (distance) P-C4' energy: -78.668 flat angles C4'-P-C4' energy: -69.515 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -48.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -673.994096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.994096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.994096 (E_RNA) where: Base-Base interactions energy: -399.376 where: short stacking energy: -206.551 Base-Backbone interact. energy: 1.992 local terms energy: -276.610115 where: bonds (distance) C4'-P energy: -78.251 bonds (distance) P-C4' energy: -83.419 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -27.983 tors. eta vs tors. theta energy: -24.672 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: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1831.429769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.429769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.429769 (E_RNA) where: Base-Base interactions energy: -1280.089 where: short stacking energy: -534.025 Base-Backbone interact. energy: -1.125 local terms energy: -550.216220 where: bonds (distance) C4'-P energy: -104.191 bonds (distance) P-C4' energy: -97.609 flat angles C4'-P-C4' energy: -114.541 flat angles P-C4'-P energy: -78.714 tors. eta vs tors. theta energy: -155.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1774.655050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.655050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.655050 (E_RNA) where: Base-Base interactions energy: -1251.373 where: short stacking energy: -542.763 Base-Backbone interact. energy: -0.468 local terms energy: -522.814405 where: bonds (distance) C4'-P energy: -83.398 bonds (distance) P-C4' energy: -94.047 flat angles C4'-P-C4' energy: -110.341 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -166.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1691.998097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.998097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.998097 (E_RNA) where: Base-Base interactions energy: -1171.189 where: short stacking energy: -517.928 Base-Backbone interact. energy: -4.349 local terms energy: -516.459173 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -151.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1508.622513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.622513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.622513 (E_RNA) where: Base-Base interactions energy: -1045.538 where: short stacking energy: -461.113 Base-Backbone interact. energy: -0.420 local terms energy: -462.665142 where: bonds (distance) C4'-P energy: -83.723 bonds (distance) P-C4' energy: -98.933 flat angles C4'-P-C4' energy: -85.122 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -129.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1530.966683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.966683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.966683 (E_RNA) where: Base-Base interactions energy: -1069.053 where: short stacking energy: -435.341 Base-Backbone interact. energy: -1.478 local terms energy: -460.436181 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -97.386 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -120.534 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: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1445.040102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.040102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.040102 (E_RNA) where: Base-Base interactions energy: -999.624 where: short stacking energy: -447.334 Base-Backbone interact. energy: -1.757 local terms energy: -443.658890 where: bonds (distance) C4'-P energy: -90.550 bonds (distance) P-C4' energy: -86.267 flat angles C4'-P-C4' energy: -97.490 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -118.677 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: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1329.651638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.651638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.651638 (E_RNA) where: Base-Base interactions energy: -900.401 where: short stacking energy: -411.220 Base-Backbone interact. energy: -0.693 local terms energy: -428.557662 where: bonds (distance) C4'-P energy: -90.097 bonds (distance) P-C4' energy: -80.198 flat angles C4'-P-C4' energy: -96.210 flat angles P-C4'-P energy: -61.723 tors. eta vs tors. theta energy: -100.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1113.191626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.191626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.191626 (E_RNA) where: Base-Base interactions energy: -735.765 where: short stacking energy: -328.162 Base-Backbone interact. energy: -0.422 local terms energy: -377.004185 where: bonds (distance) C4'-P energy: -73.652 bonds (distance) P-C4' energy: -83.933 flat angles C4'-P-C4' energy: -86.507 flat angles P-C4'-P energy: -54.199 tors. eta vs tors. theta energy: -78.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -832.692407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.692407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.692407 (E_RNA) where: Base-Base interactions energy: -490.477 where: short stacking energy: -228.672 Base-Backbone interact. energy: -1.852 local terms energy: -340.363949 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -54.944 tors. eta vs tors. theta energy: -34.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -687.009396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.009396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.009396 (E_RNA) where: Base-Base interactions energy: -405.907 where: short stacking energy: -217.954 Base-Backbone interact. energy: 5.738 local terms energy: -286.840981 where: bonds (distance) C4'-P energy: -66.751 bonds (distance) P-C4' energy: -91.663 flat angles C4'-P-C4' energy: -59.144 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -24.813 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: 456 Temperature: 0.900000 Total energy: -1782.145168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.145168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.145168 (E_RNA) where: Base-Base interactions energy: -1221.596 where: short stacking energy: -538.669 Base-Backbone interact. energy: -0.799 local terms energy: -559.749187 where: bonds (distance) C4'-P energy: -94.654 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -88.733 tors. eta vs tors. theta energy: -167.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1763.061270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.061270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.061270 (E_RNA) where: Base-Base interactions energy: -1233.377 where: short stacking energy: -493.345 Base-Backbone interact. energy: -2.375 local terms energy: -527.309379 where: bonds (distance) C4'-P energy: -99.978 bonds (distance) P-C4' energy: -94.684 flat angles C4'-P-C4' energy: -112.816 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -143.526 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: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1688.234277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.234277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.234277 (E_RNA) where: Base-Base interactions energy: -1163.983 where: short stacking energy: -512.024 Base-Backbone interact. energy: 3.263 local terms energy: -527.514884 where: bonds (distance) C4'-P energy: -96.866 bonds (distance) P-C4' energy: -93.751 flat angles C4'-P-C4' energy: -110.189 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -151.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1565.767175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.767175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.767175 (E_RNA) where: Base-Base interactions energy: -1065.254 where: short stacking energy: -476.654 Base-Backbone interact. energy: -2.551 local terms energy: -497.962139 where: bonds (distance) C4'-P energy: -106.655 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -109.100 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -142.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1514.123101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.123101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.123101 (E_RNA) where: Base-Base interactions energy: -1042.647 where: short stacking energy: -422.598 Base-Backbone interact. energy: 2.288 local terms energy: -473.764724 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -91.465 flat angles C4'-P-C4' energy: -111.831 flat angles P-C4'-P energy: -52.412 tors. eta vs tors. theta energy: -127.860 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: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1395.527995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.527995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.527995 (E_RNA) where: Base-Base interactions energy: -955.933 where: short stacking energy: -416.718 Base-Backbone interact. energy: 0.198 local terms energy: -439.793605 where: bonds (distance) C4'-P energy: -79.436 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -83.016 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -114.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1396.451157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.451157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.451157 (E_RNA) where: Base-Base interactions energy: -962.796 where: short stacking energy: -412.187 Base-Backbone interact. energy: -1.961 local terms energy: -431.694359 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -83.565 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -64.242 tors. eta vs tors. theta energy: -120.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1095.967012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.967012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.967012 (E_RNA) where: Base-Base interactions energy: -724.950 where: short stacking energy: -314.609 Base-Backbone interact. energy: -0.744 local terms energy: -370.273379 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -87.698 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -74.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -809.772681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.772681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.772681 (E_RNA) where: Base-Base interactions energy: -502.794 where: short stacking energy: -215.039 Base-Backbone interact. energy: 3.727 local terms energy: -310.705518 where: bonds (distance) C4'-P energy: -61.130 bonds (distance) P-C4' energy: -97.882 flat angles C4'-P-C4' energy: -89.635 flat angles P-C4'-P energy: -36.708 tors. eta vs tors. theta energy: -25.350 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: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -658.898035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.898035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.898035 (E_RNA) where: Base-Base interactions energy: -398.197 where: short stacking energy: -208.733 Base-Backbone interact. energy: 4.816 local terms energy: -265.516782 where: bonds (distance) C4'-P energy: -72.109 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -69.159 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -6.773 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: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1805.991949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.991949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.991949 (E_RNA) where: Base-Base interactions energy: -1236.479 where: short stacking energy: -535.659 Base-Backbone interact. energy: -0.455 local terms energy: -569.057989 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -103.313 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -164.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1782.861042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.861042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.861042 (E_RNA) where: Base-Base interactions energy: -1271.023 where: short stacking energy: -531.388 Base-Backbone interact. energy: -2.921 local terms energy: -508.916956 where: bonds (distance) C4'-P energy: -88.357 bonds (distance) P-C4' energy: -102.435 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -141.683 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1692.680591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.680591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.680591 (E_RNA) where: Base-Base interactions energy: -1184.315 where: short stacking energy: -510.570 Base-Backbone interact. energy: -3.148 local terms energy: -505.217835 where: bonds (distance) C4'-P energy: -93.009 bonds (distance) P-C4' energy: -87.970 flat angles C4'-P-C4' energy: -104.547 flat angles P-C4'-P energy: -65.398 tors. eta vs tors. theta energy: -154.293 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: 457 Temperature: 1.050000 Total energy: -1598.042402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.042402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.042402 (E_RNA) where: Base-Base interactions energy: -1117.965 where: short stacking energy: -462.008 Base-Backbone interact. energy: -2.330 local terms energy: -477.747182 where: bonds (distance) C4'-P energy: -96.359 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -100.827 flat angles P-C4'-P energy: -68.373 tors. eta vs tors. theta energy: -126.935 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: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1515.435461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.435461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.435461 (E_RNA) where: Base-Base interactions energy: -1050.845 where: short stacking energy: -459.846 Base-Backbone interact. energy: 3.173 local terms energy: -467.763805 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -88.046 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -54.995 tors. eta vs tors. theta energy: -121.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1409.978172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.978172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.978172 (E_RNA) where: Base-Base interactions energy: -966.711 where: short stacking energy: -414.775 Base-Backbone interact. energy: -1.548 local terms energy: -441.719243 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -92.118 flat angles C4'-P-C4' energy: -86.057 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -123.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1368.897076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.897076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.897076 (E_RNA) where: Base-Base interactions energy: -936.483 where: short stacking energy: -399.192 Base-Backbone interact. energy: -1.174 local terms energy: -431.240081 where: bonds (distance) C4'-P energy: -102.821 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -96.714 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -106.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1129.638724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.638724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.638724 (E_RNA) where: Base-Base interactions energy: -738.393 where: short stacking energy: -347.724 Base-Backbone interact. energy: -2.098 local terms energy: -389.148560 where: bonds (distance) C4'-P energy: -72.304 bonds (distance) P-C4' energy: -77.407 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -86.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -718.203713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.203713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.203713 (E_RNA) where: Base-Base interactions energy: -446.174 where: short stacking energy: -211.898 Base-Backbone interact. energy: 4.314 local terms energy: -276.344311 where: bonds (distance) C4'-P energy: -80.014 bonds (distance) P-C4' energy: -74.985 flat angles C4'-P-C4' energy: -68.271 flat angles P-C4'-P energy: -33.746 tors. eta vs tors. theta energy: -19.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -610.652462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.652462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.652462 (E_RNA) where: Base-Base interactions energy: -348.779 where: short stacking energy: -163.766 Base-Backbone interact. energy: -2.540 local terms energy: -259.333512 where: bonds (distance) C4'-P energy: -68.860 bonds (distance) P-C4' energy: -79.214 flat angles C4'-P-C4' energy: -55.381 flat angles P-C4'-P energy: -41.363 tors. eta vs tors. theta energy: -14.515 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: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1782.850041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.850041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.850041 (E_RNA) where: Base-Base interactions energy: -1211.204 where: short stacking energy: -531.383 Base-Backbone interact. energy: -0.315 local terms energy: -571.330845 where: bonds (distance) C4'-P energy: -99.030 bonds (distance) P-C4' energy: -116.905 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -164.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1776.310466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.310466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.310466 (E_RNA) where: Base-Base interactions energy: -1262.997 where: short stacking energy: -529.988 Base-Backbone interact. energy: -3.222 local terms energy: -510.090900 where: bonds (distance) C4'-P energy: -87.920 bonds (distance) P-C4' energy: -94.637 flat angles C4'-P-C4' energy: -116.299 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -148.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1690.199636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.199636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.199636 (E_RNA) where: Base-Base interactions energy: -1182.114 where: short stacking energy: -533.437 Base-Backbone interact. energy: -1.741 local terms energy: -506.344630 where: bonds (distance) C4'-P energy: -79.350 bonds (distance) P-C4' energy: -90.126 flat angles C4'-P-C4' energy: -118.840 flat angles P-C4'-P energy: -64.071 tors. eta vs tors. theta energy: -153.958 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: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1567.050187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.050187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.050187 (E_RNA) where: Base-Base interactions energy: -1116.494 where: short stacking energy: -428.334 Base-Backbone interact. energy: -0.035 local terms energy: -450.522036 where: bonds (distance) C4'-P energy: -87.106 bonds (distance) P-C4' energy: -85.683 flat angles C4'-P-C4' energy: -97.452 flat angles P-C4'-P energy: -61.853 tors. eta vs tors. theta energy: -118.429 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: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1504.333065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.333065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.333065 (E_RNA) where: Base-Base interactions energy: -1028.054 where: short stacking energy: -458.274 Base-Backbone interact. energy: 0.584 local terms energy: -476.863301 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -94.000 flat angles C4'-P-C4' energy: -103.401 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -138.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1436.083473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.083473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.083473 (E_RNA) where: Base-Base interactions energy: -990.087 where: short stacking energy: -443.697 Base-Backbone interact. energy: -1.500 local terms energy: -444.496669 where: bonds (distance) C4'-P energy: -88.278 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -95.428 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -126.318 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: 458 Temperature: 1.200000 Total energy: -1293.184042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.184042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.184042 (E_RNA) where: Base-Base interactions energy: -886.183 where: short stacking energy: -384.581 Base-Backbone interact. energy: -1.054 local terms energy: -405.946321 where: bonds (distance) C4'-P energy: -78.055 bonds (distance) P-C4' energy: -78.942 flat angles C4'-P-C4' energy: -84.519 flat angles P-C4'-P energy: -60.678 tors. eta vs tors. theta energy: -103.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1081.949774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.949774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.949774 (E_RNA) where: Base-Base interactions energy: -724.563 where: short stacking energy: -308.052 Base-Backbone interact. energy: -3.269 local terms energy: -354.117834 where: bonds (distance) C4'-P energy: -81.193 bonds (distance) P-C4' energy: -75.178 flat angles C4'-P-C4' energy: -87.762 flat angles P-C4'-P energy: -44.744 tors. eta vs tors. theta energy: -65.240 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: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -739.634559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.634559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.634559 (E_RNA) where: Base-Base interactions energy: -424.107 where: short stacking energy: -229.475 Base-Backbone interact. energy: 1.962 local terms energy: -317.489815 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -83.852 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -36.259 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: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -608.624289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.624289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.624289 (E_RNA) where: Base-Base interactions energy: -321.327 where: short stacking energy: -185.663 Base-Backbone interact. energy: 1.097 local terms energy: -288.394698 where: bonds (distance) C4'-P energy: -82.363 bonds (distance) P-C4' energy: -81.089 flat angles C4'-P-C4' energy: -78.061 flat angles P-C4'-P energy: -33.389 tors. eta vs tors. theta energy: -13.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1793.626065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.626065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.626065 (E_RNA) where: Base-Base interactions energy: -1246.199 where: short stacking energy: -538.746 Base-Backbone interact. energy: -1.110 local terms energy: -546.317110 where: bonds (distance) C4'-P energy: -101.615 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -111.697 flat angles P-C4'-P energy: -84.442 tors. eta vs tors. theta energy: -162.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1792.276840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.276840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.276840 (E_RNA) where: Base-Base interactions energy: -1282.973 where: short stacking energy: -513.591 Base-Backbone interact. energy: -1.473 local terms energy: -507.830388 where: bonds (distance) C4'-P energy: -91.853 bonds (distance) P-C4' energy: -90.689 flat angles C4'-P-C4' energy: -106.339 flat angles P-C4'-P energy: -73.635 tors. eta vs tors. theta energy: -145.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1686.348534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.348534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.348534 (E_RNA) where: Base-Base interactions energy: -1154.392 where: short stacking energy: -484.178 Base-Backbone interact. energy: 0.091 local terms energy: -532.047678 where: bonds (distance) C4'-P energy: -87.453 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1577.470016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.470016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.470016 (E_RNA) where: Base-Base interactions energy: -1091.817 where: short stacking energy: -468.872 Base-Backbone interact. energy: -3.398 local terms energy: -482.255621 where: bonds (distance) C4'-P energy: -86.246 bonds (distance) P-C4' energy: -96.264 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -128.686 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: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1486.820813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.820813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.820813 (E_RNA) where: Base-Base interactions energy: -1031.958 where: short stacking energy: -441.259 Base-Backbone interact. energy: -0.701 local terms energy: -454.162184 where: bonds (distance) C4'-P energy: -84.792 bonds (distance) P-C4' energy: -89.069 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: -124.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1401.188438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.188438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.188438 (E_RNA) where: Base-Base interactions energy: -945.213 where: short stacking energy: -407.814 Base-Backbone interact. energy: 0.474 local terms energy: -456.450028 where: bonds (distance) C4'-P energy: -88.234 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -96.808 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -108.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1254.569945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.569945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.569945 (E_RNA) where: Base-Base interactions energy: -861.908 where: short stacking energy: -356.390 Base-Backbone interact. energy: 2.505 local terms energy: -395.167819 where: bonds (distance) C4'-P energy: -76.239 bonds (distance) P-C4' energy: -82.256 flat angles C4'-P-C4' energy: -88.251 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -88.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1145.687643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.687643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.687643 (E_RNA) where: Base-Base interactions energy: -742.076 where: short stacking energy: -319.991 Base-Backbone interact. energy: -1.489 local terms energy: -402.122480 where: bonds (distance) C4'-P energy: -78.443 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -87.667 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -78.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -682.068025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.068025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.068025 (E_RNA) where: Base-Base interactions energy: -401.057 where: short stacking energy: -224.673 Base-Backbone interact. energy: -1.782 local terms energy: -279.228550 where: bonds (distance) C4'-P energy: -65.464 bonds (distance) P-C4' energy: -86.906 flat angles C4'-P-C4' energy: -77.418 flat angles P-C4'-P energy: -33.506 tors. eta vs tors. theta energy: -15.935 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: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -694.791686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.791686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.791686 (E_RNA) where: Base-Base interactions energy: -415.422 where: short stacking energy: -175.042 Base-Backbone interact. energy: 6.398 local terms energy: -285.768089 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -66.705 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -17.708 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: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1827.094838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.094838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.094838 (E_RNA) where: Base-Base interactions energy: -1272.745 where: short stacking energy: -516.666 Base-Backbone interact. energy: -1.269 local terms energy: -553.081237 where: bonds (distance) C4'-P energy: -95.028 bonds (distance) P-C4' energy: -108.040 flat angles C4'-P-C4' energy: -115.415 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -156.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1745.759008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.759008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.759008 (E_RNA) where: Base-Base interactions energy: -1207.565 where: short stacking energy: -530.395 Base-Backbone interact. energy: -1.121 local terms energy: -537.072621 where: bonds (distance) C4'-P energy: -94.200 bonds (distance) P-C4' energy: -99.311 flat angles C4'-P-C4' energy: -104.782 flat angles P-C4'-P energy: -76.471 tors. eta vs tors. theta energy: -162.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1673.187096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.187096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.187096 (E_RNA) where: Base-Base interactions energy: -1157.171 where: short stacking energy: -513.004 Base-Backbone interact. energy: -3.155 local terms energy: -512.860573 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -95.900 flat angles C4'-P-C4' energy: -110.466 flat angles P-C4'-P energy: -76.256 tors. eta vs tors. theta energy: -145.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1559.049745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.049745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.049745 (E_RNA) where: Base-Base interactions energy: -1091.497 where: short stacking energy: -461.881 Base-Backbone interact. energy: -2.766 local terms energy: -464.786675 where: bonds (distance) C4'-P energy: -99.011 bonds (distance) P-C4' energy: -86.838 flat angles C4'-P-C4' energy: -100.741 flat angles P-C4'-P energy: -57.344 tors. eta vs tors. theta energy: -120.853 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: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1447.515478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.515478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.515478 (E_RNA) where: Base-Base interactions energy: -1005.476 where: short stacking energy: -440.180 Base-Backbone interact. energy: -2.108 local terms energy: -439.931481 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -90.960 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -118.127 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: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1425.874142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.874142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.874142 (E_RNA) where: Base-Base interactions energy: -962.105 where: short stacking energy: -431.727 Base-Backbone interact. energy: 2.157 local terms energy: -465.926475 where: bonds (distance) C4'-P energy: -86.025 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -100.928 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -119.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1297.569116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.569116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.569116 (E_RNA) where: Base-Base interactions energy: -872.802 where: short stacking energy: -361.594 Base-Backbone interact. energy: -1.488 local terms energy: -423.278582 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -88.048 flat angles C4'-P-C4' energy: -102.476 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -92.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1159.639666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.639666 (E_RNA) where: Base-Base interactions energy: -794.437 where: short stacking energy: -349.617 Base-Backbone interact. energy: -5.162 local terms energy: -360.040841 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -73.837 flat angles C4'-P-C4' energy: -83.539 flat angles P-C4'-P energy: -60.130 tors. eta vs tors. theta energy: -77.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -695.039422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.039422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.039422 (E_RNA) where: Base-Base interactions energy: -399.160 where: short stacking energy: -208.276 Base-Backbone interact. energy: -1.148 local terms energy: -294.731158 where: bonds (distance) C4'-P energy: -71.745 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -78.730 flat angles P-C4'-P energy: -38.155 tors. eta vs tors. theta energy: -33.308 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: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -702.956982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.956982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.956982 (E_RNA) where: Base-Base interactions energy: -421.230 where: short stacking energy: -196.335 Base-Backbone interact. energy: -0.077 local terms energy: -281.649895 where: bonds (distance) C4'-P energy: -79.130 bonds (distance) P-C4' energy: -79.510 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -50.535 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1825.927238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.927238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.927238 (E_RNA) where: Base-Base interactions energy: -1295.399 where: short stacking energy: -528.827 Base-Backbone interact. energy: -4.321 local terms energy: -526.207947 where: bonds (distance) C4'-P energy: -89.602 bonds (distance) P-C4' energy: -101.596 flat angles C4'-P-C4' energy: -113.902 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -147.083 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: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1750.335663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.335663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.335663 (E_RNA) where: Base-Base interactions energy: -1202.158 where: short stacking energy: -530.533 Base-Backbone interact. energy: -1.473 local terms energy: -546.704678 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -92.808 flat angles C4'-P-C4' energy: -111.630 flat angles P-C4'-P energy: -88.661 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: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1715.412456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.412456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.412456 (E_RNA) where: Base-Base interactions energy: -1190.349 where: short stacking energy: -522.663 Base-Backbone interact. energy: -2.466 local terms energy: -522.596830 where: bonds (distance) C4'-P energy: -88.365 bonds (distance) P-C4' energy: -93.539 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -72.913 tors. eta vs tors. theta energy: -153.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1547.438421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.438421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.438421 (E_RNA) where: Base-Base interactions energy: -1103.074 where: short stacking energy: -461.456 Base-Backbone interact. energy: -3.608 local terms energy: -440.756481 where: bonds (distance) C4'-P energy: -86.989 bonds (distance) P-C4' energy: -75.089 flat angles C4'-P-C4' energy: -90.600 flat angles P-C4'-P energy: -66.896 tors. eta vs tors. theta energy: -121.183 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: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1473.797288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.797288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.797288 (E_RNA) where: Base-Base interactions energy: -1018.474 where: short stacking energy: -443.183 Base-Backbone interact. energy: -2.249 local terms energy: -453.074377 where: bonds (distance) C4'-P energy: -94.085 bonds (distance) P-C4' energy: -81.190 flat angles C4'-P-C4' energy: -95.697 flat angles P-C4'-P energy: -56.911 tors. eta vs tors. theta energy: -125.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1428.882374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.882374 (E_RNA) where: Base-Base interactions energy: -950.078 where: short stacking energy: -431.352 Base-Backbone interact. energy: 1.284 local terms energy: -480.088065 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -105.063 flat angles C4'-P-C4' energy: -96.188 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -117.043 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: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1289.396967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.396967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.396967 (E_RNA) where: Base-Base interactions energy: -873.781 where: short stacking energy: -388.280 Base-Backbone interact. energy: -1.943 local terms energy: -413.673383 where: bonds (distance) C4'-P energy: -85.102 bonds (distance) P-C4' energy: -90.157 flat angles C4'-P-C4' energy: -91.331 flat angles P-C4'-P energy: -51.574 tors. eta vs tors. theta energy: -95.509 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: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1172.305301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.305301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.305301 (E_RNA) where: Base-Base interactions energy: -756.950 where: short stacking energy: -331.735 Base-Backbone interact. energy: -0.925 local terms energy: -414.430966 where: bonds (distance) C4'-P energy: -90.964 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -93.483 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -86.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -712.526005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.526005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.526005 (E_RNA) where: Base-Base interactions energy: -407.866 where: short stacking energy: -220.308 Base-Backbone interact. energy: 1.366 local terms energy: -306.026134 where: bonds (distance) C4'-P energy: -81.455 bonds (distance) P-C4' energy: -94.746 flat angles C4'-P-C4' energy: -73.698 flat angles P-C4'-P energy: -32.196 tors. eta vs tors. theta energy: -23.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -724.296854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.296854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.296854 (E_RNA) where: Base-Base interactions energy: -419.028 where: short stacking energy: -207.033 Base-Backbone interact. energy: 0.755 local terms energy: -306.024178 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -79.885 flat angles C4'-P-C4' energy: -71.822 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -26.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1804.616799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.616799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.616799 (E_RNA) where: Base-Base interactions energy: -1264.653 where: short stacking energy: -520.698 Base-Backbone interact. energy: 1.495 local terms energy: -541.458441 where: bonds (distance) C4'-P energy: -90.632 bonds (distance) P-C4' energy: -103.990 flat angles C4'-P-C4' energy: -118.916 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -143.425 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: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1756.555884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.555884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.555884 (E_RNA) where: Base-Base interactions energy: -1222.483 where: short stacking energy: -559.263 Base-Backbone interact. energy: -0.856 local terms energy: -533.217582 where: bonds (distance) C4'-P energy: -89.036 bonds (distance) P-C4' energy: -91.637 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -75.572 tors. eta vs tors. theta energy: -167.544 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: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1670.879557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.879557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.879557 (E_RNA) where: Base-Base interactions energy: -1147.122 where: short stacking energy: -514.121 Base-Backbone interact. energy: -1.716 local terms energy: -522.041591 where: bonds (distance) C4'-P energy: -99.834 bonds (distance) P-C4' energy: -97.824 flat angles C4'-P-C4' energy: -104.932 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -147.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1548.953595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.953595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.953595 (E_RNA) where: Base-Base interactions energy: -1109.007 where: short stacking energy: -422.664 Base-Backbone interact. energy: -1.544 local terms energy: -438.402769 where: bonds (distance) C4'-P energy: -71.476 bonds (distance) P-C4' energy: -94.738 flat angles C4'-P-C4' energy: -98.958 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -114.392 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: 462 Temperature: 1.100000 Total energy: -1470.080020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.080020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.080020 (E_RNA) where: Base-Base interactions energy: -1004.498 where: short stacking energy: -435.729 Base-Backbone interact. energy: -1.627 local terms energy: -463.955219 where: bonds (distance) C4'-P energy: -77.294 bonds (distance) P-C4' energy: -93.845 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -122.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1438.815848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.815848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.815848 (E_RNA) where: Base-Base interactions energy: -994.363 where: short stacking energy: -437.609 Base-Backbone interact. energy: -1.222 local terms energy: -443.230892 where: bonds (distance) C4'-P energy: -92.770 bonds (distance) P-C4' energy: -72.336 flat angles C4'-P-C4' energy: -92.383 flat angles P-C4'-P energy: -59.656 tors. eta vs tors. theta energy: -126.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1302.086325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.086325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.086325 (E_RNA) where: Base-Base interactions energy: -889.315 where: short stacking energy: -395.715 Base-Backbone interact. energy: 1.697 local terms energy: -414.468229 where: bonds (distance) C4'-P energy: -85.969 bonds (distance) P-C4' energy: -81.198 flat angles C4'-P-C4' energy: -89.319 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -95.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1127.844978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.844978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.844978 (E_RNA) where: Base-Base interactions energy: -772.501 where: short stacking energy: -348.175 Base-Backbone interact. energy: 1.321 local terms energy: -356.664923 where: bonds (distance) C4'-P energy: -87.349 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -88.874 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -84.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -688.061983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.061983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.061983 (E_RNA) where: Base-Base interactions energy: -384.706 where: short stacking energy: -203.149 Base-Backbone interact. energy: -1.908 local terms energy: -301.447862 where: bonds (distance) C4'-P energy: -74.146 bonds (distance) P-C4' energy: -93.840 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -22.797 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: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -712.324737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.324737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.324737 (E_RNA) where: Base-Base interactions energy: -431.752 where: short stacking energy: -205.992 Base-Backbone interact. energy: 0.948 local terms energy: -281.520579 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -76.145 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -50.130 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: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1812.463859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.463859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.463859 (E_RNA) where: Base-Base interactions energy: -1292.186 where: short stacking energy: -538.128 Base-Backbone interact. energy: 0.126 local terms energy: -520.404134 where: bonds (distance) C4'-P energy: -94.171 bonds (distance) P-C4' energy: -83.930 flat angles C4'-P-C4' energy: -114.553 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -149.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1764.662364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.662364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.662364 (E_RNA) where: Base-Base interactions energy: -1227.436 where: short stacking energy: -536.843 Base-Backbone interact. energy: 2.308 local terms energy: -539.534896 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -104.049 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -161.610 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1644.408898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.408898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.408898 (E_RNA) where: Base-Base interactions energy: -1141.472 where: short stacking energy: -505.756 Base-Backbone interact. energy: -2.220 local terms energy: -500.716363 where: bonds (distance) C4'-P energy: -89.844 bonds (distance) P-C4' energy: -96.142 flat angles C4'-P-C4' energy: -112.072 flat angles P-C4'-P energy: -60.259 tors. eta vs tors. theta energy: -142.399 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: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1584.154957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.154957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.154957 (E_RNA) where: Base-Base interactions energy: -1114.131 where: short stacking energy: -438.197 Base-Backbone interact. energy: -4.259 local terms energy: -465.764898 where: bonds (distance) C4'-P energy: -93.525 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -102.246 flat angles P-C4'-P energy: -59.710 tors. eta vs tors. theta energy: -122.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1508.700469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.700469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.700469 (E_RNA) where: Base-Base interactions energy: -1041.190 where: short stacking energy: -418.259 Base-Backbone interact. energy: 0.675 local terms energy: -468.185221 where: bonds (distance) C4'-P energy: -94.116 bonds (distance) P-C4' energy: -90.520 flat angles C4'-P-C4' energy: -97.931 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -122.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1497.689517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.689517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.689517 (E_RNA) where: Base-Base interactions energy: -1045.914 where: short stacking energy: -440.947 Base-Backbone interact. energy: 0.987 local terms energy: -452.762544 where: bonds (distance) C4'-P energy: -81.967 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -126.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1310.305283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.305283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.305283 (E_RNA) where: Base-Base interactions energy: -891.807 where: short stacking energy: -364.848 Base-Backbone interact. energy: -0.334 local terms energy: -418.164154 where: bonds (distance) C4'-P energy: -70.671 bonds (distance) P-C4' energy: -86.871 flat angles C4'-P-C4' energy: -88.982 flat angles P-C4'-P energy: -79.508 tors. eta vs tors. theta energy: -92.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1140.364393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.364393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.364393 (E_RNA) where: Base-Base interactions energy: -772.415 where: short stacking energy: -331.565 Base-Backbone interact. energy: -2.971 local terms energy: -364.979258 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -73.134 flat angles C4'-P-C4' energy: -83.868 flat angles P-C4'-P energy: -33.940 tors. eta vs tors. theta energy: -80.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -724.753557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.753557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.753557 (E_RNA) where: Base-Base interactions energy: -401.420 where: short stacking energy: -197.728 Base-Backbone interact. energy: 0.797 local terms energy: -324.130962 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -75.873 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -45.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -713.504876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.504876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.504876 (E_RNA) where: Base-Base interactions energy: -425.504 where: short stacking energy: -214.687 Base-Backbone interact. energy: -1.692 local terms energy: -286.308711 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -53.431 flat angles C4'-P-C4' energy: -80.567 flat angles P-C4'-P energy: -52.284 tors. eta vs tors. theta energy: -31.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1809.474920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.474920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.474920 (E_RNA) where: Base-Base interactions energy: -1290.190 where: short stacking energy: -536.340 Base-Backbone interact. energy: -2.190 local terms energy: -517.094855 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -104.088 flat angles C4'-P-C4' energy: -108.797 flat angles P-C4'-P energy: -64.731 tors. eta vs tors. theta energy: -147.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1787.116644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.116644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.116644 (E_RNA) where: Base-Base interactions energy: -1250.914 where: short stacking energy: -531.307 Base-Backbone interact. energy: -1.625 local terms energy: -534.577612 where: bonds (distance) C4'-P energy: -87.566 bonds (distance) P-C4' energy: -96.148 flat angles C4'-P-C4' energy: -113.733 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: -166.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1634.169923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.169923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.169923 (E_RNA) where: Base-Base interactions energy: -1155.428 where: short stacking energy: -509.050 Base-Backbone interact. energy: -0.550 local terms energy: -478.192131 where: bonds (distance) C4'-P energy: -80.403 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -106.969 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -142.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1585.645652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.645652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.645652 (E_RNA) where: Base-Base interactions energy: -1126.848 where: short stacking energy: -449.183 Base-Backbone interact. energy: -0.682 local terms energy: -458.115804 where: bonds (distance) C4'-P energy: -91.910 bonds (distance) P-C4' energy: -92.181 flat angles C4'-P-C4' energy: -96.539 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -116.893 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1555.694704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.694704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.694704 (E_RNA) where: Base-Base interactions energy: -1072.954 where: short stacking energy: -448.438 Base-Backbone interact. energy: -2.086 local terms energy: -480.654418 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -94.161 flat angles C4'-P-C4' energy: -108.275 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -122.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1497.299089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.299089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.299089 (E_RNA) where: Base-Base interactions energy: -1029.581 where: short stacking energy: -469.473 Base-Backbone interact. energy: -1.904 local terms energy: -465.813898 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -82.119 flat angles C4'-P-C4' energy: -93.030 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -140.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1327.787149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.787149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.787149 (E_RNA) where: Base-Base interactions energy: -919.754 where: short stacking energy: -397.177 Base-Backbone interact. energy: -1.567 local terms energy: -406.466202 where: bonds (distance) C4'-P energy: -78.083 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: -94.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1125.240462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.240462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.240462 (E_RNA) where: Base-Base interactions energy: -739.546 where: short stacking energy: -321.508 Base-Backbone interact. energy: 2.491 local terms energy: -388.184956 where: bonds (distance) C4'-P energy: -87.632 bonds (distance) P-C4' energy: -85.200 flat angles C4'-P-C4' energy: -85.055 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -78.777 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -733.393338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.393338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.393338 (E_RNA) where: Base-Base interactions energy: -418.729 where: short stacking energy: -225.885 Base-Backbone interact. energy: 0.094 local terms energy: -314.758161 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -95.920 flat angles C4'-P-C4' energy: -83.504 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: -28.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -705.307954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.307954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.307954 (E_RNA) where: Base-Base interactions energy: -412.149 where: short stacking energy: -212.011 Base-Backbone interact. energy: 1.351 local terms energy: -294.510111 where: bonds (distance) C4'-P energy: -62.641 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -79.814 flat angles P-C4'-P energy: -48.312 tors. eta vs tors. theta energy: -18.215 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: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1835.288929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.288929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.288929 (E_RNA) where: Base-Base interactions energy: -1299.373 where: short stacking energy: -544.050 Base-Backbone interact. energy: -3.999 local terms energy: -531.917086 where: bonds (distance) C4'-P energy: -92.668 bonds (distance) P-C4' energy: -97.685 flat angles C4'-P-C4' energy: -117.421 flat angles P-C4'-P energy: -73.096 tors. eta vs tors. theta energy: -151.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1781.102893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.102893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.102893 (E_RNA) where: Base-Base interactions energy: -1258.986 where: short stacking energy: -540.765 Base-Backbone interact. energy: -0.785 local terms energy: -521.331972 where: bonds (distance) C4'-P energy: -85.926 bonds (distance) P-C4' energy: -89.723 flat angles C4'-P-C4' energy: -109.658 flat angles P-C4'-P energy: -74.462 tors. eta vs tors. theta energy: -161.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1639.206750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.206750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.206750 (E_RNA) where: Base-Base interactions energy: -1137.775 where: short stacking energy: -521.554 Base-Backbone interact. energy: -1.441 local terms energy: -499.990403 where: bonds (distance) C4'-P energy: -104.760 bonds (distance) P-C4' energy: -77.192 flat angles C4'-P-C4' energy: -108.304 flat angles P-C4'-P energy: -59.444 tors. eta vs tors. theta energy: -150.290 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: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1580.581029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.581029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.581029 (E_RNA) where: Base-Base interactions energy: -1110.086 where: short stacking energy: -468.935 Base-Backbone interact. energy: -5.142 local terms energy: -465.352645 where: bonds (distance) C4'-P energy: -90.928 bonds (distance) P-C4' energy: -78.183 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -60.574 tors. eta vs tors. theta energy: -126.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1557.491257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.491257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.491257 (E_RNA) where: Base-Base interactions energy: -1087.022 where: short stacking energy: -468.141 Base-Backbone interact. energy: -0.644 local terms energy: -469.825087 where: bonds (distance) C4'-P energy: -84.661 bonds (distance) P-C4' energy: -79.707 flat angles C4'-P-C4' energy: -108.290 flat angles P-C4'-P energy: -60.187 tors. eta vs tors. theta energy: -136.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1463.586951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.586951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.586951 (E_RNA) where: Base-Base interactions energy: -992.843 where: short stacking energy: -430.720 Base-Backbone interact. energy: -2.430 local terms energy: -468.313538 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -82.765 flat angles C4'-P-C4' energy: -105.485 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -124.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1336.642595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.642595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.642595 (E_RNA) where: Base-Base interactions energy: -917.099 where: short stacking energy: -396.331 Base-Backbone interact. energy: 0.587 local terms energy: -420.130952 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -85.340 flat angles C4'-P-C4' energy: -100.225 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -104.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1146.907923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.907923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.907923 (E_RNA) where: Base-Base interactions energy: -757.440 where: short stacking energy: -347.083 Base-Backbone interact. energy: 3.718 local terms energy: -393.185525 where: bonds (distance) C4'-P energy: -79.050 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -80.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -735.031566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.031566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.031566 (E_RNA) where: Base-Base interactions energy: -421.028 where: short stacking energy: -183.906 Base-Backbone interact. energy: -2.406 local terms energy: -311.596934 where: bonds (distance) C4'-P energy: -79.288 bonds (distance) P-C4' energy: -94.449 flat angles C4'-P-C4' energy: -83.336 flat angles P-C4'-P energy: -36.852 tors. eta vs tors. theta energy: -17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -663.412371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.412371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.412371 (E_RNA) where: Base-Base interactions energy: -365.668 where: short stacking energy: -168.343 Base-Backbone interact. energy: -1.065 local terms energy: -296.679264 where: bonds (distance) C4'-P energy: -87.013 bonds (distance) P-C4' energy: -76.835 flat angles C4'-P-C4' energy: -89.882 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1826.153496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.153496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.153496 (E_RNA) where: Base-Base interactions energy: -1306.674 where: short stacking energy: -533.509 Base-Backbone interact. energy: -3.246 local terms energy: -516.233189 where: bonds (distance) C4'-P energy: -85.558 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -109.241 flat angles P-C4'-P energy: -72.275 tors. eta vs tors. theta energy: -146.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1728.822735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.822735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.822735 (E_RNA) where: Base-Base interactions energy: -1205.436 where: short stacking energy: -523.136 Base-Backbone interact. energy: -2.340 local terms energy: -521.047217 where: bonds (distance) C4'-P energy: -93.241 bonds (distance) P-C4' energy: -96.240 flat angles C4'-P-C4' energy: -107.339 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: -150.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1656.915230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.915230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.915230 (E_RNA) where: Base-Base interactions energy: -1144.770 where: short stacking energy: -515.678 Base-Backbone interact. energy: -3.862 local terms energy: -508.283146 where: bonds (distance) C4'-P energy: -80.282 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -113.115 flat angles P-C4'-P energy: -71.112 tors. eta vs tors. theta energy: -152.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1557.039986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.039986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.039986 (E_RNA) where: Base-Base interactions energy: -1087.881 where: short stacking energy: -425.977 Base-Backbone interact. energy: -5.309 local terms energy: -463.850605 where: bonds (distance) C4'-P energy: -88.200 bonds (distance) P-C4' energy: -96.099 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -124.091 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: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1509.523350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.523350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.523350 (E_RNA) where: Base-Base interactions energy: -1038.559 where: short stacking energy: -444.496 Base-Backbone interact. energy: -3.065 local terms energy: -467.899929 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -80.890 flat angles C4'-P-C4' energy: -103.653 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1454.995715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.995715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.995715 (E_RNA) where: Base-Base interactions energy: -995.581 where: short stacking energy: -436.477 Base-Backbone interact. energy: -0.152 local terms energy: -459.262842 where: bonds (distance) C4'-P energy: -83.970 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -95.346 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -115.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1314.094333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.094333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.094333 (E_RNA) where: Base-Base interactions energy: -899.051 where: short stacking energy: -391.501 Base-Backbone interact. energy: 1.401 local terms energy: -416.444290 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -94.388 flat angles C4'-P-C4' energy: -93.217 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -98.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1081.385651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.385651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.385651 (E_RNA) where: Base-Base interactions energy: -733.219 where: short stacking energy: -335.022 Base-Backbone interact. energy: 7.466 local terms energy: -355.631867 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -88.076 flat angles C4'-P-C4' energy: -84.653 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -61.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -730.965251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.965251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.965251 (E_RNA) where: Base-Base interactions energy: -434.580 where: short stacking energy: -211.817 Base-Backbone interact. energy: 0.592 local terms energy: -296.977901 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -88.605 flat angles C4'-P-C4' energy: -59.688 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -18.699 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: 466 Temperature: 1.350000 Total energy: -687.824924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.824924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.824924 (E_RNA) where: Base-Base interactions energy: -417.494 where: short stacking energy: -208.218 Base-Backbone interact. energy: 4.703 local terms energy: -275.033637 where: bonds (distance) C4'-P energy: -68.642 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -72.826 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1829.985267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.985267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.985267 (E_RNA) where: Base-Base interactions energy: -1285.741 where: short stacking energy: -532.499 Base-Backbone interact. energy: -2.860 local terms energy: -541.384719 where: bonds (distance) C4'-P energy: -104.211 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -114.433 flat angles P-C4'-P energy: -68.456 tors. eta vs tors. theta energy: -156.811 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: 467 Temperature: 0.950000 Total energy: -1721.402006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.402006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.402006 (E_RNA) where: Base-Base interactions energy: -1199.812 where: short stacking energy: -527.075 Base-Backbone interact. energy: -0.116 local terms energy: -521.473296 where: bonds (distance) C4'-P energy: -99.055 bonds (distance) P-C4' energy: -93.561 flat angles C4'-P-C4' energy: -109.021 flat angles P-C4'-P energy: -69.793 tors. eta vs tors. theta energy: -150.044 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: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1677.703021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.703021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.703021 (E_RNA) where: Base-Base interactions energy: -1163.627 where: short stacking energy: -514.940 Base-Backbone interact. energy: -1.715 local terms energy: -512.360154 where: bonds (distance) C4'-P energy: -81.854 bonds (distance) P-C4' energy: -95.529 flat angles C4'-P-C4' energy: -102.738 flat angles P-C4'-P energy: -74.785 tors. eta vs tors. theta energy: -157.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1576.968071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.968071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.968071 (E_RNA) where: Base-Base interactions energy: -1096.180 where: short stacking energy: -456.552 Base-Backbone interact. energy: -3.322 local terms energy: -477.465572 where: bonds (distance) C4'-P energy: -95.577 bonds (distance) P-C4' energy: -82.343 flat angles C4'-P-C4' energy: -99.954 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -131.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1455.031531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.031531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.031531 (E_RNA) where: Base-Base interactions energy: -1010.465 where: short stacking energy: -424.693 Base-Backbone interact. energy: -0.740 local terms energy: -443.826864 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -88.535 flat angles C4'-P-C4' energy: -108.338 flat angles P-C4'-P energy: -57.501 tors. eta vs tors. theta energy: -106.433 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: 467 Temperature: 1.150000 Total energy: -1452.946317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.946317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.946317 (E_RNA) where: Base-Base interactions energy: -989.329 where: short stacking energy: -429.299 Base-Backbone interact. energy: -1.764 local terms energy: -461.854249 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -92.008 flat angles C4'-P-C4' energy: -91.015 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: -121.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1286.257825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.257825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.257825 (E_RNA) where: Base-Base interactions energy: -885.725 where: short stacking energy: -395.536 Base-Backbone interact. energy: -0.909 local terms energy: -399.623545 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -88.545 flat angles C4'-P-C4' energy: -86.255 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -100.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1093.123924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.123924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.123924 (E_RNA) where: Base-Base interactions energy: -749.698 where: short stacking energy: -322.032 Base-Backbone interact. energy: -1.537 local terms energy: -341.888856 where: bonds (distance) C4'-P energy: -69.422 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -71.977 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -68.338 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: 467 Temperature: 1.300000 Total energy: -701.779342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.779342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.779342 (E_RNA) where: Base-Base interactions energy: -380.404 where: short stacking energy: -205.944 Base-Backbone interact. energy: -0.457 local terms energy: -320.918379 where: bonds (distance) C4'-P energy: -74.368 bonds (distance) P-C4' energy: -90.677 flat angles C4'-P-C4' energy: -85.909 flat angles P-C4'-P energy: -45.253 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: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -724.589369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.589369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.589369 (E_RNA) where: Base-Base interactions energy: -422.501 where: short stacking energy: -197.620 Base-Backbone interact. energy: -0.079 local terms energy: -302.008512 where: bonds (distance) C4'-P energy: -78.052 bonds (distance) P-C4' energy: -78.190 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: -24.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1822.082984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.082984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.082984 (E_RNA) where: Base-Base interactions energy: -1319.680 where: short stacking energy: -535.883 Base-Backbone interact. energy: -0.465 local terms energy: -501.938573 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -97.345 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: -149.695 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: 468 Temperature: 0.950000 Total energy: -1734.790535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.790535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.790535 (E_RNA) where: Base-Base interactions energy: -1195.533 where: short stacking energy: -523.300 Base-Backbone interact. energy: 2.424 local terms energy: -541.681492 where: bonds (distance) C4'-P energy: -101.278 bonds (distance) P-C4' energy: -94.216 flat angles C4'-P-C4' energy: -102.746 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -160.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1685.924398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.924398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.924398 (E_RNA) where: Base-Base interactions energy: -1169.462 where: short stacking energy: -521.524 Base-Backbone interact. energy: -2.234 local terms energy: -514.228348 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -96.497 flat angles C4'-P-C4' energy: -109.732 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -152.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1573.973061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.973061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.973061 (E_RNA) where: Base-Base interactions energy: -1080.954 where: short stacking energy: -421.228 Base-Backbone interact. energy: -1.782 local terms energy: -491.236477 where: bonds (distance) C4'-P energy: -92.444 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -127.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1458.787865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.787865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.787865 (E_RNA) where: Base-Base interactions energy: -1004.988 where: short stacking energy: -432.798 Base-Backbone interact. energy: 1.768 local terms energy: -455.567947 where: bonds (distance) C4'-P energy: -85.625 bonds (distance) P-C4' energy: -95.084 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -64.069 tors. eta vs tors. theta energy: -112.050 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: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1421.548722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.548722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.548722 (E_RNA) where: Base-Base interactions energy: -978.104 where: short stacking energy: -397.630 Base-Backbone interact. energy: -4.124 local terms energy: -439.320822 where: bonds (distance) C4'-P energy: -90.687 bonds (distance) P-C4' energy: -87.195 flat angles C4'-P-C4' energy: -107.867 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -106.663 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: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1364.378397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.378397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.378397 (E_RNA) where: Base-Base interactions energy: -929.379 where: short stacking energy: -384.567 Base-Backbone interact. energy: -1.470 local terms energy: -433.528840 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -55.989 tors. eta vs tors. theta energy: -96.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1089.119650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.119650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.119650 (E_RNA) where: Base-Base interactions energy: -722.801 where: short stacking energy: -304.211 Base-Backbone interact. energy: 1.671 local terms energy: -367.989750 where: bonds (distance) C4'-P energy: -86.231 bonds (distance) P-C4' energy: -87.269 flat angles C4'-P-C4' energy: -77.718 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -66.642 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: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -790.535118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.535118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.535118 (E_RNA) where: Base-Base interactions energy: -490.629 where: short stacking energy: -234.118 Base-Backbone interact. energy: 5.786 local terms energy: -305.691680 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -80.546 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -23.003 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: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -689.502702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.502702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.502702 (E_RNA) where: Base-Base interactions energy: -385.797 where: short stacking energy: -195.829 Base-Backbone interact. energy: -4.844 local terms energy: -298.861159 where: bonds (distance) C4'-P energy: -84.376 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -53.149 tors. eta vs tors. theta energy: -16.908 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: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1789.350867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.350867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.350867 (E_RNA) where: Base-Base interactions energy: -1272.122 where: short stacking energy: -501.947 Base-Backbone interact. energy: -2.247 local terms energy: -514.981344 where: bonds (distance) C4'-P energy: -88.376 bonds (distance) P-C4' energy: -111.928 flat angles C4'-P-C4' energy: -110.114 flat angles P-C4'-P energy: -65.133 tors. eta vs tors. theta energy: -139.430 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: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1733.528345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.528345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.528345 (E_RNA) where: Base-Base interactions energy: -1189.349 where: short stacking energy: -530.513 Base-Backbone interact. energy: -2.568 local terms energy: -541.611393 where: bonds (distance) C4'-P energy: -102.793 bonds (distance) P-C4' energy: -97.263 flat angles C4'-P-C4' energy: -114.206 flat angles P-C4'-P energy: -69.101 tors. eta vs tors. theta energy: -158.248 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: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1718.833678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.833678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.833678 (E_RNA) where: Base-Base interactions energy: -1194.232 where: short stacking energy: -526.634 Base-Backbone interact. energy: -1.796 local terms energy: -522.806438 where: bonds (distance) C4'-P energy: -90.248 bonds (distance) P-C4' energy: -97.728 flat angles C4'-P-C4' energy: -107.768 flat angles P-C4'-P energy: -66.940 tors. eta vs tors. theta energy: -160.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1582.526842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.526842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.526842 (E_RNA) where: Base-Base interactions energy: -1136.773 where: short stacking energy: -462.311 Base-Backbone interact. energy: -2.748 local terms energy: -443.006191 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -94.960 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -121.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1442.376089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.376089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.376089 (E_RNA) where: Base-Base interactions energy: -975.292 where: short stacking energy: -414.115 Base-Backbone interact. energy: -2.671 local terms energy: -464.412320 where: bonds (distance) C4'-P energy: -91.545 bonds (distance) P-C4' energy: -71.739 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -79.198 tors. eta vs tors. theta energy: -123.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1408.477544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.477544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.477544 (E_RNA) where: Base-Base interactions energy: -957.940 where: short stacking energy: -442.637 Base-Backbone interact. energy: 4.933 local terms energy: -455.470757 where: bonds (distance) C4'-P energy: -91.834 bonds (distance) P-C4' energy: -80.232 flat angles C4'-P-C4' energy: -103.989 flat angles P-C4'-P energy: -64.942 tors. eta vs tors. theta energy: -114.473 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: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1367.267704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.267704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.267704 (E_RNA) where: Base-Base interactions energy: -948.296 where: short stacking energy: -390.036 Base-Backbone interact. energy: 4.018 local terms energy: -422.990626 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -93.912 flat angles C4'-P-C4' energy: -94.639 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: -100.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1076.889780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.889780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.889780 (E_RNA) where: Base-Base interactions energy: -732.830 where: short stacking energy: -327.862 Base-Backbone interact. energy: -0.091 local terms energy: -343.968745 where: bonds (distance) C4'-P energy: -69.868 bonds (distance) P-C4' energy: -66.987 flat angles C4'-P-C4' energy: -91.614 flat angles P-C4'-P energy: -51.654 tors. eta vs tors. theta energy: -63.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -806.155073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.155073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.155073 (E_RNA) where: Base-Base interactions energy: -478.846 where: short stacking energy: -258.083 Base-Backbone interact. energy: 1.165 local terms energy: -328.474083 where: bonds (distance) C4'-P energy: -70.422 bonds (distance) P-C4' energy: -77.865 flat angles C4'-P-C4' energy: -77.282 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -55.011 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: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -668.697094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.697094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.697094 (E_RNA) where: Base-Base interactions energy: -410.208 where: short stacking energy: -210.329 Base-Backbone interact. energy: -2.017 local terms energy: -256.471741 where: bonds (distance) C4'-P energy: -66.313 bonds (distance) P-C4' energy: -70.399 flat angles C4'-P-C4' energy: -59.995 flat angles P-C4'-P energy: -53.488 tors. eta vs tors. theta energy: -6.277 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: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1790.065552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.065552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.065552 (E_RNA) where: Base-Base interactions energy: -1261.785 where: short stacking energy: -506.359 Base-Backbone interact. energy: -1.177 local terms energy: -527.103371 where: bonds (distance) C4'-P energy: -107.346 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -107.864 flat angles P-C4'-P energy: -73.833 tors. eta vs tors. theta energy: -137.365 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: 2, replica: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1739.565159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.565159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.565159 (E_RNA) where: Base-Base interactions energy: -1220.649 where: short stacking energy: -518.512 Base-Backbone interact. energy: -2.624 local terms energy: -516.292361 where: bonds (distance) C4'-P energy: -82.278 bonds (distance) P-C4' energy: -95.040 flat angles C4'-P-C4' energy: -109.053 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -159.968 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: 470 Temperature: 1.000000 Total energy: -1721.945345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.945345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.945345 (E_RNA) where: Base-Base interactions energy: -1204.822 where: short stacking energy: -520.702 Base-Backbone interact. energy: -1.533 local terms energy: -515.590209 where: bonds (distance) C4'-P energy: -75.325 bonds (distance) P-C4' energy: -91.318 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: -166.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1585.086913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.086913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.086913 (E_RNA) where: Base-Base interactions energy: -1102.208 where: short stacking energy: -445.751 Base-Backbone interact. energy: -2.501 local terms energy: -480.377660 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -94.485 flat angles C4'-P-C4' energy: -99.666 flat angles P-C4'-P energy: -70.168 tors. eta vs tors. theta energy: -126.691 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: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1465.359701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.359701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.359701 (E_RNA) where: Base-Base interactions energy: -983.381 where: short stacking energy: -412.084 Base-Backbone interact. energy: -2.739 local terms energy: -479.239128 where: bonds (distance) C4'-P energy: -96.255 bonds (distance) P-C4' energy: -88.939 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -71.478 tors. eta vs tors. theta energy: -121.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1401.163936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.163936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.163936 (E_RNA) where: Base-Base interactions energy: -967.225 where: short stacking energy: -422.024 Base-Backbone interact. energy: 0.733 local terms energy: -434.672216 where: bonds (distance) C4'-P energy: -74.445 bonds (distance) P-C4' energy: -83.616 flat angles C4'-P-C4' energy: -102.866 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: -115.468 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: 470 Temperature: 1.200000 Total energy: -1388.227383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.227383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.227383 (E_RNA) where: Base-Base interactions energy: -985.202 where: short stacking energy: -397.760 Base-Backbone interact. energy: -2.507 local terms energy: -400.518933 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -72.869 flat angles C4'-P-C4' energy: -104.382 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -107.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1002.111346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.111346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.111346 (E_RNA) where: Base-Base interactions energy: -634.624 where: short stacking energy: -268.983 Base-Backbone interact. energy: -2.202 local terms energy: -365.285512 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -85.694 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -36.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -809.202756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.202756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.202756 (E_RNA) where: Base-Base interactions energy: -472.129 where: short stacking energy: -219.792 Base-Backbone interact. energy: 1.743 local terms energy: -338.817393 where: bonds (distance) C4'-P energy: -97.904 bonds (distance) P-C4' energy: -85.637 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -29.801 tors. eta vs tors. theta energy: -49.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -772.992821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.992821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.992821 (E_RNA) where: Base-Base interactions energy: -489.116 where: short stacking energy: -239.638 Base-Backbone interact. energy: -1.197 local terms energy: -282.679430 where: bonds (distance) C4'-P energy: -72.737 bonds (distance) P-C4' energy: -66.548 flat angles C4'-P-C4' energy: -65.380 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: -39.336 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: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1781.719387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.719387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.719387 (E_RNA) where: Base-Base interactions energy: -1263.738 where: short stacking energy: -512.678 Base-Backbone interact. energy: 0.706 local terms energy: -518.687270 where: bonds (distance) C4'-P energy: -96.543 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -147.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1745.823609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.823609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.823609 (E_RNA) where: Base-Base interactions energy: -1228.358 where: short stacking energy: -542.219 Base-Backbone interact. energy: 1.355 local terms energy: -518.820403 where: bonds (distance) C4'-P energy: -93.372 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -114.785 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -155.261 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: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1706.414087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.414087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.414087 (E_RNA) where: Base-Base interactions energy: -1177.329 where: short stacking energy: -523.965 Base-Backbone interact. energy: -2.421 local terms energy: -526.664907 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -101.304 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -70.275 tors. eta vs tors. theta energy: -153.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1619.332543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.332543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.332543 (E_RNA) where: Base-Base interactions energy: -1150.502 where: short stacking energy: -458.377 Base-Backbone interact. energy: 1.045 local terms energy: -469.875968 where: bonds (distance) C4'-P energy: -95.117 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -95.442 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -123.094 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: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1504.109043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.109043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.109043 (E_RNA) where: Base-Base interactions energy: -1025.081 where: short stacking energy: -471.606 Base-Backbone interact. energy: -2.823 local terms energy: -476.205780 where: bonds (distance) C4'-P energy: -85.406 bonds (distance) P-C4' energy: -79.988 flat angles C4'-P-C4' energy: -104.616 flat angles P-C4'-P energy: -71.796 tors. eta vs tors. theta energy: -134.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1485.304082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.304082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.304082 (E_RNA) where: Base-Base interactions energy: -1024.981 where: short stacking energy: -446.032 Base-Backbone interact. energy: -1.388 local terms energy: -458.934468 where: bonds (distance) C4'-P energy: -81.066 bonds (distance) P-C4' energy: -91.838 flat angles C4'-P-C4' energy: -100.321 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -118.473 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: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1416.558740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.558740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.558740 (E_RNA) where: Base-Base interactions energy: -950.353 where: short stacking energy: -413.613 Base-Backbone interact. energy: -4.151 local terms energy: -462.055488 where: bonds (distance) C4'-P energy: -90.993 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -100.701 flat angles P-C4'-P energy: -73.561 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: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -992.825037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.825037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.825037 (E_RNA) where: Base-Base interactions energy: -642.321 where: short stacking energy: -300.744 Base-Backbone interact. energy: 0.494 local terms energy: -350.997706 where: bonds (distance) C4'-P energy: -82.759 bonds (distance) P-C4' energy: -81.126 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -51.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -809.736449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.736449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.736449 (E_RNA) where: Base-Base interactions energy: -485.043 where: short stacking energy: -250.863 Base-Backbone interact. energy: -2.515 local terms energy: -322.178186 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -72.162 flat angles C4'-P-C4' energy: -86.799 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -34.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -749.188428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.188428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.188428 (E_RNA) where: Base-Base interactions energy: -467.305 where: short stacking energy: -229.708 Base-Backbone interact. energy: 0.631 local terms energy: -282.514473 where: bonds (distance) C4'-P energy: -64.024 bonds (distance) P-C4' energy: -76.273 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -41.041 tors. eta vs tors. theta energy: -33.889 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: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1811.715734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.715734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.715734 (E_RNA) where: Base-Base interactions energy: -1303.931 where: short stacking energy: -534.835 Base-Backbone interact. energy: -1.567 local terms energy: -506.218255 where: bonds (distance) C4'-P energy: -82.860 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -108.624 flat angles P-C4'-P energy: -72.171 tors. eta vs tors. theta energy: -143.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1744.397571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.397571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.397571 (E_RNA) where: Base-Base interactions energy: -1217.180 where: short stacking energy: -537.483 Base-Backbone interact. energy: -0.841 local terms energy: -526.377340 where: bonds (distance) C4'-P energy: -86.437 bonds (distance) P-C4' energy: -95.606 flat angles C4'-P-C4' energy: -103.403 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -161.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1690.165667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.165667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.165667 (E_RNA) where: Base-Base interactions energy: -1150.727 where: short stacking energy: -528.165 Base-Backbone interact. energy: -1.965 local terms energy: -537.474013 where: bonds (distance) C4'-P energy: -101.694 bonds (distance) P-C4' energy: -100.260 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -156.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1595.308282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.308282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.308282 (E_RNA) where: Base-Base interactions energy: -1127.696 where: short stacking energy: -460.519 Base-Backbone interact. energy: -0.422 local terms energy: -467.190071 where: bonds (distance) C4'-P energy: -79.390 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -65.185 tors. eta vs tors. theta energy: -130.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1498.702525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.702525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.702525 (E_RNA) where: Base-Base interactions energy: -1061.114 where: short stacking energy: -455.403 Base-Backbone interact. energy: -0.825 local terms energy: -436.763709 where: bonds (distance) C4'-P energy: -89.887 bonds (distance) P-C4' energy: -81.959 flat angles C4'-P-C4' energy: -102.753 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -120.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1398.102899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.102899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.102899 (E_RNA) where: Base-Base interactions energy: -961.130 where: short stacking energy: -406.695 Base-Backbone interact. energy: 0.580 local terms energy: -437.553205 where: bonds (distance) C4'-P energy: -76.628 bonds (distance) P-C4' energy: -81.456 flat angles C4'-P-C4' energy: -104.476 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -106.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1306.160419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.160419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.160419 (E_RNA) where: Base-Base interactions energy: -888.802 where: short stacking energy: -399.605 Base-Backbone interact. energy: -1.508 local terms energy: -415.850959 where: bonds (distance) C4'-P energy: -82.468 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -89.776 flat angles P-C4'-P energy: -50.458 tors. eta vs tors. theta energy: -106.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -992.593997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.593997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.593997 (E_RNA) where: Base-Base interactions energy: -624.963 where: short stacking energy: -294.239 Base-Backbone interact. energy: 1.485 local terms energy: -369.116220 where: bonds (distance) C4'-P energy: -80.415 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -54.757 tors. eta vs tors. theta energy: -60.097 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: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -808.671337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.671337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.671337 (E_RNA) where: Base-Base interactions energy: -514.340 where: short stacking energy: -237.867 Base-Backbone interact. energy: -0.605 local terms energy: -293.727026 where: bonds (distance) C4'-P energy: -78.530 bonds (distance) P-C4' energy: -83.894 flat angles C4'-P-C4' energy: -64.689 flat angles P-C4'-P energy: -44.019 tors. eta vs tors. theta energy: -22.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -804.063615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.063615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.063615 (E_RNA) where: Base-Base interactions energy: -502.875 where: short stacking energy: -252.653 Base-Backbone interact. energy: -1.060 local terms energy: -300.128752 where: bonds (distance) C4'-P energy: -79.975 bonds (distance) P-C4' energy: -52.403 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -47.619 tors. eta vs tors. theta energy: -43.329 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: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1824.662626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.662626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.662626 (E_RNA) where: Base-Base interactions energy: -1298.176 where: short stacking energy: -557.311 Base-Backbone interact. energy: 0.627 local terms energy: -527.113136 where: bonds (distance) C4'-P energy: -96.651 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -106.578 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: -152.972 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: 473 Temperature: 0.950000 Total energy: -1739.855792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.855792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.855792 (E_RNA) where: Base-Base interactions energy: -1208.445 where: short stacking energy: -532.172 Base-Backbone interact. energy: -0.725 local terms energy: -530.685300 where: bonds (distance) C4'-P energy: -97.613 bonds (distance) P-C4' energy: -87.056 flat angles C4'-P-C4' energy: -109.879 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -158.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1684.056985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.056985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.056985 (E_RNA) where: Base-Base interactions energy: -1159.992 where: short stacking energy: -495.310 Base-Backbone interact. energy: 1.623 local terms energy: -525.688443 where: bonds (distance) C4'-P energy: -97.303 bonds (distance) P-C4' energy: -104.915 flat angles C4'-P-C4' energy: -103.291 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -151.655 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: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1557.018613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.018613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.018613 (E_RNA) where: Base-Base interactions energy: -1075.894 where: short stacking energy: -437.427 Base-Backbone interact. energy: -0.049 local terms energy: -481.076025 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -57.624 tors. eta vs tors. theta energy: -123.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1497.906895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.906895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.906895 (E_RNA) where: Base-Base interactions energy: -1046.962 where: short stacking energy: -439.928 Base-Backbone interact. energy: -3.064 local terms energy: -447.880161 where: bonds (distance) C4'-P energy: -87.759 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -103.179 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: -122.462 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: 473 Temperature: 1.150000 Total energy: -1405.884498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.884498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.884498 (E_RNA) where: Base-Base interactions energy: -979.231 where: short stacking energy: -428.671 Base-Backbone interact. energy: -0.136 local terms energy: -426.517862 where: bonds (distance) C4'-P energy: -98.604 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -80.868 flat angles P-C4'-P energy: -58.963 tors. eta vs tors. theta energy: -104.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1307.452710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.452710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.452710 (E_RNA) where: Base-Base interactions energy: -906.166 where: short stacking energy: -389.856 Base-Backbone interact. energy: 0.207 local terms energy: -401.493087 where: bonds (distance) C4'-P energy: -81.421 bonds (distance) P-C4' energy: -83.916 flat angles C4'-P-C4' energy: -94.127 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -90.596 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: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -977.320666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.320666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.320666 (E_RNA) where: Base-Base interactions energy: -669.342 where: short stacking energy: -298.596 Base-Backbone interact. energy: 5.368 local terms energy: -313.346024 where: bonds (distance) C4'-P energy: -82.434 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -47.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -815.940137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.940137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.940137 (E_RNA) where: Base-Base interactions energy: -483.235 where: short stacking energy: -243.010 Base-Backbone interact. energy: 4.016 local terms energy: -336.720737 where: bonds (distance) C4'-P energy: -80.385 bonds (distance) P-C4' energy: -89.714 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -42.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -719.718620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.718620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.718620 (E_RNA) where: Base-Base interactions energy: -409.855 where: short stacking energy: -194.371 Base-Backbone interact. energy: 1.126 local terms energy: -310.989460 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -78.149 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -27.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1811.226735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.226735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.226735 (E_RNA) where: Base-Base interactions energy: -1275.640 where: short stacking energy: -518.360 Base-Backbone interact. energy: -1.970 local terms energy: -533.616119 where: bonds (distance) C4'-P energy: -102.649 bonds (distance) P-C4' energy: -95.550 flat angles C4'-P-C4' energy: -115.164 flat angles P-C4'-P energy: -74.321 tors. eta vs tors. theta energy: -145.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1736.725788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.725788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.725788 (E_RNA) where: Base-Base interactions energy: -1207.689 where: short stacking energy: -540.321 Base-Backbone interact. energy: 1.441 local terms energy: -530.478526 where: bonds (distance) C4'-P energy: -97.941 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -109.640 flat angles P-C4'-P energy: -73.308 tors. eta vs tors. theta energy: -154.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1691.792497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.792497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.792497 (E_RNA) where: Base-Base interactions energy: -1190.161 where: short stacking energy: -522.528 Base-Backbone interact. energy: -2.240 local terms energy: -499.391971 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -88.765 flat angles C4'-P-C4' energy: -107.367 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -144.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1572.013987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.013987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.013987 (E_RNA) where: Base-Base interactions energy: -1103.851 where: short stacking energy: -450.504 Base-Backbone interact. energy: 0.305 local terms energy: -468.467228 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -89.523 flat angles C4'-P-C4' energy: -105.463 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -121.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1517.589815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.589815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.589815 (E_RNA) where: Base-Base interactions energy: -1030.176 where: short stacking energy: -428.321 Base-Backbone interact. energy: -0.645 local terms energy: -486.768680 where: bonds (distance) C4'-P energy: -92.313 bonds (distance) P-C4' energy: -95.296 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: -119.940 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: 474 Temperature: 1.150000 Total energy: -1366.903940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.903940 (E_RNA) where: Base-Base interactions energy: -930.844 where: short stacking energy: -380.959 Base-Backbone interact. energy: -1.647 local terms energy: -434.413590 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -93.227 flat angles C4'-P-C4' energy: -102.333 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -106.652 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: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1340.488046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.488046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.488046 (E_RNA) where: Base-Base interactions energy: -911.200 where: short stacking energy: -415.596 Base-Backbone interact. energy: 1.902 local terms energy: -431.190350 where: bonds (distance) C4'-P energy: -84.921 bonds (distance) P-C4' energy: -91.128 flat angles C4'-P-C4' energy: -92.498 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -106.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -995.955894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.955894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.955894 (E_RNA) where: Base-Base interactions energy: -665.258 where: short stacking energy: -275.867 Base-Backbone interact. energy: 10.494 local terms energy: -341.191616 where: bonds (distance) C4'-P energy: -73.185 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -89.598 flat angles P-C4'-P energy: -44.019 tors. eta vs tors. theta energy: -39.395 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: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -815.101815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.101815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.101815 (E_RNA) where: Base-Base interactions energy: -473.545 where: short stacking energy: -240.797 Base-Backbone interact. energy: -1.215 local terms energy: -340.342107 where: bonds (distance) C4'-P energy: -79.222 bonds (distance) P-C4' energy: -76.114 flat angles C4'-P-C4' energy: -88.989 flat angles P-C4'-P energy: -58.078 tors. eta vs tors. theta energy: -37.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -759.269574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.269574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.269574 (E_RNA) where: Base-Base interactions energy: -469.841 where: short stacking energy: -230.061 Base-Backbone interact. energy: -0.983 local terms energy: -288.445983 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -68.830 flat angles C4'-P-C4' energy: -68.284 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -39.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1807.431906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.431906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.431906 (E_RNA) where: Base-Base interactions energy: -1286.628 where: short stacking energy: -538.160 Base-Backbone interact. energy: -0.098 local terms energy: -520.705306 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -106.991 flat angles P-C4'-P energy: -74.276 tors. eta vs tors. theta energy: -152.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1716.899141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.899141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.899141 (E_RNA) where: Base-Base interactions energy: -1175.659 where: short stacking energy: -511.654 Base-Backbone interact. energy: -4.431 local terms energy: -536.809883 where: bonds (distance) C4'-P energy: -102.710 bonds (distance) P-C4' energy: -98.637 flat angles C4'-P-C4' energy: -115.342 flat angles P-C4'-P energy: -72.347 tors. eta vs tors. theta energy: -147.774 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: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1713.451949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.451949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.451949 (E_RNA) where: Base-Base interactions energy: -1170.833 where: short stacking energy: -502.504 Base-Backbone interact. energy: -1.267 local terms energy: -541.351905 where: bonds (distance) C4'-P energy: -108.313 bonds (distance) P-C4' energy: -96.346 flat angles C4'-P-C4' energy: -109.628 flat angles P-C4'-P energy: -68.140 tors. eta vs tors. theta energy: -158.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1549.701096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.701096 (E_RNA) where: Base-Base interactions energy: -1077.580 where: short stacking energy: -441.946 Base-Backbone interact. energy: -1.229 local terms energy: -470.892064 where: bonds (distance) C4'-P energy: -94.557 bonds (distance) P-C4' energy: -95.123 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -118.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1543.011376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.011376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.011376 (E_RNA) where: Base-Base interactions energy: -1071.522 where: short stacking energy: -444.143 Base-Backbone interact. energy: -1.542 local terms energy: -469.947279 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -91.751 flat angles C4'-P-C4' energy: -107.901 flat angles P-C4'-P energy: -63.022 tors. eta vs tors. theta energy: -118.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1374.429227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.429227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.429227 (E_RNA) where: Base-Base interactions energy: -948.979 where: short stacking energy: -391.416 Base-Backbone interact. energy: -0.359 local terms energy: -425.090660 where: bonds (distance) C4'-P energy: -86.973 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -99.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1321.063970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.063970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.063970 (E_RNA) where: Base-Base interactions energy: -888.338 where: short stacking energy: -404.338 Base-Backbone interact. energy: 3.705 local terms energy: -436.431627 where: bonds (distance) C4'-P energy: -87.512 bonds (distance) P-C4' energy: -92.389 flat angles C4'-P-C4' energy: -97.780 flat angles P-C4'-P energy: -54.459 tors. eta vs tors. theta energy: -104.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1141.901136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.901136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.901136 (E_RNA) where: Base-Base interactions energy: -743.985 where: short stacking energy: -331.136 Base-Backbone interact. energy: 1.248 local terms energy: -399.164149 where: bonds (distance) C4'-P energy: -77.769 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -94.058 flat angles P-C4'-P energy: -49.819 tors. eta vs tors. theta energy: -87.512 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: 475 Temperature: 1.300000 Total energy: -792.102244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.102244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.102244 (E_RNA) where: Base-Base interactions energy: -466.153 where: short stacking energy: -238.706 Base-Backbone interact. energy: 1.405 local terms energy: -327.353437 where: bonds (distance) C4'-P energy: -75.662 bonds (distance) P-C4' energy: -80.361 flat angles C4'-P-C4' energy: -77.657 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -42.721 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: 475 Temperature: 1.350000 Total energy: -797.535765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.535765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.535765 (E_RNA) where: Base-Base interactions energy: -475.766 where: short stacking energy: -217.958 Base-Backbone interact. energy: -0.561 local terms energy: -321.209027 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -86.808 flat angles P-C4'-P energy: -42.164 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: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1804.157985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.157985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.157985 (E_RNA) where: Base-Base interactions energy: -1256.591 where: short stacking energy: -514.212 Base-Backbone interact. energy: -1.220 local terms energy: -546.346841 where: bonds (distance) C4'-P energy: -96.655 bonds (distance) P-C4' energy: -111.566 flat angles C4'-P-C4' energy: -110.931 flat angles P-C4'-P energy: -80.658 tors. eta vs tors. theta energy: -146.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1728.536072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.536072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.536072 (E_RNA) where: Base-Base interactions energy: -1202.631 where: short stacking energy: -528.082 Base-Backbone interact. energy: -2.268 local terms energy: -523.637611 where: bonds (distance) C4'-P energy: -93.969 bonds (distance) P-C4' energy: -99.676 flat angles C4'-P-C4' energy: -111.658 flat angles P-C4'-P energy: -66.881 tors. eta vs tors. theta energy: -151.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1720.006500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.006500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.006500 (E_RNA) where: Base-Base interactions energy: -1189.347 where: short stacking energy: -537.010 Base-Backbone interact. energy: 0.004 local terms energy: -530.662836 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -92.824 flat angles C4'-P-C4' energy: -114.172 flat angles P-C4'-P energy: -78.456 tors. eta vs tors. theta energy: -153.711 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: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1546.924469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.924469 (E_RNA) where: Base-Base interactions energy: -1068.199 where: short stacking energy: -457.414 Base-Backbone interact. energy: -1.736 local terms energy: -476.989737 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -107.710 flat angles P-C4'-P energy: -76.945 tors. eta vs tors. theta energy: -129.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1553.172317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.172317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.172317 (E_RNA) where: Base-Base interactions energy: -1094.304 where: short stacking energy: -439.872 Base-Backbone interact. energy: -2.124 local terms energy: -456.744450 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -90.509 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -58.714 tors. eta vs tors. theta energy: -117.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1356.510838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.510838 (E_RNA) where: Base-Base interactions energy: -927.223 where: short stacking energy: -406.604 Base-Backbone interact. energy: -2.153 local terms energy: -427.134574 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -84.873 flat angles C4'-P-C4' energy: -98.016 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -103.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1281.245999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.245999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.245999 (E_RNA) where: Base-Base interactions energy: -866.044 where: short stacking energy: -386.187 Base-Backbone interact. energy: -2.662 local terms energy: -412.539606 where: bonds (distance) C4'-P energy: -81.526 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -94.457 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -89.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1155.960300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.960300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.960300 (E_RNA) where: Base-Base interactions energy: -757.721 where: short stacking energy: -323.673 Base-Backbone interact. energy: -0.798 local terms energy: -397.441251 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -99.457 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -82.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -782.396644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.396644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.396644 (E_RNA) where: Base-Base interactions energy: -462.975 where: short stacking energy: -229.406 Base-Backbone interact. energy: -1.548 local terms energy: -317.873355 where: bonds (distance) C4'-P energy: -74.049 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -88.123 flat angles P-C4'-P energy: -33.776 tors. eta vs tors. theta energy: -45.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -781.972597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.972597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.972597 (E_RNA) where: Base-Base interactions energy: -463.828 where: short stacking energy: -233.201 Base-Backbone interact. energy: 2.127 local terms energy: -320.271160 where: bonds (distance) C4'-P energy: -81.003 bonds (distance) P-C4' energy: -82.885 flat angles C4'-P-C4' energy: -74.837 flat angles P-C4'-P energy: -47.480 tors. eta vs tors. theta energy: -34.067 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: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1818.967872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.967872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.967872 (E_RNA) where: Base-Base interactions energy: -1272.214 where: short stacking energy: -515.483 Base-Backbone interact. energy: -3.411 local terms energy: -543.343104 where: bonds (distance) C4'-P energy: -102.114 bonds (distance) P-C4' energy: -102.619 flat angles C4'-P-C4' energy: -113.484 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -147.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1742.610880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.610880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.610880 (E_RNA) where: Base-Base interactions energy: -1206.787 where: short stacking energy: -523.042 Base-Backbone interact. energy: -1.646 local terms energy: -534.178258 where: bonds (distance) C4'-P energy: -91.995 bonds (distance) P-C4' energy: -97.631 flat angles C4'-P-C4' energy: -111.931 flat angles P-C4'-P energy: -78.315 tors. eta vs tors. theta energy: -154.306 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: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1680.402772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.402772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.402772 (E_RNA) where: Base-Base interactions energy: -1160.314 where: short stacking energy: -513.079 Base-Backbone interact. energy: -1.744 local terms energy: -518.344679 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -97.298 flat angles C4'-P-C4' energy: -102.999 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -150.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1574.637988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.637988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.637988 (E_RNA) where: Base-Base interactions energy: -1092.470 where: short stacking energy: -434.473 Base-Backbone interact. energy: -3.854 local terms energy: -478.314111 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -92.746 flat angles C4'-P-C4' energy: -101.225 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -131.272 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: 10 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1513.999158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.999158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.999158 (E_RNA) where: Base-Base interactions energy: -1042.580 where: short stacking energy: -465.521 Base-Backbone interact. energy: 1.397 local terms energy: -472.816226 where: bonds (distance) C4'-P energy: -81.499 bonds (distance) P-C4' energy: -94.854 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -130.291 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: 477 Temperature: 1.150000 Total energy: -1343.968482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.968482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.968482 (E_RNA) where: Base-Base interactions energy: -897.709 where: short stacking energy: -410.376 Base-Backbone interact. energy: 0.299 local terms energy: -446.558947 where: bonds (distance) C4'-P energy: -89.417 bonds (distance) P-C4' energy: -91.916 flat angles C4'-P-C4' energy: -92.397 flat angles P-C4'-P energy: -67.540 tors. eta vs tors. theta energy: -105.289 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: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1282.108106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.108106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.108106 (E_RNA) where: Base-Base interactions energy: -855.606 where: short stacking energy: -379.489 Base-Backbone interact. energy: 0.286 local terms energy: -426.788354 where: bonds (distance) C4'-P energy: -86.220 bonds (distance) P-C4' energy: -98.361 flat angles C4'-P-C4' energy: -95.973 flat angles P-C4'-P energy: -51.756 tors. eta vs tors. theta energy: -94.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1059.023093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.023093 (E_RNA) where: Base-Base interactions energy: -708.943 where: short stacking energy: -285.418 Base-Backbone interact. energy: -1.252 local terms energy: -348.827825 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -74.390 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -54.018 tors. eta vs tors. theta energy: -57.238 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: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -779.729046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.729046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.729046 (E_RNA) where: Base-Base interactions energy: -463.037 where: short stacking energy: -222.358 Base-Backbone interact. energy: -0.679 local terms energy: -316.012771 where: bonds (distance) C4'-P energy: -67.687 bonds (distance) P-C4' energy: -92.088 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: -29.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -760.471613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.471613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.471613 (E_RNA) where: Base-Base interactions energy: -443.319 where: short stacking energy: -226.123 Base-Backbone interact. energy: -0.904 local terms energy: -316.247955 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -82.509 flat angles C4'-P-C4' energy: -72.500 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -33.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1798.994553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.994553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.994553 (E_RNA) where: Base-Base interactions energy: -1270.416 where: short stacking energy: -516.946 Base-Backbone interact. energy: -3.697 local terms energy: -524.881758 where: bonds (distance) C4'-P energy: -94.293 bonds (distance) P-C4' energy: -102.058 flat angles C4'-P-C4' energy: -112.420 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -140.530 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: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1748.093357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.093357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.093357 (E_RNA) where: Base-Base interactions energy: -1221.648 where: short stacking energy: -530.520 Base-Backbone interact. energy: -2.683 local terms energy: -523.761756 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -89.228 flat angles C4'-P-C4' energy: -116.818 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -157.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1661.898396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.898396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.898396 (E_RNA) where: Base-Base interactions energy: -1152.349 where: short stacking energy: -489.848 Base-Backbone interact. energy: -2.127 local terms energy: -507.422415 where: bonds (distance) C4'-P energy: -86.033 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -113.551 flat angles P-C4'-P energy: -64.101 tors. eta vs tors. theta energy: -154.192 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: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1595.683740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.683740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.683740 (E_RNA) where: Base-Base interactions energy: -1138.614 where: short stacking energy: -472.430 Base-Backbone interact. energy: 4.072 local terms energy: -461.141142 where: bonds (distance) C4'-P energy: -80.131 bonds (distance) P-C4' energy: -89.004 flat angles C4'-P-C4' energy: -102.552 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -124.265 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: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1517.027011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.027011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.027011 (E_RNA) where: Base-Base interactions energy: -1059.076 where: short stacking energy: -446.765 Base-Backbone interact. energy: -0.103 local terms energy: -457.847498 where: bonds (distance) C4'-P energy: -77.552 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -101.338 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -127.296 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: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1328.671754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.671754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.671754 (E_RNA) where: Base-Base interactions energy: -905.939 where: short stacking energy: -383.310 Base-Backbone interact. energy: -0.615 local terms energy: -422.117758 where: bonds (distance) C4'-P energy: -74.568 bonds (distance) P-C4' energy: -90.003 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -60.660 tors. eta vs tors. theta energy: -99.201 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: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1350.182962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.182962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.182962 (E_RNA) where: Base-Base interactions energy: -932.160 where: short stacking energy: -424.122 Base-Backbone interact. energy: -0.529 local terms energy: -417.494256 where: bonds (distance) C4'-P energy: -65.759 bonds (distance) P-C4' energy: -79.966 flat angles C4'-P-C4' energy: -102.778 flat angles P-C4'-P energy: -57.025 tors. eta vs tors. theta energy: -111.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1074.333657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.333657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.333657 (E_RNA) where: Base-Base interactions energy: -706.161 where: short stacking energy: -298.911 Base-Backbone interact. energy: -4.070 local terms energy: -364.102984 where: bonds (distance) C4'-P energy: -92.186 bonds (distance) P-C4' energy: -89.456 flat angles C4'-P-C4' energy: -79.726 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: -67.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -766.236142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.236142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.236142 (E_RNA) where: Base-Base interactions energy: -478.725 where: short stacking energy: -204.914 Base-Backbone interact. energy: -2.368 local terms energy: -285.143685 where: bonds (distance) C4'-P energy: -74.144 bonds (distance) P-C4' energy: -85.350 flat angles C4'-P-C4' energy: -76.866 flat angles P-C4'-P energy: -34.854 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -706.083038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.083038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.083038 (E_RNA) where: Base-Base interactions energy: -405.447 where: short stacking energy: -219.325 Base-Backbone interact. energy: 1.651 local terms energy: -302.287658 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -79.550 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -47.435 tors. eta vs tors. theta energy: -32.720 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: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1823.078765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.078765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.078765 (E_RNA) where: Base-Base interactions energy: -1293.723 where: short stacking energy: -527.972 Base-Backbone interact. energy: -0.880 local terms energy: -528.475673 where: bonds (distance) C4'-P energy: -90.257 bonds (distance) P-C4' energy: -100.452 flat angles C4'-P-C4' energy: -120.949 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -142.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1753.692718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.692718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.692718 (E_RNA) where: Base-Base interactions energy: -1231.052 where: short stacking energy: -530.294 Base-Backbone interact. energy: 0.927 local terms energy: -523.567918 where: bonds (distance) C4'-P energy: -95.166 bonds (distance) P-C4' energy: -108.946 flat angles C4'-P-C4' energy: -102.506 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: -154.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1698.864830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.864830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.864830 (E_RNA) where: Base-Base interactions energy: -1182.822 where: short stacking energy: -519.662 Base-Backbone interact. energy: -2.254 local terms energy: -513.788858 where: bonds (distance) C4'-P energy: -91.473 bonds (distance) P-C4' energy: -89.996 flat angles C4'-P-C4' energy: -111.342 flat angles P-C4'-P energy: -68.089 tors. eta vs tors. theta energy: -152.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1576.127261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.127261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.127261 (E_RNA) where: Base-Base interactions energy: -1091.509 where: short stacking energy: -456.866 Base-Backbone interact. energy: -2.698 local terms energy: -481.920031 where: bonds (distance) C4'-P energy: -94.862 bonds (distance) P-C4' energy: -94.785 flat angles C4'-P-C4' energy: -98.054 flat angles P-C4'-P energy: -66.430 tors. eta vs tors. theta energy: -127.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1554.625499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.625499 (E_RNA) where: Base-Base interactions energy: -1104.622 where: short stacking energy: -450.912 Base-Backbone interact. energy: -2.106 local terms energy: -447.897961 where: bonds (distance) C4'-P energy: -75.125 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -89.644 flat angles P-C4'-P energy: -63.382 tors. eta vs tors. theta energy: -120.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1330.518996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.518996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.518996 (E_RNA) where: Base-Base interactions energy: -867.469 where: short stacking energy: -409.833 Base-Backbone interact. energy: 0.181 local terms energy: -463.231155 where: bonds (distance) C4'-P energy: -86.840 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -60.797 tors. eta vs tors. theta energy: -117.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1296.524901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.524901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.524901 (E_RNA) where: Base-Base interactions energy: -873.409 where: short stacking energy: -377.339 Base-Backbone interact. energy: -0.767 local terms energy: -422.348834 where: bonds (distance) C4'-P energy: -70.684 bonds (distance) P-C4' energy: -88.099 flat angles C4'-P-C4' energy: -102.644 flat angles P-C4'-P energy: -59.393 tors. eta vs tors. theta energy: -101.529 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: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1067.441999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.441999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.441999 (E_RNA) where: Base-Base interactions energy: -701.326 where: short stacking energy: -300.480 Base-Backbone interact. energy: -1.230 local terms energy: -364.886358 where: bonds (distance) C4'-P energy: -91.435 bonds (distance) P-C4' energy: -83.015 flat angles C4'-P-C4' energy: -75.984 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -68.877 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: 479 Temperature: 1.300000 Total energy: -786.011598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.011598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.011598 (E_RNA) where: Base-Base interactions energy: -462.300 where: short stacking energy: -219.771 Base-Backbone interact. energy: 4.449 local terms energy: -328.160469 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -95.590 flat angles C4'-P-C4' energy: -74.340 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -25.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -634.894912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.894912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.894912 (E_RNA) where: Base-Base interactions energy: -359.573 where: short stacking energy: -157.269 Base-Backbone interact. energy: -1.619 local terms energy: -273.703490 where: bonds (distance) C4'-P energy: -80.020 bonds (distance) P-C4' energy: -103.011 flat angles C4'-P-C4' energy: -63.111 flat angles P-C4'-P energy: -31.386 tors. eta vs tors. theta energy: 3.825 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: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1830.976315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.976315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.976315 (E_RNA) where: Base-Base interactions energy: -1298.921 where: short stacking energy: -524.259 Base-Backbone interact. energy: -6.713 local terms energy: -525.342381 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -92.976 flat angles C4'-P-C4' energy: -114.139 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -153.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1758.322438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.322438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.322438 (E_RNA) where: Base-Base interactions energy: -1217.924 where: short stacking energy: -540.020 Base-Backbone interact. energy: -2.717 local terms energy: -537.681672 where: bonds (distance) C4'-P energy: -93.225 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -125.587 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -160.757 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: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1715.170292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.170292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.170292 (E_RNA) where: Base-Base interactions energy: -1202.214 where: short stacking energy: -525.397 Base-Backbone interact. energy: -1.550 local terms energy: -511.405821 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -86.019 flat angles C4'-P-C4' energy: -113.231 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -148.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1582.764980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.764980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.764980 (E_RNA) where: Base-Base interactions energy: -1086.059 where: short stacking energy: -466.782 Base-Backbone interact. energy: -1.606 local terms energy: -495.099815 where: bonds (distance) C4'-P energy: -96.108 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -106.554 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -140.454 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: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1560.999724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.999724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.999724 (E_RNA) where: Base-Base interactions energy: -1100.228 where: short stacking energy: -444.705 Base-Backbone interact. energy: 3.287 local terms energy: -464.058533 where: bonds (distance) C4'-P energy: -83.174 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -106.006 flat angles P-C4'-P energy: -70.100 tors. eta vs tors. theta energy: -121.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1337.929787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.929787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.929787 (E_RNA) where: Base-Base interactions energy: -878.255 where: short stacking energy: -406.290 Base-Backbone interact. energy: -1.235 local terms energy: -458.439840 where: bonds (distance) C4'-P energy: -90.247 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -98.030 flat angles P-C4'-P energy: -65.848 tors. eta vs tors. theta energy: -109.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1253.310897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.310897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.310897 (E_RNA) where: Base-Base interactions energy: -858.644 where: short stacking energy: -381.804 Base-Backbone interact. energy: -2.867 local terms energy: -391.800191 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -72.425 flat angles C4'-P-C4' energy: -100.221 flat angles P-C4'-P energy: -57.358 tors. eta vs tors. theta energy: -100.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1036.776505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.776505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.776505 (E_RNA) where: Base-Base interactions energy: -665.883 where: short stacking energy: -280.569 Base-Backbone interact. energy: -2.405 local terms energy: -368.488120 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -96.165 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -57.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -883.788848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.788848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.788848 (E_RNA) where: Base-Base interactions energy: -511.774 where: short stacking energy: -247.251 Base-Backbone interact. energy: 3.843 local terms energy: -375.858516 where: bonds (distance) C4'-P energy: -75.361 bonds (distance) P-C4' energy: -100.593 flat angles C4'-P-C4' energy: -105.644 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -53.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -678.915730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.915730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.915730 (E_RNA) where: Base-Base interactions energy: -352.956 where: short stacking energy: -190.680 Base-Backbone interact. energy: 6.129 local terms energy: -332.088757 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -91.428 flat angles C4'-P-C4' energy: -81.919 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -18.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1850.309488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.309488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.309488 (E_RNA) where: Base-Base interactions energy: -1320.370 where: short stacking energy: -541.360 Base-Backbone interact. energy: -3.028 local terms energy: -526.910954 where: bonds (distance) C4'-P energy: -102.614 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -105.740 flat angles P-C4'-P energy: -70.696 tors. eta vs tors. theta energy: -154.602 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: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1760.131016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.131016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.131016 (E_RNA) where: Base-Base interactions energy: -1214.971 where: short stacking energy: -525.218 Base-Backbone interact. energy: -1.521 local terms energy: -543.638178 where: bonds (distance) C4'-P energy: -97.034 bonds (distance) P-C4' energy: -95.122 flat angles C4'-P-C4' energy: -106.180 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -161.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1725.028757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.028757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.028757 (E_RNA) where: Base-Base interactions energy: -1214.561 where: short stacking energy: -517.781 Base-Backbone interact. energy: -1.453 local terms energy: -509.014457 where: bonds (distance) C4'-P energy: -86.463 bonds (distance) P-C4' energy: -96.799 flat angles C4'-P-C4' energy: -103.656 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -150.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1575.072645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.072645 (E_RNA) where: Base-Base interactions energy: -1108.018 where: short stacking energy: -441.707 Base-Backbone interact. energy: -0.041 local terms energy: -467.013278 where: bonds (distance) C4'-P energy: -86.808 bonds (distance) P-C4' energy: -87.020 flat angles C4'-P-C4' energy: -100.295 flat angles P-C4'-P energy: -63.949 tors. eta vs tors. theta energy: -128.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1553.645779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.645779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.645779 (E_RNA) where: Base-Base interactions energy: -1072.326 where: short stacking energy: -433.420 Base-Backbone interact. energy: -1.879 local terms energy: -479.441163 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -92.706 flat angles C4'-P-C4' energy: -105.516 flat angles P-C4'-P energy: -67.971 tors. eta vs tors. theta energy: -121.890 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1301.912228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.912228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.912228 (E_RNA) where: Base-Base interactions energy: -901.031 where: short stacking energy: -397.289 Base-Backbone interact. energy: 0.995 local terms energy: -401.876294 where: bonds (distance) C4'-P energy: -76.037 bonds (distance) P-C4' energy: -87.843 flat angles C4'-P-C4' energy: -83.605 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -87.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1329.516661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.516661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.516661 (E_RNA) where: Base-Base interactions energy: -908.376 where: short stacking energy: -372.676 Base-Backbone interact. energy: -1.711 local terms energy: -419.429740 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -90.452 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: -93.650 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: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1069.433654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.433654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.433654 (E_RNA) where: Base-Base interactions energy: -713.930 where: short stacking energy: -318.155 Base-Backbone interact. energy: -3.450 local terms energy: -352.053124 where: bonds (distance) C4'-P energy: -77.199 bonds (distance) P-C4' energy: -76.894 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: -72.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -890.867891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.867891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.867891 (E_RNA) where: Base-Base interactions energy: -556.062 where: short stacking energy: -263.703 Base-Backbone interact. energy: -0.990 local terms energy: -333.815874 where: bonds (distance) C4'-P energy: -80.050 bonds (distance) P-C4' energy: -77.339 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -40.860 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: 481 Temperature: 1.350000 Total energy: -642.900604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.900604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.900604 (E_RNA) where: Base-Base interactions energy: -352.618 where: short stacking energy: -175.616 Base-Backbone interact. energy: 0.615 local terms energy: -290.898175 where: bonds (distance) C4'-P energy: -82.262 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -61.091 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -7.587 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: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1833.813719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.813719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.813719 (E_RNA) where: Base-Base interactions energy: -1293.964 where: short stacking energy: -513.095 Base-Backbone interact. energy: 1.506 local terms energy: -541.356269 where: bonds (distance) C4'-P energy: -104.668 bonds (distance) P-C4' energy: -91.813 flat angles C4'-P-C4' energy: -116.840 flat angles P-C4'-P energy: -83.375 tors. eta vs tors. theta energy: -144.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1771.221882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.221882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.221882 (E_RNA) where: Base-Base interactions energy: -1227.601 where: short stacking energy: -536.444 Base-Backbone interact. energy: -0.810 local terms energy: -542.810947 where: bonds (distance) C4'-P energy: -90.951 bonds (distance) P-C4' energy: -105.346 flat angles C4'-P-C4' energy: -112.277 flat angles P-C4'-P energy: -74.459 tors. eta vs tors. theta energy: -159.778 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: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1729.798955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.798955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.798955 (E_RNA) where: Base-Base interactions energy: -1195.946 where: short stacking energy: -519.920 Base-Backbone interact. energy: -4.385 local terms energy: -529.468277 where: bonds (distance) C4'-P energy: -98.019 bonds (distance) P-C4' energy: -92.689 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -73.201 tors. eta vs tors. theta energy: -153.586 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: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1606.575265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.575265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.575265 (E_RNA) where: Base-Base interactions energy: -1139.677 where: short stacking energy: -467.553 Base-Backbone interact. energy: 4.797 local terms energy: -471.695116 where: bonds (distance) C4'-P energy: -82.241 bonds (distance) P-C4' energy: -88.952 flat angles C4'-P-C4' energy: -104.134 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -127.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1523.111752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.111752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.111752 (E_RNA) where: Base-Base interactions energy: -1064.904 where: short stacking energy: -464.818 Base-Backbone interact. energy: -0.025 local terms energy: -458.183041 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -93.540 flat angles C4'-P-C4' energy: -95.854 flat angles P-C4'-P energy: -60.394 tors. eta vs tors. theta energy: -122.403 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: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1344.163517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.163517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.163517 (E_RNA) where: Base-Base interactions energy: -887.804 where: short stacking energy: -391.044 Base-Backbone interact. energy: 1.583 local terms energy: -457.942472 where: bonds (distance) C4'-P energy: -82.794 bonds (distance) P-C4' energy: -109.400 flat angles C4'-P-C4' energy: -95.415 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: -104.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1375.007716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.007716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.007716 (E_RNA) where: Base-Base interactions energy: -953.194 where: short stacking energy: -403.967 Base-Backbone interact. energy: -1.672 local terms energy: -420.141386 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -94.551 flat angles C4'-P-C4' energy: -89.959 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: -106.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1085.897289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.897289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.897289 (E_RNA) where: Base-Base interactions energy: -717.919 where: short stacking energy: -322.842 Base-Backbone interact. energy: -2.341 local terms energy: -365.638046 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -86.272 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -77.012 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: 482 Temperature: 1.300000 Total energy: -896.595533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.595533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.595533 (E_RNA) where: Base-Base interactions energy: -585.074 where: short stacking energy: -282.626 Base-Backbone interact. energy: 5.238 local terms energy: -316.758623 where: bonds (distance) C4'-P energy: -75.239 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -72.644 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -45.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -672.189452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.189452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.189452 (E_RNA) where: Base-Base interactions energy: -371.387 where: short stacking energy: -203.852 Base-Backbone interact. energy: -0.493 local terms energy: -300.310212 where: bonds (distance) C4'-P energy: -82.422 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -73.502 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -14.908 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: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1820.434058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.434058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.434058 (E_RNA) where: Base-Base interactions energy: -1316.030 where: short stacking energy: -538.533 Base-Backbone interact. energy: -0.079 local terms energy: -504.325142 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -114.801 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -144.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1754.623679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.623679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.623679 (E_RNA) where: Base-Base interactions energy: -1209.206 where: short stacking energy: -524.074 Base-Backbone interact. energy: -1.264 local terms energy: -544.152815 where: bonds (distance) C4'-P energy: -87.157 bonds (distance) P-C4' energy: -110.494 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -78.778 tors. eta vs tors. theta energy: -155.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1722.654305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.654305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.654305 (E_RNA) where: Base-Base interactions energy: -1198.432 where: short stacking energy: -503.426 Base-Backbone interact. energy: -0.316 local terms energy: -523.906939 where: bonds (distance) C4'-P energy: -90.661 bonds (distance) P-C4' energy: -108.212 flat angles C4'-P-C4' energy: -105.876 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -150.840 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: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1618.981467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.981467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.981467 (E_RNA) where: Base-Base interactions energy: -1167.526 where: short stacking energy: -473.994 Base-Backbone interact. energy: 0.879 local terms energy: -452.334896 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -90.719 flat angles C4'-P-C4' energy: -105.310 flat angles P-C4'-P energy: -50.467 tors. eta vs tors. theta energy: -124.808 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: 10 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1527.080443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.080443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.080443 (E_RNA) where: Base-Base interactions energy: -1058.295 where: short stacking energy: -462.818 Base-Backbone interact. energy: -2.820 local terms energy: -465.965614 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -95.092 flat angles C4'-P-C4' energy: -97.014 flat angles P-C4'-P energy: -72.225 tors. eta vs tors. theta energy: -124.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1416.360250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.360250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.360250 (E_RNA) where: Base-Base interactions energy: -961.497 where: short stacking energy: -435.272 Base-Backbone interact. energy: -2.228 local terms energy: -452.635382 where: bonds (distance) C4'-P energy: -85.521 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -105.205 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -123.283 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: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1325.382643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.382643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.382643 (E_RNA) where: Base-Base interactions energy: -899.631 where: short stacking energy: -395.420 Base-Backbone interact. energy: -0.478 local terms energy: -425.273091 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -95.115 flat angles C4'-P-C4' energy: -109.112 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -96.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1066.999231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.999231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.999231 (E_RNA) where: Base-Base interactions energy: -684.636 where: short stacking energy: -286.910 Base-Backbone interact. energy: -2.206 local terms energy: -380.156936 where: bonds (distance) C4'-P energy: -85.596 bonds (distance) P-C4' energy: -85.649 flat angles C4'-P-C4' energy: -96.570 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -64.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -865.714272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.714272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.714272 (E_RNA) where: Base-Base interactions energy: -552.106 where: short stacking energy: -247.826 Base-Backbone interact. energy: -0.263 local terms energy: -313.345595 where: bonds (distance) C4'-P energy: -77.111 bonds (distance) P-C4' energy: -69.591 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -53.304 tors. eta vs tors. theta energy: -32.614 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: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -686.541656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.541656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.541656 (E_RNA) where: Base-Base interactions energy: -365.727 where: short stacking energy: -195.873 Base-Backbone interact. energy: -1.470 local terms energy: -319.345375 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -77.384 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: -14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1830.486253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.486253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.486253 (E_RNA) where: Base-Base interactions energy: -1292.189 where: short stacking energy: -527.320 Base-Backbone interact. energy: -1.020 local terms energy: -537.277545 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -109.758 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -153.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1748.520907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.520907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.520907 (E_RNA) where: Base-Base interactions energy: -1208.459 where: short stacking energy: -522.478 Base-Backbone interact. energy: -0.779 local terms energy: -539.282599 where: bonds (distance) C4'-P energy: -101.028 bonds (distance) P-C4' energy: -93.610 flat angles C4'-P-C4' energy: -114.254 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -156.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1703.041111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.041111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.041111 (E_RNA) where: Base-Base interactions energy: -1170.891 where: short stacking energy: -519.453 Base-Backbone interact. energy: -0.853 local terms energy: -531.297513 where: bonds (distance) C4'-P energy: -103.014 bonds (distance) P-C4' energy: -94.501 flat angles C4'-P-C4' energy: -106.526 flat angles P-C4'-P energy: -70.733 tors. eta vs tors. theta energy: -156.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1599.320694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.320694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.320694 (E_RNA) where: Base-Base interactions energy: -1134.457 where: short stacking energy: -461.851 Base-Backbone interact. energy: -3.425 local terms energy: -461.438747 where: bonds (distance) C4'-P energy: -85.349 bonds (distance) P-C4' energy: -78.025 flat angles C4'-P-C4' energy: -105.615 flat angles P-C4'-P energy: -68.552 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: 5, replica: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1573.247154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.247154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.247154 (E_RNA) where: Base-Base interactions energy: -1082.035 where: short stacking energy: -469.467 Base-Backbone interact. energy: 0.202 local terms energy: -491.414864 where: bonds (distance) C4'-P energy: -89.241 bonds (distance) P-C4' energy: -93.737 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -68.016 tors. eta vs tors. theta energy: -128.588 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: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1425.594551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.594551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.594551 (E_RNA) where: Base-Base interactions energy: -963.240 where: short stacking energy: -404.061 Base-Backbone interact. energy: -2.789 local terms energy: -459.564807 where: bonds (distance) C4'-P energy: -92.340 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -95.700 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -108.306 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: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1294.562857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.562857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.562857 (E_RNA) where: Base-Base interactions energy: -861.443 where: short stacking energy: -371.166 Base-Backbone interact. energy: 1.019 local terms energy: -434.138350 where: bonds (distance) C4'-P energy: -84.461 bonds (distance) P-C4' energy: -90.474 flat angles C4'-P-C4' energy: -102.179 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -99.513 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: 484 Temperature: 1.250000 Total energy: -994.986779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.986779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.986779 (E_RNA) where: Base-Base interactions energy: -667.445 where: short stacking energy: -286.399 Base-Backbone interact. energy: -1.067 local terms energy: -326.475502 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -71.315 flat angles C4'-P-C4' energy: -77.132 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -42.844 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: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -829.466140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.466140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.466140 (E_RNA) where: Base-Base interactions energy: -495.529 where: short stacking energy: -240.617 Base-Backbone interact. energy: -1.425 local terms energy: -332.511564 where: bonds (distance) C4'-P energy: -67.476 bonds (distance) P-C4' energy: -91.497 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -37.838 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: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -717.420436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.420436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.420436 (E_RNA) where: Base-Base interactions energy: -437.666 where: short stacking energy: -197.619 Base-Backbone interact. energy: -1.232 local terms energy: -278.522209 where: bonds (distance) C4'-P energy: -85.127 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -69.700 flat angles P-C4'-P energy: -27.134 tors. eta vs tors. theta energy: -13.755 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: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1846.386852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.386852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.386852 (E_RNA) where: Base-Base interactions energy: -1305.358 where: short stacking energy: -528.315 Base-Backbone interact. energy: -4.061 local terms energy: -536.967207 where: bonds (distance) C4'-P energy: -97.781 bonds (distance) P-C4' energy: -101.098 flat angles C4'-P-C4' energy: -111.131 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -151.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1742.234130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.234130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.234130 (E_RNA) where: Base-Base interactions energy: -1231.793 where: short stacking energy: -549.259 Base-Backbone interact. energy: 1.086 local terms energy: -511.527174 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -112.985 flat angles P-C4'-P energy: -63.174 tors. eta vs tors. theta energy: -154.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1694.950529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.950529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.950529 (E_RNA) where: Base-Base interactions energy: -1177.247 where: short stacking energy: -518.696 Base-Backbone interact. energy: -0.759 local terms energy: -516.944036 where: bonds (distance) C4'-P energy: -79.979 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -112.180 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -153.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1587.354178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.354178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.354178 (E_RNA) where: Base-Base interactions energy: -1138.801 where: short stacking energy: -445.498 Base-Backbone interact. energy: -2.390 local terms energy: -446.162780 where: bonds (distance) C4'-P energy: -102.336 bonds (distance) P-C4' energy: -91.929 flat angles C4'-P-C4' energy: -83.110 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -114.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1528.483649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.483649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.483649 (E_RNA) where: Base-Base interactions energy: -1050.921 where: short stacking energy: -435.586 Base-Backbone interact. energy: -1.555 local terms energy: -476.007530 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -95.950 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -122.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1430.873863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.873863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.873863 (E_RNA) where: Base-Base interactions energy: -963.502 where: short stacking energy: -416.809 Base-Backbone interact. energy: -2.211 local terms energy: -465.160981 where: bonds (distance) C4'-P energy: -75.338 bonds (distance) P-C4' energy: -94.231 flat angles C4'-P-C4' energy: -99.770 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -129.338 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: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1306.715910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.715910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.715910 (E_RNA) where: Base-Base interactions energy: -898.531 where: short stacking energy: -378.457 Base-Backbone interact. energy: -1.890 local terms energy: -406.294323 where: bonds (distance) C4'-P energy: -74.329 bonds (distance) P-C4' energy: -82.560 flat angles C4'-P-C4' energy: -98.394 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -81.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -968.035695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.035695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.035695 (E_RNA) where: Base-Base interactions energy: -637.235 where: short stacking energy: -284.914 Base-Backbone interact. energy: -1.926 local terms energy: -328.874294 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -82.427 flat angles C4'-P-C4' energy: -81.344 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -43.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -831.222811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.222811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.222811 (E_RNA) where: Base-Base interactions energy: -494.215 where: short stacking energy: -255.996 Base-Backbone interact. energy: -1.980 local terms energy: -335.027864 where: bonds (distance) C4'-P energy: -81.753 bonds (distance) P-C4' energy: -87.752 flat angles C4'-P-C4' energy: -74.136 flat angles P-C4'-P energy: -51.354 tors. eta vs tors. theta energy: -40.032 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: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -760.770295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.770295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.770295 (E_RNA) where: Base-Base interactions energy: -463.874 where: short stacking energy: -231.406 Base-Backbone interact. energy: 0.926 local terms energy: -297.822256 where: bonds (distance) C4'-P energy: -70.397 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -77.037 flat angles P-C4'-P energy: -43.645 tors. eta vs tors. theta energy: -22.912 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: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1821.150115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.150115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.150115 (E_RNA) where: Base-Base interactions energy: -1290.276 where: short stacking energy: -512.065 Base-Backbone interact. energy: -3.165 local terms energy: -527.708819 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -88.169 flat angles C4'-P-C4' energy: -112.861 flat angles P-C4'-P energy: -83.929 tors. eta vs tors. theta energy: -149.196 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: 2, replica: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1764.619027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.619027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.619027 (E_RNA) where: Base-Base interactions energy: -1222.060 where: short stacking energy: -536.638 Base-Backbone interact. energy: 1.558 local terms energy: -544.116771 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -109.137 flat angles C4'-P-C4' energy: -111.904 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -152.872 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: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1703.283021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.283021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.283021 (E_RNA) where: Base-Base interactions energy: -1165.710 where: short stacking energy: -499.700 Base-Backbone interact. energy: -2.964 local terms energy: -534.608443 where: bonds (distance) C4'-P energy: -96.898 bonds (distance) P-C4' energy: -95.356 flat angles C4'-P-C4' energy: -115.772 flat angles P-C4'-P energy: -66.446 tors. eta vs tors. theta energy: -160.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1587.926608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.926608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.926608 (E_RNA) where: Base-Base interactions energy: -1112.900 where: short stacking energy: -439.436 Base-Backbone interact. energy: -4.972 local terms energy: -470.054008 where: bonds (distance) C4'-P energy: -85.438 bonds (distance) P-C4' energy: -84.884 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -125.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1498.486001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.486001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.486001 (E_RNA) where: Base-Base interactions energy: -1015.841 where: short stacking energy: -433.504 Base-Backbone interact. energy: -0.080 local terms energy: -482.565247 where: bonds (distance) C4'-P energy: -90.300 bonds (distance) P-C4' energy: -95.902 flat angles C4'-P-C4' energy: -102.389 flat angles P-C4'-P energy: -67.267 tors. eta vs tors. theta energy: -126.707 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: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1410.588633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.588633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.588633 (E_RNA) where: Base-Base interactions energy: -964.922 where: short stacking energy: -419.284 Base-Backbone interact. energy: -0.674 local terms energy: -444.991795 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -93.280 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -122.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1261.268029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.268029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.268029 (E_RNA) where: Base-Base interactions energy: -872.404 where: short stacking energy: -383.180 Base-Backbone interact. energy: 4.626 local terms energy: -393.489785 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -57.872 flat angles C4'-P-C4' energy: -96.630 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -98.414 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: 4 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1007.861511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.861511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.861511 (E_RNA) where: Base-Base interactions energy: -622.418 where: short stacking energy: -291.130 Base-Backbone interact. energy: -3.507 local terms energy: -381.936819 where: bonds (distance) C4'-P energy: -82.646 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -88.842 flat angles P-C4'-P energy: -56.750 tors. eta vs tors. theta energy: -64.327 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: 486 Temperature: 1.300000 Total energy: -833.668784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.668784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.668784 (E_RNA) where: Base-Base interactions energy: -494.353 where: short stacking energy: -254.608 Base-Backbone interact. energy: -2.280 local terms energy: -337.035878 where: bonds (distance) C4'-P energy: -76.968 bonds (distance) P-C4' energy: -81.359 flat angles C4'-P-C4' energy: -78.189 flat angles P-C4'-P energy: -50.011 tors. eta vs tors. theta energy: -50.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -768.004269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.004269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.004269 (E_RNA) where: Base-Base interactions energy: -464.170 where: short stacking energy: -225.003 Base-Backbone interact. energy: -0.562 local terms energy: -303.272205 where: bonds (distance) C4'-P energy: -78.414 bonds (distance) P-C4' energy: -72.358 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -31.877 tors. eta vs tors. theta energy: -35.234 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: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1817.867293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.867293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.867293 (E_RNA) where: Base-Base interactions energy: -1286.649 where: short stacking energy: -512.694 Base-Backbone interact. energy: -2.212 local terms energy: -529.006987 where: bonds (distance) C4'-P energy: -88.262 bonds (distance) P-C4' energy: -106.764 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -68.763 tors. eta vs tors. theta energy: -149.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1725.216581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.216581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.216581 (E_RNA) where: Base-Base interactions energy: -1182.707 where: short stacking energy: -521.919 Base-Backbone interact. energy: -1.458 local terms energy: -541.051346 where: bonds (distance) C4'-P energy: -86.958 bonds (distance) P-C4' energy: -96.550 flat angles C4'-P-C4' energy: -118.099 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -158.502 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: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1754.847650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.847650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.847650 (E_RNA) where: Base-Base interactions energy: -1237.656 where: short stacking energy: -549.163 Base-Backbone interact. energy: -0.092 local terms energy: -517.099599 where: bonds (distance) C4'-P energy: -89.886 bonds (distance) P-C4' energy: -91.955 flat angles C4'-P-C4' energy: -107.077 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -159.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1557.144813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.144813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.144813 (E_RNA) where: Base-Base interactions energy: -1071.395 where: short stacking energy: -451.772 Base-Backbone interact. energy: -3.904 local terms energy: -481.846052 where: bonds (distance) C4'-P energy: -94.827 bonds (distance) P-C4' energy: -90.467 flat angles C4'-P-C4' energy: -100.257 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -124.532 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: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1533.448158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.448158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.448158 (E_RNA) where: Base-Base interactions energy: -1032.265 where: short stacking energy: -433.913 Base-Backbone interact. energy: -2.032 local terms energy: -499.151186 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -78.080 tors. eta vs tors. theta energy: -130.091 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: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1428.776045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.776045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.776045 (E_RNA) where: Base-Base interactions energy: -981.147 where: short stacking energy: -428.170 Base-Backbone interact. energy: -0.758 local terms energy: -446.871644 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -94.593 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: -119.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1256.788583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.788583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.788583 (E_RNA) where: Base-Base interactions energy: -834.202 where: short stacking energy: -369.748 Base-Backbone interact. energy: -1.355 local terms energy: -421.231801 where: bonds (distance) C4'-P energy: -73.202 bonds (distance) P-C4' energy: -99.657 flat angles C4'-P-C4' energy: -95.990 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -96.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1008.365624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.365624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.365624 (E_RNA) where: Base-Base interactions energy: -624.179 where: short stacking energy: -291.002 Base-Backbone interact. energy: -2.958 local terms energy: -381.228074 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -82.558 flat angles C4'-P-C4' energy: -83.179 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: -68.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -799.592142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.592142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.592142 (E_RNA) where: Base-Base interactions energy: -483.657 where: short stacking energy: -220.249 Base-Backbone interact. energy: 0.962 local terms energy: -316.897389 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -80.756 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -23.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -773.471670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.471670 (E_RNA) where: Base-Base interactions energy: -449.895 where: short stacking energy: -205.720 Base-Backbone interact. energy: -0.472 local terms energy: -323.104604 where: bonds (distance) C4'-P energy: -74.659 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -71.325 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -27.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1840.717891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.717891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.717891 (E_RNA) where: Base-Base interactions energy: -1303.511 where: short stacking energy: -547.441 Base-Backbone interact. energy: -4.377 local terms energy: -532.829672 where: bonds (distance) C4'-P energy: -99.454 bonds (distance) P-C4' energy: -102.167 flat angles C4'-P-C4' energy: -105.052 flat angles P-C4'-P energy: -77.334 tors. eta vs tors. theta energy: -148.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1767.122583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.122583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.122583 (E_RNA) where: Base-Base interactions energy: -1226.405 where: short stacking energy: -534.249 Base-Backbone interact. energy: -0.298 local terms energy: -540.419114 where: bonds (distance) C4'-P energy: -98.730 bonds (distance) P-C4' energy: -91.350 flat angles C4'-P-C4' energy: -113.837 flat angles P-C4'-P energy: -80.449 tors. eta vs tors. theta energy: -156.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1725.276066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.276066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.276066 (E_RNA) where: Base-Base interactions energy: -1191.636 where: short stacking energy: -520.434 Base-Backbone interact. energy: 1.203 local terms energy: -534.842715 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -87.850 flat angles C4'-P-C4' energy: -116.727 flat angles P-C4'-P energy: -76.574 tors. eta vs tors. theta energy: -152.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1579.299719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.299719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.299719 (E_RNA) where: Base-Base interactions energy: -1115.534 where: short stacking energy: -451.934 Base-Backbone interact. energy: -2.608 local terms energy: -461.157653 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -98.245 flat angles P-C4'-P energy: -71.522 tors. eta vs tors. theta energy: -129.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1547.016515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.016515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.016515 (E_RNA) where: Base-Base interactions energy: -1060.378 where: short stacking energy: -449.676 Base-Backbone interact. energy: -4.958 local terms energy: -481.680647 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -84.152 flat angles C4'-P-C4' energy: -102.681 flat angles P-C4'-P energy: -66.000 tors. eta vs tors. theta energy: -138.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1402.512430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.512430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.512430 (E_RNA) where: Base-Base interactions energy: -967.368 where: short stacking energy: -405.706 Base-Backbone interact. energy: 3.446 local terms energy: -438.590884 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -83.476 flat angles C4'-P-C4' energy: -100.552 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: -102.509 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: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1255.039594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.039594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.039594 (E_RNA) where: Base-Base interactions energy: -855.126 where: short stacking energy: -382.684 Base-Backbone interact. energy: -1.154 local terms energy: -398.759867 where: bonds (distance) C4'-P energy: -77.125 bonds (distance) P-C4' energy: -81.002 flat angles C4'-P-C4' energy: -94.548 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -90.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1019.855856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.855856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.855856 (E_RNA) where: Base-Base interactions energy: -665.798 where: short stacking energy: -293.105 Base-Backbone interact. energy: -1.701 local terms energy: -352.356861 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -85.290 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -62.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -833.991580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.991580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.991580 (E_RNA) where: Base-Base interactions energy: -506.195 where: short stacking energy: -238.635 Base-Backbone interact. energy: 2.009 local terms energy: -329.805570 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -90.629 flat angles C4'-P-C4' energy: -85.516 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -35.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -763.846736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.846736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.846736 (E_RNA) where: Base-Base interactions energy: -448.826 where: short stacking energy: -229.401 Base-Backbone interact. energy: -3.917 local terms energy: -311.103277 where: bonds (distance) C4'-P energy: -77.762 bonds (distance) P-C4' energy: -88.937 flat angles C4'-P-C4' energy: -78.813 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -24.996 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: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1816.332536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.332536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.332536 (E_RNA) where: Base-Base interactions energy: -1291.553 where: short stacking energy: -524.877 Base-Backbone interact. energy: -0.827 local terms energy: -523.952657 where: bonds (distance) C4'-P energy: -93.029 bonds (distance) P-C4' energy: -92.833 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -76.604 tors. eta vs tors. theta energy: -149.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1764.130732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.130732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.130732 (E_RNA) where: Base-Base interactions energy: -1224.649 where: short stacking energy: -531.084 Base-Backbone interact. energy: -2.455 local terms energy: -537.026824 where: bonds (distance) C4'-P energy: -93.196 bonds (distance) P-C4' energy: -98.345 flat angles C4'-P-C4' energy: -111.222 flat angles P-C4'-P energy: -68.224 tors. eta vs tors. theta energy: -166.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1706.187980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.187980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.187980 (E_RNA) where: Base-Base interactions energy: -1185.272 where: short stacking energy: -521.328 Base-Backbone interact. energy: -1.380 local terms energy: -519.536253 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -90.067 flat angles C4'-P-C4' energy: -115.149 flat angles P-C4'-P energy: -73.095 tors. eta vs tors. theta energy: -158.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1590.193133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.193133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.193133 (E_RNA) where: Base-Base interactions energy: -1103.973 where: short stacking energy: -444.790 Base-Backbone interact. energy: 1.120 local terms energy: -487.340403 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -96.402 flat angles C4'-P-C4' energy: -110.845 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -121.443 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: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1581.004788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.004788 (E_RNA) where: Base-Base interactions energy: -1073.327 where: short stacking energy: -473.158 Base-Backbone interact. energy: -1.349 local terms energy: -506.328866 where: bonds (distance) C4'-P energy: -96.470 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -105.266 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -144.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1418.315732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.315732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.315732 (E_RNA) where: Base-Base interactions energy: -984.454 where: short stacking energy: -405.262 Base-Backbone interact. energy: 0.883 local terms energy: -434.744991 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -88.434 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -106.891 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: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1246.394525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.394525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.394525 (E_RNA) where: Base-Base interactions energy: -847.346 where: short stacking energy: -373.663 Base-Backbone interact. energy: 1.414 local terms energy: -400.462107 where: bonds (distance) C4'-P energy: -85.514 bonds (distance) P-C4' energy: -84.063 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -89.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1024.812705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.812705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.812705 (E_RNA) where: Base-Base interactions energy: -644.353 where: short stacking energy: -279.705 Base-Backbone interact. energy: -1.007 local terms energy: -379.452459 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -88.166 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -69.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -822.897061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.897061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.897061 (E_RNA) where: Base-Base interactions energy: -509.683 where: short stacking energy: -245.413 Base-Backbone interact. energy: 3.621 local terms energy: -316.835720 where: bonds (distance) C4'-P energy: -78.117 bonds (distance) P-C4' energy: -83.510 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -35.146 tors. eta vs tors. theta energy: -43.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -748.563512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.563512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.563512 (E_RNA) where: Base-Base interactions energy: -451.784 where: short stacking energy: -207.045 Base-Backbone interact. energy: -2.528 local terms energy: -294.250896 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -27.781 tors. eta vs tors. theta energy: -21.238 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: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1814.386418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.386418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.386418 (E_RNA) where: Base-Base interactions energy: -1289.725 where: short stacking energy: -517.127 Base-Backbone interact. energy: -1.831 local terms energy: -522.829716 where: bonds (distance) C4'-P energy: -96.613 bonds (distance) P-C4' energy: -102.670 flat angles C4'-P-C4' energy: -109.443 flat angles P-C4'-P energy: -70.115 tors. eta vs tors. theta energy: -143.989 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: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1771.362318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.362318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.362318 (E_RNA) where: Base-Base interactions energy: -1247.180 where: short stacking energy: -536.963 Base-Backbone interact. energy: 1.104 local terms energy: -525.285957 where: bonds (distance) C4'-P energy: -87.192 bonds (distance) P-C4' energy: -90.795 flat angles C4'-P-C4' energy: -108.706 flat angles P-C4'-P energy: -73.249 tors. eta vs tors. theta energy: -165.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1719.112951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.112951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.112951 (E_RNA) where: Base-Base interactions energy: -1205.192 where: short stacking energy: -489.966 Base-Backbone interact. energy: -3.415 local terms energy: -510.506334 where: bonds (distance) C4'-P energy: -101.105 bonds (distance) P-C4' energy: -90.628 flat angles C4'-P-C4' energy: -109.905 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -142.643 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: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1569.574189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.574189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.574189 (E_RNA) where: Base-Base interactions energy: -1095.948 where: short stacking energy: -447.947 Base-Backbone interact. energy: -1.667 local terms energy: -471.959550 where: bonds (distance) C4'-P energy: -74.640 bonds (distance) P-C4' energy: -96.261 flat angles C4'-P-C4' energy: -113.438 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: -125.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1559.866175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.866175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.866175 (E_RNA) where: Base-Base interactions energy: -1092.209 where: short stacking energy: -465.257 Base-Backbone interact. energy: 0.861 local terms energy: -468.517987 where: bonds (distance) C4'-P energy: -92.906 bonds (distance) P-C4' energy: -93.234 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -134.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1432.877875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.877875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.877875 (E_RNA) where: Base-Base interactions energy: -980.932 where: short stacking energy: -428.397 Base-Backbone interact. energy: -1.590 local terms energy: -450.356702 where: bonds (distance) C4'-P energy: -94.063 bonds (distance) P-C4' energy: -78.946 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -65.431 tors. eta vs tors. theta energy: -121.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1273.690104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.690104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.690104 (E_RNA) where: Base-Base interactions energy: -852.359 where: short stacking energy: -366.736 Base-Backbone interact. energy: -1.280 local terms energy: -420.050843 where: bonds (distance) C4'-P energy: -76.713 bonds (distance) P-C4' energy: -86.701 flat angles C4'-P-C4' energy: -94.964 flat angles P-C4'-P energy: -73.680 tors. eta vs tors. theta energy: -87.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1059.584721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.584721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.584721 (E_RNA) where: Base-Base interactions energy: -679.924 where: short stacking energy: -296.819 Base-Backbone interact. energy: -2.356 local terms energy: -377.304153 where: bonds (distance) C4'-P energy: -83.765 bonds (distance) P-C4' energy: -94.168 flat angles C4'-P-C4' energy: -80.618 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -70.560 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: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -793.375480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.375480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.375480 (E_RNA) where: Base-Base interactions energy: -445.469 where: short stacking energy: -222.157 Base-Backbone interact. energy: -1.971 local terms energy: -345.935105 where: bonds (distance) C4'-P energy: -98.400 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -72.788 flat angles P-C4'-P energy: -48.945 tors. eta vs tors. theta energy: -36.341 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: 6 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -723.564889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.564889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.564889 (E_RNA) where: Base-Base interactions energy: -422.472 where: short stacking energy: -196.778 Base-Backbone interact. energy: 0.053 local terms energy: -301.145912 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -86.988 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -57.961 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1831.761471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.761471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.761471 (E_RNA) where: Base-Base interactions energy: -1294.765 where: short stacking energy: -520.704 Base-Backbone interact. energy: -4.072 local terms energy: -532.924100 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -97.228 flat angles C4'-P-C4' energy: -97.718 flat angles P-C4'-P energy: -87.753 tors. eta vs tors. theta energy: -152.577 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: 491 Temperature: 0.950000 Total energy: -1761.074456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.074456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.074456 (E_RNA) where: Base-Base interactions energy: -1217.040 where: short stacking energy: -518.025 Base-Backbone interact. energy: -0.879 local terms energy: -543.154586 where: bonds (distance) C4'-P energy: -101.853 bonds (distance) P-C4' energy: -101.562 flat angles C4'-P-C4' energy: -116.580 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -153.632 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: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1735.790416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.790416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.790416 (E_RNA) where: Base-Base interactions energy: -1200.734 where: short stacking energy: -542.981 Base-Backbone interact. energy: -3.778 local terms energy: -531.278781 where: bonds (distance) C4'-P energy: -85.918 bonds (distance) P-C4' energy: -94.788 flat angles C4'-P-C4' energy: -115.405 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -158.913 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: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1544.692029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.692029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.692029 (E_RNA) where: Base-Base interactions energy: -1088.033 where: short stacking energy: -442.506 Base-Backbone interact. energy: -4.020 local terms energy: -452.639093 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -108.878 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -121.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1608.648211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.648211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.648211 (E_RNA) where: Base-Base interactions energy: -1112.279 where: short stacking energy: -488.232 Base-Backbone interact. energy: -1.508 local terms energy: -494.861580 where: bonds (distance) C4'-P energy: -92.717 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -101.729 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -136.776 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: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1413.672784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.672784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.672784 (E_RNA) where: Base-Base interactions energy: -980.580 where: short stacking energy: -388.277 Base-Backbone interact. energy: -0.461 local terms energy: -432.632278 where: bonds (distance) C4'-P energy: -83.306 bonds (distance) P-C4' energy: -95.071 flat angles C4'-P-C4' energy: -96.681 flat angles P-C4'-P energy: -60.214 tors. eta vs tors. theta energy: -97.361 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: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1254.550372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.550372 (E_RNA) where: Base-Base interactions energy: -868.677 where: short stacking energy: -378.091 Base-Backbone interact. energy: -0.150 local terms energy: -385.723609 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -76.398 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -78.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1011.518573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.518573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.518573 (E_RNA) where: Base-Base interactions energy: -622.491 where: short stacking energy: -282.846 Base-Backbone interact. energy: 0.668 local terms energy: -389.695486 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -86.985 flat angles C4'-P-C4' energy: -92.009 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -65.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -765.815791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.815791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.815791 (E_RNA) where: Base-Base interactions energy: -470.670 where: short stacking energy: -240.768 Base-Backbone interact. energy: 1.046 local terms energy: -296.191693 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -78.464 flat angles C4'-P-C4' energy: -78.171 flat angles P-C4'-P energy: -38.124 tors. eta vs tors. theta energy: -35.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -738.484753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.484753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.484753 (E_RNA) where: Base-Base interactions energy: -432.204 where: short stacking energy: -186.901 Base-Backbone interact. energy: -3.053 local terms energy: -303.227861 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -77.403 flat angles C4'-P-C4' energy: -83.333 flat angles P-C4'-P energy: -33.114 tors. eta vs tors. theta energy: -25.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1801.779315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.779315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.779315 (E_RNA) where: Base-Base interactions energy: -1250.157 where: short stacking energy: -531.203 Base-Backbone interact. energy: -0.389 local terms energy: -551.232988 where: bonds (distance) C4'-P energy: -103.243 bonds (distance) P-C4' energy: -102.336 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -162.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1782.170308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.170308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.170308 (E_RNA) where: Base-Base interactions energy: -1284.986 where: short stacking energy: -507.718 Base-Backbone interact. energy: -3.450 local terms energy: -493.734058 where: bonds (distance) C4'-P energy: -92.056 bonds (distance) P-C4' energy: -97.016 flat angles C4'-P-C4' energy: -100.467 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: -130.624 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: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1711.087014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.087014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.087014 (E_RNA) where: Base-Base interactions energy: -1163.926 where: short stacking energy: -543.640 Base-Backbone interact. energy: -2.621 local terms energy: -544.539199 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -96.943 flat angles C4'-P-C4' energy: -110.359 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -167.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1553.563117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.563117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.563117 (E_RNA) where: Base-Base interactions energy: -1081.189 where: short stacking energy: -443.208 Base-Backbone interact. energy: -2.244 local terms energy: -470.129306 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -108.036 flat angles P-C4'-P energy: -59.784 tors. eta vs tors. theta energy: -122.099 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: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1584.477614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.477614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.477614 (E_RNA) where: Base-Base interactions energy: -1081.531 where: short stacking energy: -476.374 Base-Backbone interact. energy: -1.145 local terms energy: -501.801482 where: bonds (distance) C4'-P energy: -93.544 bonds (distance) P-C4' energy: -99.835 flat angles C4'-P-C4' energy: -108.333 flat angles P-C4'-P energy: -62.432 tors. eta vs tors. theta energy: -137.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1443.783961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.783961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.783961 (E_RNA) where: Base-Base interactions energy: -991.571 where: short stacking energy: -426.822 Base-Backbone interact. energy: -3.182 local terms energy: -449.031172 where: bonds (distance) C4'-P energy: -80.079 bonds (distance) P-C4' energy: -90.458 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -111.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1257.496657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.496657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.496657 (E_RNA) where: Base-Base interactions energy: -846.687 where: short stacking energy: -369.345 Base-Backbone interact. energy: -3.441 local terms energy: -407.368959 where: bonds (distance) C4'-P energy: -77.338 bonds (distance) P-C4' energy: -89.892 flat angles C4'-P-C4' energy: -90.552 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -92.686 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: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1061.273609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.273609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.273609 (E_RNA) where: Base-Base interactions energy: -689.241 where: short stacking energy: -311.275 Base-Backbone interact. energy: 1.705 local terms energy: -373.737143 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -81.256 flat angles C4'-P-C4' energy: -84.809 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: -76.502 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: 492 Temperature: 1.300000 Total energy: -828.809388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.809388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.809388 (E_RNA) where: Base-Base interactions energy: -519.135 where: short stacking energy: -240.501 Base-Backbone interact. energy: 0.029 local terms energy: -309.703844 where: bonds (distance) C4'-P energy: -72.653 bonds (distance) P-C4' energy: -78.788 flat angles C4'-P-C4' energy: -75.687 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -40.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -678.950848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.950848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.950848 (E_RNA) where: Base-Base interactions energy: -394.661 where: short stacking energy: -208.586 Base-Backbone interact. energy: -2.335 local terms energy: -281.955392 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -75.041 flat angles C4'-P-C4' energy: -86.343 flat angles P-C4'-P energy: -35.468 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: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1809.842885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.842885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.842885 (E_RNA) where: Base-Base interactions energy: -1285.885 where: short stacking energy: -560.163 Base-Backbone interact. energy: -1.681 local terms energy: -522.276541 where: bonds (distance) C4'-P energy: -91.687 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -105.182 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -158.356 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: 493 Temperature: 0.950000 Total energy: -1792.359611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.359611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.359611 (E_RNA) where: Base-Base interactions energy: -1284.960 where: short stacking energy: -511.809 Base-Backbone interact. energy: -2.491 local terms energy: -504.908101 where: bonds (distance) C4'-P energy: -82.183 bonds (distance) P-C4' energy: -99.289 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -70.132 tors. eta vs tors. theta energy: -144.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1732.572668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.572668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.572668 (E_RNA) where: Base-Base interactions energy: -1200.889 where: short stacking energy: -538.755 Base-Backbone interact. energy: -2.884 local terms energy: -528.799711 where: bonds (distance) C4'-P energy: -91.549 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -104.652 flat angles P-C4'-P energy: -75.736 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: 4, replica: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1605.615763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.615763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.615763 (E_RNA) where: Base-Base interactions energy: -1137.825 where: short stacking energy: -499.369 Base-Backbone interact. energy: -2.436 local terms energy: -465.355288 where: bonds (distance) C4'-P energy: -76.121 bonds (distance) P-C4' energy: -97.014 flat angles C4'-P-C4' energy: -97.825 flat angles P-C4'-P energy: -58.428 tors. eta vs tors. theta energy: -135.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1526.165882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.165882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.165882 (E_RNA) where: Base-Base interactions energy: -1072.320 where: short stacking energy: -443.808 Base-Backbone interact. energy: 1.909 local terms energy: -455.754923 where: bonds (distance) C4'-P energy: -92.491 bonds (distance) P-C4' energy: -89.466 flat angles C4'-P-C4' energy: -109.211 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -117.222 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: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1471.784115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.784115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.784115 (E_RNA) where: Base-Base interactions energy: -1052.713 where: short stacking energy: -452.158 Base-Backbone interact. energy: -1.459 local terms energy: -417.612113 where: bonds (distance) C4'-P energy: -68.121 bonds (distance) P-C4' energy: -75.690 flat angles C4'-P-C4' energy: -87.365 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -117.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1318.910336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.910336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.910336 (E_RNA) where: Base-Base interactions energy: -906.514 where: short stacking energy: -392.540 Base-Backbone interact. energy: 0.141 local terms energy: -412.538171 where: bonds (distance) C4'-P energy: -90.084 bonds (distance) P-C4' energy: -80.383 flat angles C4'-P-C4' energy: -85.147 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -97.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1049.988306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.988306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.988306 (E_RNA) where: Base-Base interactions energy: -693.581 where: short stacking energy: -305.150 Base-Backbone interact. energy: -0.174 local terms energy: -356.233532 where: bonds (distance) C4'-P energy: -83.855 bonds (distance) P-C4' energy: -77.161 flat angles C4'-P-C4' energy: -78.996 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: -71.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -820.166835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.166835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.166835 (E_RNA) where: Base-Base interactions energy: -474.085 where: short stacking energy: -243.672 Base-Backbone interact. energy: 2.401 local terms energy: -348.482643 where: bonds (distance) C4'-P energy: -80.560 bonds (distance) P-C4' energy: -86.192 flat angles C4'-P-C4' energy: -81.372 flat angles P-C4'-P energy: -61.592 tors. eta vs tors. theta energy: -38.766 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: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -748.987103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.987103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.987103 (E_RNA) where: Base-Base interactions energy: -458.732 where: short stacking energy: -242.717 Base-Backbone interact. energy: 0.914 local terms energy: -291.169152 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -81.835 flat angles C4'-P-C4' energy: -52.248 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: -47.830 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: 494 Temperature: 0.900000 Total energy: -1818.523118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.523118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.523118 (E_RNA) where: Base-Base interactions energy: -1270.350 where: short stacking energy: -522.727 Base-Backbone interact. energy: -0.111 local terms energy: -548.062145 where: bonds (distance) C4'-P energy: -101.515 bonds (distance) P-C4' energy: -93.380 flat angles C4'-P-C4' energy: -116.498 flat angles P-C4'-P energy: -84.510 tors. eta vs tors. theta energy: -152.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1772.946268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.946268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.946268 (E_RNA) where: Base-Base interactions energy: -1265.625 where: short stacking energy: -486.397 Base-Backbone interact. energy: 0.509 local terms energy: -507.830639 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -109.985 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: -137.719 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: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1706.680802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.680802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.680802 (E_RNA) where: Base-Base interactions energy: -1180.424 where: short stacking energy: -513.129 Base-Backbone interact. energy: -1.754 local terms energy: -524.502864 where: bonds (distance) C4'-P energy: -93.478 bonds (distance) P-C4' energy: -98.158 flat angles C4'-P-C4' energy: -115.099 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -144.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1624.659068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.659068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.659068 (E_RNA) where: Base-Base interactions energy: -1131.224 where: short stacking energy: -508.955 Base-Backbone interact. energy: 0.382 local terms energy: -493.817104 where: bonds (distance) C4'-P energy: -85.816 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -108.797 flat angles P-C4'-P energy: -60.204 tors. eta vs tors. theta energy: -147.521 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: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1519.753638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.753638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.753638 (E_RNA) where: Base-Base interactions energy: -1053.447 where: short stacking energy: -456.481 Base-Backbone interact. energy: -1.061 local terms energy: -465.245598 where: bonds (distance) C4'-P energy: -79.906 bonds (distance) P-C4' energy: -86.112 flat angles C4'-P-C4' energy: -104.390 flat angles P-C4'-P energy: -62.809 tors. eta vs tors. theta energy: -132.028 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: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1467.108152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.108152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.108152 (E_RNA) where: Base-Base interactions energy: -1031.863 where: short stacking energy: -398.214 Base-Backbone interact. energy: -3.216 local terms energy: -432.029225 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -89.759 flat angles C4'-P-C4' energy: -96.550 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -104.827 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: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1364.939956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.939956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.939956 (E_RNA) where: Base-Base interactions energy: -937.149 where: short stacking energy: -406.015 Base-Backbone interact. energy: -3.004 local terms energy: -424.787802 where: bonds (distance) C4'-P energy: -75.944 bonds (distance) P-C4' energy: -96.390 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -117.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1055.383996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.383996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.383996 (E_RNA) where: Base-Base interactions energy: -697.573 where: short stacking energy: -321.022 Base-Backbone interact. energy: -1.450 local terms energy: -356.361182 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -70.212 flat angles C4'-P-C4' energy: -83.306 flat angles P-C4'-P energy: -43.450 tors. eta vs tors. theta energy: -72.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -790.551438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.551438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.551438 (E_RNA) where: Base-Base interactions energy: -465.057 where: short stacking energy: -227.635 Base-Backbone interact. energy: 5.238 local terms energy: -330.732721 where: bonds (distance) C4'-P energy: -86.437 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -72.599 flat angles P-C4'-P energy: -48.545 tors. eta vs tors. theta energy: -30.546 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: 494 Temperature: 1.350000 Total energy: -758.382731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.382731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.382731 (E_RNA) where: Base-Base interactions energy: -444.720 where: short stacking energy: -215.061 Base-Backbone interact. energy: 6.618 local terms energy: -320.280574 where: bonds (distance) C4'-P energy: -88.027 bonds (distance) P-C4' energy: -91.779 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -34.127 tors. eta vs tors. theta energy: -35.558 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: 495 Temperature: 0.900000 Total energy: -1820.204790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.204790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.204790 (E_RNA) where: Base-Base interactions energy: -1279.422 where: short stacking energy: -538.672 Base-Backbone interact. energy: -2.359 local terms energy: -538.424115 where: bonds (distance) C4'-P energy: -97.157 bonds (distance) P-C4' energy: -94.887 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -159.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1809.239871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.239871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.239871 (E_RNA) where: Base-Base interactions energy: -1287.925 where: short stacking energy: -508.571 Base-Backbone interact. energy: -2.699 local terms energy: -518.616388 where: bonds (distance) C4'-P energy: -89.040 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -122.361 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -143.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1686.287260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.287260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.287260 (E_RNA) where: Base-Base interactions energy: -1160.690 where: short stacking energy: -503.506 Base-Backbone interact. energy: -1.244 local terms energy: -524.353272 where: bonds (distance) C4'-P energy: -94.205 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -113.857 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -134.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1625.531407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.531407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.531407 (E_RNA) where: Base-Base interactions energy: -1127.471 where: short stacking energy: -492.028 Base-Backbone interact. energy: -1.984 local terms energy: -496.076943 where: bonds (distance) C4'-P energy: -89.962 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -106.256 flat angles P-C4'-P energy: -63.596 tors. eta vs tors. theta energy: -145.763 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: 1 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1473.522356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.522356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.522356 (E_RNA) where: Base-Base interactions energy: -994.118 where: short stacking energy: -434.456 Base-Backbone interact. energy: -0.375 local terms energy: -479.029964 where: bonds (distance) C4'-P energy: -106.730 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -93.684 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -121.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1492.149706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.149706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.149706 (E_RNA) where: Base-Base interactions energy: -1051.265 where: short stacking energy: -427.950 Base-Backbone interact. energy: -0.840 local terms energy: -440.044169 where: bonds (distance) C4'-P energy: -86.809 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -67.995 tors. eta vs tors. theta energy: -122.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1360.402396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.402396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.402396 (E_RNA) where: Base-Base interactions energy: -923.363 where: short stacking energy: -387.628 Base-Backbone interact. energy: 0.464 local terms energy: -437.502928 where: bonds (distance) C4'-P energy: -77.427 bonds (distance) P-C4' energy: -100.819 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -103.081 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: 4 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1053.863048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.863048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.863048 (E_RNA) where: Base-Base interactions energy: -671.232 where: short stacking energy: -297.409 Base-Backbone interact. energy: -0.587 local terms energy: -382.044880 where: bonds (distance) C4'-P energy: -74.203 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -71.824 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: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -803.119595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.119595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.119595 (E_RNA) where: Base-Base interactions energy: -486.707 where: short stacking energy: -255.519 Base-Backbone interact. energy: 2.663 local terms energy: -319.075886 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -77.041 flat angles P-C4'-P energy: -53.857 tors. eta vs tors. theta energy: -45.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -771.671288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.671288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.671288 (E_RNA) where: Base-Base interactions energy: -447.811 where: short stacking energy: -231.767 Base-Backbone interact. energy: -0.593 local terms energy: -323.267688 where: bonds (distance) C4'-P energy: -87.717 bonds (distance) P-C4' energy: -82.252 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -34.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1826.861097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.861097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.861097 (E_RNA) where: Base-Base interactions energy: -1270.480 where: short stacking energy: -525.276 Base-Backbone interact. energy: -1.873 local terms energy: -554.508409 where: bonds (distance) C4'-P energy: -103.163 bonds (distance) P-C4' energy: -97.177 flat angles C4'-P-C4' energy: -121.105 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -155.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1787.828329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.828329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.828329 (E_RNA) where: Base-Base interactions energy: -1280.395 where: short stacking energy: -510.193 Base-Backbone interact. energy: -2.138 local terms energy: -505.295248 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -113.617 flat angles P-C4'-P energy: -75.708 tors. eta vs tors. theta energy: -137.424 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: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1670.015622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.015622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.015622 (E_RNA) where: Base-Base interactions energy: -1149.644 where: short stacking energy: -508.013 Base-Backbone interact. energy: -1.823 local terms energy: -518.548133 where: bonds (distance) C4'-P energy: -84.414 bonds (distance) P-C4' energy: -96.315 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -77.837 tors. eta vs tors. theta energy: -154.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1634.557327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.557327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.557327 (E_RNA) where: Base-Base interactions energy: -1147.079 where: short stacking energy: -501.551 Base-Backbone interact. energy: -0.863 local terms energy: -486.614493 where: bonds (distance) C4'-P energy: -88.962 bonds (distance) P-C4' energy: -84.596 flat angles C4'-P-C4' energy: -115.491 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: -144.205 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: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1494.915211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.915211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.915211 (E_RNA) where: Base-Base interactions energy: -1045.844 where: short stacking energy: -412.963 Base-Backbone interact. energy: -3.111 local terms energy: -445.960376 where: bonds (distance) C4'-P energy: -82.339 bonds (distance) P-C4' energy: -93.442 flat angles C4'-P-C4' energy: -96.216 flat angles P-C4'-P energy: -59.796 tors. eta vs tors. theta energy: -114.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1462.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.237723 (E_RNA) where: Base-Base interactions energy: -999.003 where: short stacking energy: -434.275 Base-Backbone interact. energy: -1.674 local terms energy: -461.561244 where: bonds (distance) C4'-P energy: -80.371 bonds (distance) P-C4' energy: -100.822 flat angles C4'-P-C4' energy: -102.857 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -120.132 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: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1388.280826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.280826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.280826 (E_RNA) where: Base-Base interactions energy: -943.584 where: short stacking energy: -377.772 Base-Backbone interact. energy: -0.511 local terms energy: -444.186001 where: bonds (distance) C4'-P energy: -87.410 bonds (distance) P-C4' energy: -97.639 flat angles C4'-P-C4' energy: -86.373 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -105.125 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: 8, replica: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1126.393774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.393774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.393774 (E_RNA) where: Base-Base interactions energy: -769.613 where: short stacking energy: -316.666 Base-Backbone interact. energy: -0.782 local terms energy: -355.998845 where: bonds (distance) C4'-P energy: -76.930 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -76.601 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -67.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -781.973739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.973739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.973739 (E_RNA) where: Base-Base interactions energy: -479.561 where: short stacking energy: -235.021 Base-Backbone interact. energy: -1.502 local terms energy: -300.910489 where: bonds (distance) C4'-P energy: -72.204 bonds (distance) P-C4' energy: -73.674 flat angles C4'-P-C4' energy: -72.255 flat angles P-C4'-P energy: -46.259 tors. eta vs tors. theta energy: -36.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -804.837970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.837970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.837970 (E_RNA) where: Base-Base interactions energy: -496.702 where: short stacking energy: -224.117 Base-Backbone interact. energy: 1.992 local terms energy: -310.127771 where: bonds (distance) C4'-P energy: -67.730 bonds (distance) P-C4' energy: -94.672 flat angles C4'-P-C4' energy: -63.356 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -40.037 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: 497 Temperature: 0.900000 Total energy: -1809.849393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.849393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.849393 (E_RNA) where: Base-Base interactions energy: -1267.069 where: short stacking energy: -525.365 Base-Backbone interact. energy: 0.298 local terms energy: -543.078805 where: bonds (distance) C4'-P energy: -88.951 bonds (distance) P-C4' energy: -109.781 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -156.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1794.905051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.905051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.905051 (E_RNA) where: Base-Base interactions energy: -1290.961 where: short stacking energy: -508.420 Base-Backbone interact. energy: -0.280 local terms energy: -503.664249 where: bonds (distance) C4'-P energy: -86.255 bonds (distance) P-C4' energy: -97.776 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -77.269 tors. eta vs tors. theta energy: -132.143 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: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1661.017690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.017690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.017690 (E_RNA) where: Base-Base interactions energy: -1139.325 where: short stacking energy: -503.740 Base-Backbone interact. energy: 0.216 local terms energy: -521.908267 where: bonds (distance) C4'-P energy: -90.824 bonds (distance) P-C4' energy: -96.811 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -79.809 tors. eta vs tors. theta energy: -151.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1547.545854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.545854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.545854 (E_RNA) where: Base-Base interactions energy: -1084.860 where: short stacking energy: -444.655 Base-Backbone interact. energy: -4.906 local terms energy: -457.779958 where: bonds (distance) C4'-P energy: -91.228 bonds (distance) P-C4' energy: -83.090 flat angles C4'-P-C4' energy: -102.450 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -119.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1626.817433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.817433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.817433 (E_RNA) where: Base-Base interactions energy: -1126.570 where: short stacking energy: -501.013 Base-Backbone interact. energy: -3.256 local terms energy: -496.991318 where: bonds (distance) C4'-P energy: -81.085 bonds (distance) P-C4' energy: -97.530 flat angles C4'-P-C4' energy: -110.999 flat angles P-C4'-P energy: -61.965 tors. eta vs tors. theta energy: -145.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1426.182958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.182958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.182958 (E_RNA) where: Base-Base interactions energy: -1006.173 where: short stacking energy: -457.176 Base-Backbone interact. energy: -0.975 local terms energy: -419.034773 where: bonds (distance) C4'-P energy: -73.053 bonds (distance) P-C4' energy: -73.491 flat angles C4'-P-C4' energy: -96.057 flat angles P-C4'-P energy: -56.271 tors. eta vs tors. theta energy: -120.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1312.029338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.029338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.029338 (E_RNA) where: Base-Base interactions energy: -898.859 where: short stacking energy: -383.329 Base-Backbone interact. energy: -0.606 local terms energy: -412.565206 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -93.083 flat angles P-C4'-P energy: -51.879 tors. eta vs tors. theta energy: -105.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1089.171173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.171173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.171173 (E_RNA) where: Base-Base interactions energy: -741.117 where: short stacking energy: -325.543 Base-Backbone interact. energy: -1.095 local terms energy: -346.959475 where: bonds (distance) C4'-P energy: -74.130 bonds (distance) P-C4' energy: -74.651 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -66.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -774.524356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.524356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.524356 (E_RNA) where: Base-Base interactions energy: -450.846 where: short stacking energy: -225.925 Base-Backbone interact. energy: -0.948 local terms energy: -322.730575 where: bonds (distance) C4'-P energy: -86.658 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -13.720 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: 497 Temperature: 1.350000 Total energy: -808.678192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.678192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.678192 (E_RNA) where: Base-Base interactions energy: -524.276 where: short stacking energy: -238.055 Base-Backbone interact. energy: -2.059 local terms energy: -282.342663 where: bonds (distance) C4'-P energy: -63.370 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -56.248 flat angles P-C4'-P energy: -54.744 tors. eta vs tors. theta energy: -38.168 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: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1827.928315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.928315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.928315 (E_RNA) where: Base-Base interactions energy: -1310.447 where: short stacking energy: -511.727 Base-Backbone interact. energy: -2.400 local terms energy: -515.081503 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -95.228 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -64.641 tors. eta vs tors. theta energy: -148.834 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: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1768.453464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.453464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.453464 (E_RNA) where: Base-Base interactions energy: -1246.426 where: short stacking energy: -525.291 Base-Backbone interact. energy: -0.004 local terms energy: -522.022784 where: bonds (distance) C4'-P energy: -84.707 bonds (distance) P-C4' energy: -94.498 flat angles C4'-P-C4' energy: -109.862 flat angles P-C4'-P energy: -72.932 tors. eta vs tors. theta energy: -160.024 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: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1670.326502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.326502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.326502 (E_RNA) where: Base-Base interactions energy: -1137.962 where: short stacking energy: -508.777 Base-Backbone interact. energy: 2.992 local terms energy: -535.355553 where: bonds (distance) C4'-P energy: -84.619 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -116.289 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -160.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1572.092013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.092013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.092013 (E_RNA) where: Base-Base interactions energy: -1094.769 where: short stacking energy: -429.901 Base-Backbone interact. energy: -3.006 local terms energy: -474.316063 where: bonds (distance) C4'-P energy: -86.312 bonds (distance) P-C4' energy: -87.941 flat angles C4'-P-C4' energy: -122.277 flat angles P-C4'-P energy: -65.831 tors. eta vs tors. theta energy: -111.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1589.392472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.392472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.392472 (E_RNA) where: Base-Base interactions energy: -1111.744 where: short stacking energy: -489.545 Base-Backbone interact. energy: 0.721 local terms energy: -478.369445 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -108.718 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -144.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1436.767473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.767473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.767473 (E_RNA) where: Base-Base interactions energy: -987.707 where: short stacking energy: -442.029 Base-Backbone interact. energy: -1.563 local terms energy: -447.496949 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -90.031 flat angles C4'-P-C4' energy: -106.205 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: -110.401 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: 7, replica: 5 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1369.456222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.456222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.456222 (E_RNA) where: Base-Base interactions energy: -972.343 where: short stacking energy: -413.302 Base-Backbone interact. energy: -1.966 local terms energy: -395.147182 where: bonds (distance) C4'-P energy: -79.667 bonds (distance) P-C4' energy: -73.615 flat angles C4'-P-C4' energy: -92.906 flat angles P-C4'-P energy: -52.214 tors. eta vs tors. theta energy: -96.745 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: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1089.132166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.132166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.132166 (E_RNA) where: Base-Base interactions energy: -737.462 where: short stacking energy: -326.546 Base-Backbone interact. energy: -3.582 local terms energy: -348.088303 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -78.160 flat angles C4'-P-C4' energy: -78.341 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -67.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -868.967276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.967276 (E_RNA) where: Base-Base interactions energy: -538.304 where: short stacking energy: -256.854 Base-Backbone interact. energy: 5.657 local terms energy: -336.320102 where: bonds (distance) C4'-P energy: -83.154 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -67.499 flat angles P-C4'-P energy: -57.947 tors. eta vs tors. theta energy: -48.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -741.171929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.171929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.171929 (E_RNA) where: Base-Base interactions energy: -430.532 where: short stacking energy: -215.802 Base-Backbone interact. energy: -1.215 local terms energy: -309.424938 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -36.604 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: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1818.238048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.238048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.238048 (E_RNA) where: Base-Base interactions energy: -1292.494 where: short stacking energy: -507.041 Base-Backbone interact. energy: -3.135 local terms energy: -522.608623 where: bonds (distance) C4'-P energy: -94.458 bonds (distance) P-C4' energy: -108.194 flat angles C4'-P-C4' energy: -104.939 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -140.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1775.029417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.029417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.029417 (E_RNA) where: Base-Base interactions energy: -1233.830 where: short stacking energy: -518.057 Base-Backbone interact. energy: -1.067 local terms energy: -540.132308 where: bonds (distance) C4'-P energy: -90.223 bonds (distance) P-C4' energy: -105.219 flat angles C4'-P-C4' energy: -112.732 flat angles P-C4'-P energy: -75.284 tors. eta vs tors. theta energy: -156.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1636.308152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.308152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.308152 (E_RNA) where: Base-Base interactions energy: -1102.715 where: short stacking energy: -506.748 Base-Backbone interact. energy: -2.803 local terms energy: -530.789609 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -103.391 flat angles C4'-P-C4' energy: -115.516 flat angles P-C4'-P energy: -68.736 tors. eta vs tors. theta energy: -146.928 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: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1626.701043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.701043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.701043 (E_RNA) where: Base-Base interactions energy: -1126.380 where: short stacking energy: -500.945 Base-Backbone interact. energy: -1.181 local terms energy: -499.140502 where: bonds (distance) C4'-P energy: -77.924 bonds (distance) P-C4' energy: -97.225 flat angles C4'-P-C4' energy: -96.424 flat angles P-C4'-P energy: -78.477 tors. eta vs tors. theta energy: -149.091 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: 5, replica: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1521.846930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.846930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.846930 (E_RNA) where: Base-Base interactions energy: -1063.905 where: short stacking energy: -435.443 Base-Backbone interact. energy: -2.948 local terms energy: -454.994384 where: bonds (distance) C4'-P energy: -82.668 bonds (distance) P-C4' energy: -102.731 flat angles C4'-P-C4' energy: -100.700 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -112.587 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: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1404.693904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.693904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.693904 (E_RNA) where: Base-Base interactions energy: -979.119 where: short stacking energy: -420.894 Base-Backbone interact. energy: 1.833 local terms energy: -427.407050 where: bonds (distance) C4'-P energy: -89.197 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -52.215 tors. eta vs tors. theta energy: -115.840 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: 499 Temperature: 1.200000 Total energy: -1311.080339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.080339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.080339 (E_RNA) where: Base-Base interactions energy: -885.999 where: short stacking energy: -376.922 Base-Backbone interact. energy: 0.061 local terms energy: -425.142359 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -95.403 flat angles C4'-P-C4' energy: -89.601 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: -96.902 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: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1118.522161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.522161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.522161 (E_RNA) where: Base-Base interactions energy: -758.026 where: short stacking energy: -320.943 Base-Backbone interact. energy: 0.467 local terms energy: -360.963107 where: bonds (distance) C4'-P energy: -78.874 bonds (distance) P-C4' energy: -72.408 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: -62.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -845.921851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.921851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.921851 (E_RNA) where: Base-Base interactions energy: -523.857 where: short stacking energy: -247.613 Base-Backbone interact. energy: -0.067 local terms energy: -321.997592 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -69.751 flat angles C4'-P-C4' energy: -84.665 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: -45.372 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: 10, replica: 6 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -701.970998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.970998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.970998 (E_RNA) where: Base-Base interactions energy: -410.037 where: short stacking energy: -197.535 Base-Backbone interact. energy: -0.277 local terms energy: -291.656963 where: bonds (distance) C4'-P energy: -90.246 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -58.039 flat angles P-C4'-P energy: -38.158 tors. eta vs tors. theta energy: -24.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1786.415691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.415691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.415691 (E_RNA) where: Base-Base interactions energy: -1254.015 where: short stacking energy: -558.493 Base-Backbone interact. energy: -1.519 local terms energy: -530.881360 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -110.460 flat angles P-C4'-P energy: -71.714 tors. eta vs tors. theta energy: -155.795 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: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1782.311552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.311552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.311552 (E_RNA) where: Base-Base interactions energy: -1241.147 where: short stacking energy: -503.754 Base-Backbone interact. energy: -3.859 local terms energy: -537.305483 where: bonds (distance) C4'-P energy: -101.848 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -151.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1678.693384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.693384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.693384 (E_RNA) where: Base-Base interactions energy: -1173.330 where: short stacking energy: -519.237 Base-Backbone interact. energy: -0.244 local terms energy: -505.119477 where: bonds (distance) C4'-P energy: -90.811 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -108.851 flat angles P-C4'-P energy: -79.605 tors. eta vs tors. theta energy: -145.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1596.162277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.162277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.162277 (E_RNA) where: Base-Base interactions energy: -1115.928 where: short stacking energy: -488.781 Base-Backbone interact. energy: -1.184 local terms energy: -479.050537 where: bonds (distance) C4'-P energy: -91.252 bonds (distance) P-C4' energy: -81.479 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -136.724 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: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1495.670304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.670304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.670304 (E_RNA) where: Base-Base interactions energy: -1030.889 where: short stacking energy: -426.459 Base-Backbone interact. energy: 4.053 local terms energy: -468.834603 where: bonds (distance) C4'-P energy: -95.464 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -103.979 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -109.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1445.395926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.395926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.395926 (E_RNA) where: Base-Base interactions energy: -997.392 where: short stacking energy: -424.429 Base-Backbone interact. energy: -2.315 local terms energy: -445.688256 where: bonds (distance) C4'-P energy: -97.636 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -51.281 tors. eta vs tors. theta energy: -124.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1280.138119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.138119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.138119 (E_RNA) where: Base-Base interactions energy: -856.472 where: short stacking energy: -384.476 Base-Backbone interact. energy: 0.938 local terms energy: -424.604362 where: bonds (distance) C4'-P energy: -88.420 bonds (distance) P-C4' energy: -87.338 flat angles C4'-P-C4' energy: -93.980 flat angles P-C4'-P energy: -60.135 tors. eta vs tors. theta energy: -94.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1161.101308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.101308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.101308 (E_RNA) where: Base-Base interactions energy: -797.970 where: short stacking energy: -341.514 Base-Backbone interact. energy: -3.348 local terms energy: -359.783227 where: bonds (distance) C4'-P energy: -75.705 bonds (distance) P-C4' energy: -89.137 flat angles C4'-P-C4' energy: -72.908 flat angles P-C4'-P energy: -44.023 tors. eta vs tors. theta energy: -78.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -874.039333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.039333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.039333 (E_RNA) where: Base-Base interactions energy: -532.980 where: short stacking energy: -251.215 Base-Backbone interact. energy: -2.453 local terms energy: -338.607202 where: bonds (distance) C4'-P energy: -65.106 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -100.639 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -51.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -678.687840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.687840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.687840 (E_RNA) where: Base-Base interactions energy: -390.873 where: short stacking energy: -196.250 Base-Backbone interact. energy: 0.159 local terms energy: -287.973914 where: bonds (distance) C4'-P energy: -73.473 bonds (distance) P-C4' energy: -79.698 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -50.622 tors. eta vs tors. theta energy: -13.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1769.115198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.115198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.115198 (E_RNA) where: Base-Base interactions energy: -1221.823 where: short stacking energy: -515.500 Base-Backbone interact. energy: -1.646 local terms energy: -545.645781 where: bonds (distance) C4'-P energy: -97.722 bonds (distance) P-C4' energy: -104.950 flat angles C4'-P-C4' energy: -115.822 flat angles P-C4'-P energy: -73.337 tors. eta vs tors. theta energy: -153.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1793.709010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.709010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.709010 (E_RNA) where: Base-Base interactions energy: -1294.955 where: short stacking energy: -513.388 Base-Backbone interact. energy: -3.763 local terms energy: -494.991676 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -93.756 flat angles C4'-P-C4' energy: -109.486 flat angles P-C4'-P energy: -68.521 tors. eta vs tors. theta energy: -137.569 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: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1666.887151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.887151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.887151 (E_RNA) where: Base-Base interactions energy: -1157.804 where: short stacking energy: -498.246 Base-Backbone interact. energy: -1.467 local terms energy: -507.616637 where: bonds (distance) C4'-P energy: -79.740 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -83.756 tors. eta vs tors. theta energy: -145.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1588.977459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.977459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.977459 (E_RNA) where: Base-Base interactions energy: -1104.127 where: short stacking energy: -493.305 Base-Backbone interact. energy: 1.217 local terms energy: -486.066933 where: bonds (distance) C4'-P energy: -82.242 bonds (distance) P-C4' energy: -89.031 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -64.835 tors. eta vs tors. theta energy: -141.693 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: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1561.666441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.666441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.666441 (E_RNA) where: Base-Base interactions energy: -1106.417 where: short stacking energy: -434.832 Base-Backbone interact. energy: 2.094 local terms energy: -457.343074 where: bonds (distance) C4'-P energy: -85.498 bonds (distance) P-C4' energy: -106.775 flat angles C4'-P-C4' energy: -88.885 flat angles P-C4'-P energy: -54.422 tors. eta vs tors. theta energy: -121.762 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: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1501.510013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.510013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.510013 (E_RNA) where: Base-Base interactions energy: -1033.288 where: short stacking energy: -440.279 Base-Backbone interact. energy: 0.049 local terms energy: -468.271506 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -90.487 flat angles C4'-P-C4' energy: -104.390 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -124.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1258.264413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.264413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.264413 (E_RNA) where: Base-Base interactions energy: -860.455 where: short stacking energy: -372.872 Base-Backbone interact. energy: -0.416 local terms energy: -397.393048 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -82.728 flat angles P-C4'-P energy: -58.946 tors. eta vs tors. theta energy: -85.078 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: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1156.616487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.616487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.616487 (E_RNA) where: Base-Base interactions energy: -760.459 where: short stacking energy: -352.600 Base-Backbone interact. energy: -2.581 local terms energy: -393.576562 where: bonds (distance) C4'-P energy: -82.482 bonds (distance) P-C4' energy: -88.463 flat angles C4'-P-C4' energy: -92.841 flat angles P-C4'-P energy: -51.030 tors. eta vs tors. theta energy: -78.761 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: 9 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -824.997929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.997929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.997929 (E_RNA) where: Base-Base interactions energy: -481.762 where: short stacking energy: -226.102 Base-Backbone interact. energy: 2.139 local terms energy: -345.375076 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -87.612 flat angles C4'-P-C4' energy: -88.841 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -37.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -715.813641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.813641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.813641 (E_RNA) where: Base-Base interactions energy: -419.855 where: short stacking energy: -211.617 Base-Backbone interact. energy: -0.975 local terms energy: -294.984332 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -90.523 flat angles C4'-P-C4' energy: -72.614 flat angles P-C4'-P energy: -30.954 tors. eta vs tors. theta energy: -23.773 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 94224545 moves confirmed later: 106826340 all moves confirmed: 201050885 percent of confirmed moves: 25.131361 current total energy: -1692.003258 recalc. total energy: -1692.003258 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 76677409 moves confirmed later: 84305200 all moves confirmed: 160982609 percent of confirmed moves: 20.122826 current total energy: -1685.517947 recalc. total energy: -1685.517947 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 88166093 moves confirmed later: 98849066 all moves confirmed: 187015159 percent of confirmed moves: 23.376895 current total energy: -1608.511289 recalc. total energy: -1608.511289 replica 10 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 90428423 moves confirmed later: 101315869 all moves confirmed: 191744292 percent of confirmed moves: 23.968037 current total energy: -1489.285090 recalc. total energy: -1489.285090 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 78323026 moves confirmed later: 85829447 all moves confirmed: 164152473 percent of confirmed moves: 20.519059 current total energy: -1443.411287 recalc. total energy: -1443.411287 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 126495312 moves confirmed later: 149100491 all moves confirmed: 275595803 percent of confirmed moves: 34.449475 current total energy: -1408.855025 recalc. total energy: -1408.855025 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 153151150 moves confirmed later: 183641600 all moves confirmed: 336792750 percent of confirmed moves: 42.099094 current total energy: -1090.441645 recalc. total energy: -1090.441645 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 98587356 moves confirmed later: 112547022 all moves confirmed: 211134378 percent of confirmed moves: 26.391797 current total energy: -993.690468 recalc. total energy: -993.690468 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 128404476 moves confirmed later: 151152847 all moves confirmed: 279557323 percent of confirmed moves: 34.944665 current total energy: -634.546186 recalc. total energy: -634.546186 replica 6 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 121971115 moves confirmed later: 143364088 all moves confirmed: 265335203 percent of confirmed moves: 33.166900 current total energy: -552.670929 recalc. total energy: -552.670929 out arg RESULTS//1/metZ-af5ff4ea_01 Time of doing 8000000 iterations: 25992.424 seconds